NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
35248 |
1la8   |
cing | 2-parsed | STAR | entry | full | 417 |
data_1la8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1la8
_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_1la8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1la8
_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 1la8 "Master copy" parsed_1la8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1la8
_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 1la8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1la8 1
1 1la8.mr . . XPLOR/CNS 2 distance NOE simple 129 parsed_1la8 1
1 1la8.mr . . XPLOR/CNS 3 distance NOE simple 77 parsed_1la8 1
1 1la8.mr . . XPLOR/CNS 4 distance NOE simple 63 parsed_1la8 1
1 1la8.mr . . XPLOR/CNS 5 distance NOE simple 39 parsed_1la8 1
1 1la8.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1la8 1
1 1la8.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 33 parsed_1la8 1
1 1la8.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1la8 1
1 1la8.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 66 parsed_1la8 1
1 1la8.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1la8 1
1 1la8.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 10 parsed_1la8 1
1 1la8.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1la8 1
1 1la8.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1la8 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_1la8
_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 1LA8
*TITLE SOLUTION STRUCTURE OF THE DNA HAIRPIN 13-MER CGCGGTGTCCGCG
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5'-D(*CP*GP*CP*GP*GP*TP*GP*TP*CP*CP*GP*CP*G)-3';
*COMPND 3 CHAIN: A;
*COMPND 4 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, THREE BASE LOOP
*EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR J.P.WEISENSEEL, G.R.REDDY, L.J.MARNETT, M.P.STONE
*REVDAT 1 17-APR-02 1LA8 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1la8
_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_1la8 1
2 1 . . . parsed_1la8 1
3 1 . . . parsed_1la8 1
4 1 . . . parsed_1la8 1
5 1 . . . parsed_1la8 1
6 1 . . . parsed_1la8 1
7 1 . . . parsed_1la8 1
8 1 . . . parsed_1la8 1
9 1 . . . parsed_1la8 1
10 1 . . . parsed_1la8 1
11 1 . . . parsed_1la8 1
12 1 . . . parsed_1la8 1
13 1 . . . parsed_1la8 1
14 1 . . . parsed_1la8 1
15 1 . . . parsed_1la8 1
16 1 . . . parsed_1la8 1
17 1 . . . parsed_1la8 1
18 1 . . . parsed_1la8 1
19 1 . . . parsed_1la8 1
20 1 . . . parsed_1la8 1
21 1 . . . parsed_1la8 1
22 1 . . . parsed_1la8 1
23 1 . . . parsed_1la8 1
24 1 . . . parsed_1la8 1
25 1 . . . parsed_1la8 1
26 1 . . . parsed_1la8 1
27 1 . . . parsed_1la8 1
28 1 . . . parsed_1la8 1
29 1 . . . parsed_1la8 1
30 1 . . . parsed_1la8 1
31 1 . . . parsed_1la8 1
32 1 . . . parsed_1la8 1
33 1 . . . parsed_1la8 1
34 1 . . . parsed_1la8 1
35 1 . . . parsed_1la8 1
36 1 . . . parsed_1la8 1
37 1 . . . parsed_1la8 1
38 1 . . . parsed_1la8 1
39 1 . . . parsed_1la8 1
40 1 . . . parsed_1la8 1
41 1 . . . parsed_1la8 1
42 1 . . . parsed_1la8 1
43 1 . . . parsed_1la8 1
44 1 . . . parsed_1la8 1
45 1 . . . parsed_1la8 1
46 1 . . . parsed_1la8 1
47 1 . . . parsed_1la8 1
48 1 . . . parsed_1la8 1
49 1 . . . parsed_1la8 1
50 1 . . . parsed_1la8 1
51 1 . . . parsed_1la8 1
52 1 . . . parsed_1la8 1
53 1 . . . parsed_1la8 1
54 1 . . . parsed_1la8 1
55 1 . . . parsed_1la8 1
56 1 . . . parsed_1la8 1
57 1 . . . parsed_1la8 1
58 1 . . . parsed_1la8 1
59 1 . . . parsed_1la8 1
60 1 . . . parsed_1la8 1
61 1 . . . parsed_1la8 1
62 1 . . . parsed_1la8 1
63 1 . . . parsed_1la8 1
64 1 . . . parsed_1la8 1
65 1 . . . parsed_1la8 1
66 1 . . . parsed_1la8 1
67 1 . . . parsed_1la8 1
68 1 . . . parsed_1la8 1
69 1 . . . parsed_1la8 1
70 1 . . . parsed_1la8 1
71 1 . . . parsed_1la8 1
72 1 . . . parsed_1la8 1
73 1 . . . parsed_1la8 1
74 1 . . . parsed_1la8 1
75 1 . . . parsed_1la8 1
76 1 . . . parsed_1la8 1
77 1 . . . parsed_1la8 1
78 1 . . . parsed_1la8 1
79 1 . . . parsed_1la8 1
80 1 . . . parsed_1la8 1
81 1 . . . parsed_1la8 1
82 1 . . . parsed_1la8 1
83 1 . . . parsed_1la8 1
84 1 . . . parsed_1la8 1
85 1 . . . parsed_1la8 1
86 1 . . . parsed_1la8 1
87 1 . . . parsed_1la8 1
88 1 . . . parsed_1la8 1
89 1 . . . parsed_1la8 1
90 1 . . . parsed_1la8 1
91 1 . . . parsed_1la8 1
92 1 . . . parsed_1la8 1
93 1 . . . parsed_1la8 1
94 1 . . . parsed_1la8 1
95 1 . . . parsed_1la8 1
96 1 . . . parsed_1la8 1
97 1 . . . parsed_1la8 1
98 1 . . . parsed_1la8 1
99 1 . . . parsed_1la8 1
100 1 . . . parsed_1la8 1
101 1 . . . parsed_1la8 1
102 1 . . . parsed_1la8 1
103 1 . . . parsed_1la8 1
104 1 . . . parsed_1la8 1
105 1 . . . parsed_1la8 1
106 1 . . . parsed_1la8 1
107 1 . . . parsed_1la8 1
108 1 . . . parsed_1la8 1
109 1 . . . parsed_1la8 1
110 1 . . . parsed_1la8 1
111 1 . . . parsed_1la8 1
112 1 . . . parsed_1la8 1
113 1 . . . parsed_1la8 1
114 1 . . . parsed_1la8 1
115 1 . . . parsed_1la8 1
116 1 . . . parsed_1la8 1
117 1 . . . parsed_1la8 1
118 1 . . . parsed_1la8 1
119 1 . . . parsed_1la8 1
120 1 . . . parsed_1la8 1
121 1 . . . parsed_1la8 1
122 1 . . . parsed_1la8 1
123 1 . . . parsed_1la8 1
124 1 . . . parsed_1la8 1
125 1 . . . parsed_1la8 1
126 1 . . . parsed_1la8 1
127 1 . . . parsed_1la8 1
128 1 . . . parsed_1la8 1
129 1 . . . parsed_1la8 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_1la8 1
1 1 2 . . . . . . . . . 1 . H6 parsed_1la8 1
2 1 1 . . . . . . . . . 1 . H5 parsed_1la8 1
2 1 2 . . . . . . . . . 1 . H2' parsed_1la8 1
3 1 1 . . . . . . . . . 1 . H5' parsed_1la8 1
3 1 1 . . . . . . . . . 1 . H5'' parsed_1la8 1
3 1 2 . . . . . . . . . 1 . H2' parsed_1la8 1
4 1 1 . . . . . . . . . 2 . H8 parsed_1la8 1
4 1 2 . . . . . . . . . 1 . H1' parsed_1la8 1
5 1 1 . . . . . . . . . 2 . H8 parsed_1la8 1
5 1 2 . . . . . . . . . 1 . H2' parsed_1la8 1
6 1 1 . . . . . . . . . 2 . H8 parsed_1la8 1
6 1 2 . . . . . . . . . 1 . H2'' parsed_1la8 1
7 1 1 . . . . . . . . . 2 . H3' parsed_1la8 1
7 1 2 . . . . . . . . . 2 . H8 parsed_1la8 1
8 1 1 . . . . . . . . . 2 . H4' parsed_1la8 1
8 1 2 . . . . . . . . . 2 . H8 parsed_1la8 1
9 1 1 . . . . . . . . . 2 . H5' parsed_1la8 1
9 1 2 . . . . . . . . . 2 . H8 parsed_1la8 1
10 1 1 . . . . . . . . . 2 . H5'' parsed_1la8 1
10 1 2 . . . . . . . . . 2 . H8 parsed_1la8 1
11 1 1 . . . . . . . . . 2 . H8 parsed_1la8 1
11 1 2 . . . . . . . . . 2 . H1' parsed_1la8 1
12 1 1 . . . . . . . . . 3 . H5 parsed_1la8 1
12 1 2 . . . . . . . . . 2 . H8 parsed_1la8 1
13 1 1 . . . . . . . . . 3 . H2' parsed_1la8 1
13 1 2 . . . . . . . . . 3 . H5 parsed_1la8 1
14 1 1 . . . . . . . . . 3 . H2'' parsed_1la8 1
14 1 2 . . . . . . . . . 3 . H6 parsed_1la8 1
15 1 1 . . . . . . . . . 3 . H6 parsed_1la8 1
15 1 2 . . . . . . . . . 4 . H8 parsed_1la8 1
16 1 1 . . . . . . . . . 4 . H8 parsed_1la8 1
16 1 2 . . . . . . . . . 3 . H1' parsed_1la8 1
17 1 1 . . . . . . . . . 4 . H8 parsed_1la8 1
17 1 2 . . . . . . . . . 3 . H2' parsed_1la8 1
18 1 1 . . . . . . . . . 4 . H8 parsed_1la8 1
18 1 2 . . . . . . . . . 3 . H2'' parsed_1la8 1
19 1 1 . . . . . . . . . 4 . H8 parsed_1la8 1
19 1 2 . . . . . . . . . 3 . H3' parsed_1la8 1
20 1 1 . . . . . . . . . 4 . H3' parsed_1la8 1
20 1 2 . . . . . . . . . 4 . H5'' parsed_1la8 1
21 1 1 . . . . . . . . . 4 . H3' parsed_1la8 1
21 1 2 . . . . . . . . . 4 . H8 parsed_1la8 1
22 1 1 . . . . . . . . . 4 . H4' parsed_1la8 1
22 1 2 . . . . . . . . . 4 . H1' parsed_1la8 1
23 1 1 . . . . . . . . . 4 . H4' parsed_1la8 1
23 1 2 . . . . . . . . . 4 . H3' parsed_1la8 1
24 1 1 . . . . . . . . . 4 . H4' parsed_1la8 1
24 1 2 . . . . . . . . . 4 . H8 parsed_1la8 1
25 1 1 . . . . . . . . . 4 . H2' parsed_1la8 1
25 1 1 . . . . . . . . . 4 . H2'' parsed_1la8 1
25 1 2 . . . . . . . . . 4 . H4' parsed_1la8 1
26 1 1 . . . . . . . . . 4 . H8 parsed_1la8 1
26 1 2 . . . . . . . . . 4 . H1' parsed_1la8 1
27 1 1 . . . . . . . . . 4 . H2' parsed_1la8 1
27 1 1 . . . . . . . . . 4 . H2'' parsed_1la8 1
27 1 2 . . . . . . . . . 4 . H1' parsed_1la8 1
28 1 1 . . . . . . . . . 4 . H2' parsed_1la8 1
28 1 1 . . . . . . . . . 4 . H2'' parsed_1la8 1
28 1 2 . . . . . . . . . 4 . H8 parsed_1la8 1
29 1 1 . . . . . . . . . 5 . H5' parsed_1la8 1
29 1 2 . . . . . . . . . 4 . H1' parsed_1la8 1
30 1 1 . . . . . . . . . 5 . H8 parsed_1la8 1
30 1 2 . . . . . . . . . 4 . H1' parsed_1la8 1
31 1 1 . . . . . . . . . 5 . H3' parsed_1la8 1
31 1 2 . . . . . . . . . 5 . H1' parsed_1la8 1
32 1 1 . . . . . . . . . 5 . H3' parsed_1la8 1
32 1 2 . . . . . . . . . 5 . H8 parsed_1la8 1
33 1 1 . . . . . . . . . 5 . H4' parsed_1la8 1
33 1 2 . . . . . . . . . 5 . H1' parsed_1la8 1
34 1 1 . . . . . . . . . 5 . H4' parsed_1la8 1
34 1 2 . . . . . . . . . 5 . H8 parsed_1la8 1
35 1 1 . . . . . . . . . 5 . H4' parsed_1la8 1
35 1 2 . . . . . . . . . 6 . H6 parsed_1la8 1
36 1 1 . . . . . . . . . 5 . H4' parsed_1la8 1
36 1 2 . . . . . . . . . 6 . H5# parsed_1la8 1
37 1 1 . . . . . . . . . 6 . H6 parsed_1la8 1
37 1 2 . . . . . . . . . 5 . H3' parsed_1la8 1
38 1 1 . . . . . . . . . 6 . H5# parsed_1la8 1
38 1 2 . . . . . . . . . 5 . H8 parsed_1la8 1
39 1 1 . . . . . . . . . 6 . H1' parsed_1la8 1
39 1 2 . . . . . . . . . 6 . H4' parsed_1la8 1
40 1 1 . . . . . . . . . 6 . H2' parsed_1la8 1
40 1 2 . . . . . . . . . 6 . H1' parsed_1la8 1
41 1 1 . . . . . . . . . 6 . H2' parsed_1la8 1
41 1 2 . . . . . . . . . 6 . H4' parsed_1la8 1
42 1 1 . . . . . . . . . 6 . H2' parsed_1la8 1
42 1 2 . . . . . . . . . 6 . H6 parsed_1la8 1
43 1 1 . . . . . . . . . 6 . H3' parsed_1la8 1
43 1 2 . . . . . . . . . 6 . H6 parsed_1la8 1
44 1 1 . . . . . . . . . 6 . H6 parsed_1la8 1
44 1 2 . . . . . . . . . 6 . H1' parsed_1la8 1
45 1 1 . . . . . . . . . 6 . H6 parsed_1la8 1
45 1 2 . . . . . . . . . 6 . H4' parsed_1la8 1
46 1 1 . . . . . . . . . 6 . H5# parsed_1la8 1
46 1 2 . . . . . . . . . 6 . H6 parsed_1la8 1
47 1 1 . . . . . . . . . 6 . H5' parsed_1la8 1
47 1 2 . . . . . . . . . 7 . H8 parsed_1la8 1
48 1 1 . . . . . . . . . 6 . H5'' parsed_1la8 1
48 1 2 . . . . . . . . . 7 . H8 parsed_1la8 1
49 1 1 . . . . . . . . . 7 . H8 parsed_1la8 1
49 1 2 . . . . . . . . . 5 . H1' parsed_1la8 1
50 1 1 . . . . . . . . . 7 . H8 parsed_1la8 1
50 1 2 . . . . . . . . . 6 . H2' parsed_1la8 1
51 1 1 . . . . . . . . . 7 . H8 parsed_1la8 1
51 1 2 . . . . . . . . . 6 . H4' parsed_1la8 1
52 1 1 . . . . . . . . . 7 . H5' parsed_1la8 1
52 1 1 . . . . . . . . . 7 . H5'' parsed_1la8 1
52 1 2 . . . . . . . . . 6 . H1' parsed_1la8 1
53 1 1 . . . . . . . . . 7 . H4' parsed_1la8 1
53 1 2 . . . . . . . . . 7 . H8 parsed_1la8 1
54 1 1 . . . . . . . . . 7 . H8 parsed_1la8 1
54 1 2 . . . . . . . . . 7 . H1' parsed_1la8 1
55 1 1 . . . . . . . . . 7 . H4' parsed_1la8 1
55 1 2 . . . . . . . . . 8 . H6 parsed_1la8 1
56 1 1 . . . . . . . . . 8 . H5# parsed_1la8 1
56 1 2 . . . . . . . . . 7 . H2' parsed_1la8 1
57 1 1 . . . . . . . . . 8 . H5# parsed_1la8 1
57 1 2 . . . . . . . . . 7 . H2'' parsed_1la8 1
58 1 1 . . . . . . . . . 8 . H5' parsed_1la8 1
58 1 2 . . . . . . . . . 7 . H2'' parsed_1la8 1
59 1 1 . . . . . . . . . 8 . H5' parsed_1la8 1
59 1 2 . . . . . . . . . 7 . H1' parsed_1la8 1
60 1 1 . . . . . . . . . 8 . H4' parsed_1la8 1
60 1 2 . . . . . . . . . 7 . H1' parsed_1la8 1
61 1 1 . . . . . . . . . 8 . H6 parsed_1la8 1
61 1 2 . . . . . . . . . 7 . H1' parsed_1la8 1
62 1 1 . . . . . . . . . 8 . H5# parsed_1la8 1
62 1 2 . . . . . . . . . 7 . H1' parsed_1la8 1
63 1 1 . . . . . . . . . 8 . H5# parsed_1la8 1
63 1 2 . . . . . . . . . 7 . H8 parsed_1la8 1
64 1 1 . . . . . . . . . 8 . H2' parsed_1la8 1
64 1 2 . . . . . . . . . 8 . H1' parsed_1la8 1
65 1 1 . . . . . . . . . 8 . H2' parsed_1la8 1
65 1 2 . . . . . . . . . 8 . H6 parsed_1la8 1
66 1 1 . . . . . . . . . 8 . H2'' parsed_1la8 1
66 1 2 . . . . . . . . . 8 . H1' parsed_1la8 1
67 1 1 . . . . . . . . . 8 . H2'' parsed_1la8 1
67 1 2 . . . . . . . . . 8 . H6 parsed_1la8 1
68 1 1 . . . . . . . . . 8 . H4' parsed_1la8 1
68 1 2 . . . . . . . . . 8 . H1' parsed_1la8 1
69 1 1 . . . . . . . . . 8 . H4' parsed_1la8 1
69 1 2 . . . . . . . . . 8 . H6 parsed_1la8 1
70 1 1 . . . . . . . . . 8 . H6 parsed_1la8 1
70 1 2 . . . . . . . . . 8 . H1' parsed_1la8 1
71 1 1 . . . . . . . . . 8 . H6 parsed_1la8 1
71 1 2 . . . . . . . . . 8 . H5' parsed_1la8 1
72 1 1 . . . . . . . . . 8 . H6 parsed_1la8 1
72 1 2 . . . . . . . . . 8 . H5'' parsed_1la8 1
73 1 1 . . . . . . . . . 8 . H5# parsed_1la8 1
73 1 2 . . . . . . . . . 8 . H6 parsed_1la8 1
74 1 1 . . . . . . . . . 8 . H4' parsed_1la8 1
74 1 2 . . . . . . . . . 9 . H1' parsed_1la8 1
75 1 1 . . . . . . . . . 8 . H4' parsed_1la8 1
75 1 2 . . . . . . . . . 9 . H5 parsed_1la8 1
76 1 1 . . . . . . . . . 9 . H2' parsed_1la8 1
76 1 2 . . . . . . . . . 9 . H1' parsed_1la8 1
77 1 1 . . . . . . . . . 9 . H2' parsed_1la8 1
77 1 2 . . . . . . . . . 9 . H5 parsed_1la8 1
78 1 1 . . . . . . . . . 9 . H2' parsed_1la8 1
78 1 2 . . . . . . . . . 9 . H6 parsed_1la8 1
79 1 1 . . . . . . . . . 9 . H2'' parsed_1la8 1
79 1 2 . . . . . . . . . 9 . H1' parsed_1la8 1
80 1 1 . . . . . . . . . 9 . H4' parsed_1la8 1
80 1 2 . . . . . . . . . 9 . H1' parsed_1la8 1
81 1 1 . . . . . . . . . 9 . H4' parsed_1la8 1
81 1 2 . . . . . . . . . 9 . H2'' parsed_1la8 1
82 1 1 . . . . . . . . . 9 . H4' parsed_1la8 1
82 1 2 . . . . . . . . . 9 . H6 parsed_1la8 1
83 1 1 . . . . . . . . . 9 . H6 parsed_1la8 1
83 1 2 . . . . . . . . . 9 . H5'' parsed_1la8 1
84 1 1 . . . . . . . . . 10 . H6 parsed_1la8 1
84 1 2 . . . . . . . . . 9 . H1' parsed_1la8 1
85 1 1 . . . . . . . . . 10 . H6 parsed_1la8 1
85 1 2 . . . . . . . . . 9 . H2' parsed_1la8 1
86 1 1 . . . . . . . . . 10 . H6 parsed_1la8 1
86 1 2 . . . . . . . . . 9 . H2'' parsed_1la8 1
87 1 1 . . . . . . . . . 10 . H5' parsed_1la8 1
87 1 1 . . . . . . . . . 10 . H5'' parsed_1la8 1
87 1 2 . . . . . . . . . 9 . H1' parsed_1la8 1
88 1 1 . . . . . . . . . 10 . H1' parsed_1la8 1
88 1 2 . . . . . . . . . 10 . H4' parsed_1la8 1
89 1 1 . . . . . . . . . 10 . H2' parsed_1la8 1
89 1 2 . . . . . . . . . 10 . H1' parsed_1la8 1
90 1 1 . . . . . . . . . 10 . H2' parsed_1la8 1
90 1 2 . . . . . . . . . 10 . H6 parsed_1la8 1
91 1 1 . . . . . . . . . 10 . H2'' parsed_1la8 1
91 1 2 . . . . . . . . . 10 . H1' parsed_1la8 1
92 1 1 . . . . . . . . . 10 . H2'' parsed_1la8 1
92 1 2 . . . . . . . . . 10 . H6 parsed_1la8 1
93 1 1 . . . . . . . . . 10 . H3' parsed_1la8 1
93 1 2 . . . . . . . . . 10 . H1' parsed_1la8 1
94 1 1 . . . . . . . . . 10 . H3' parsed_1la8 1
94 1 2 . . . . . . . . . 10 . H2' parsed_1la8 1
95 1 1 . . . . . . . . . 10 . H3' parsed_1la8 1
95 1 2 . . . . . . . . . 10 . H2'' parsed_1la8 1
96 1 1 . . . . . . . . . 10 . H3' parsed_1la8 1
96 1 2 . . . . . . . . . 10 . H6 parsed_1la8 1
97 1 1 . . . . . . . . . 10 . H6 parsed_1la8 1
97 1 2 . . . . . . . . . 10 . H1' parsed_1la8 1
98 1 1 . . . . . . . . . 10 . H5' parsed_1la8 1
98 1 1 . . . . . . . . . 10 . H5'' parsed_1la8 1
98 1 2 . . . . . . . . . 10 . H6 parsed_1la8 1
99 1 1 . . . . . . . . . 10 . H6 parsed_1la8 1
99 1 2 . . . . . . . . . 11 . H8 parsed_1la8 1
100 1 1 . . . . . . . . . 11 . H8 parsed_1la8 1
100 1 2 . . . . . . . . . 10 . H1' parsed_1la8 1
101 1 1 . . . . . . . . . 11 . H8 parsed_1la8 1
101 1 2 . . . . . . . . . 10 . H2' parsed_1la8 1
102 1 1 . . . . . . . . . 11 . H3' parsed_1la8 1
102 1 2 . . . . . . . . . 11 . H8 parsed_1la8 1
103 1 1 . . . . . . . . . 11 . H4' parsed_1la8 1
103 1 2 . . . . . . . . . 11 . H8 parsed_1la8 1
104 1 1 . . . . . . . . . 11 . H8 parsed_1la8 1
104 1 2 . . . . . . . . . 11 . H1' parsed_1la8 1
105 1 1 . . . . . . . . . 12 . H5 parsed_1la8 1
105 1 2 . . . . . . . . . 11 . H8 parsed_1la8 1
106 1 1 . . . . . . . . . 12 . H2' parsed_1la8 1
106 1 2 . . . . . . . . . 12 . H5 parsed_1la8 1
107 1 1 . . . . . . . . . 12 . H2'' parsed_1la8 1
107 1 2 . . . . . . . . . 12 . H6 parsed_1la8 1
108 1 1 . . . . . . . . . 13 . H8 parsed_1la8 1
108 1 2 . . . . . . . . . 12 . H1' parsed_1la8 1
109 1 1 . . . . . . . . . 13 . H8 parsed_1la8 1
109 1 2 . . . . . . . . . 12 . H2' parsed_1la8 1
110 1 1 . . . . . . . . . 13 . H3' parsed_1la8 1
110 1 2 . . . . . . . . . 13 . H8 parsed_1la8 1
111 1 1 . . . . . . . . . 13 . H4' parsed_1la8 1
111 1 2 . . . . . . . . . 13 . H1' parsed_1la8 1
112 1 1 . . . . . . . . . 13 . H4' parsed_1la8 1
112 1 2 . . . . . . . . . 13 . H2' parsed_1la8 1
113 1 1 . . . . . . . . . 13 . H8 parsed_1la8 1
113 1 2 . . . . . . . . . 13 . H1' parsed_1la8 1
114 1 1 . . . . . . . . . 7 . H1' parsed_1la8 1
114 1 2 . . . . . . . . . 8 . H1' parsed_1la8 1
115 1 1 . . . . . . . . . 8 . O1P parsed_1la8 1
115 1 2 . . . . . . . . . 9 . 02 parsed_1la8 1
116 1 1 . . . . . . . . . 8 . H1' parsed_1la8 1
116 1 2 . . . . . . . . . 9 . H6 parsed_1la8 1
117 1 1 . . . . . . . . . 8 . H2' parsed_1la8 1
117 1 2 . . . . . . . . . 9 . H6 parsed_1la8 1
118 1 1 . . . . . . . . . 8 . H3' parsed_1la8 1
118 1 2 . . . . . . . . . 9 . H6 parsed_1la8 1
119 1 1 . . . . . . . . . 8 . H1' parsed_1la8 1
119 1 2 . . . . . . . . . 9 . H5 parsed_1la8 1
120 1 1 . . . . . . . . . 8 . H2' parsed_1la8 1
120 1 2 . . . . . . . . . 9 . H5 parsed_1la8 1
121 1 1 . . . . . . . . . 8 . H2'' parsed_1la8 1
121 1 2 . . . . . . . . . 9 . H5 parsed_1la8 1
122 1 1 . . . . . . . . . 5 . H2' parsed_1la8 1
122 1 1 . . . . . . . . . 5 . H2'' parsed_1la8 1
122 1 2 . . . . . . . . . 6 . H5# parsed_1la8 1
123 1 1 . . . . . . . . . 5 . H1' parsed_1la8 1
123 1 2 . . . . . . . . . 6 . H4' parsed_1la8 1
124 1 1 . . . . . . . . . 5 . H1' parsed_1la8 1
124 1 2 . . . . . . . . . 7 . H5' parsed_1la8 1
125 1 1 . . . . . . . . . 5 . H1' parsed_1la8 1
125 1 2 . . . . . . . . . 7 . H3' parsed_1la8 1
126 1 1 . . . . . . . . . 5 . H1' parsed_1la8 1
126 1 2 . . . . . . . . . 7 . H2' parsed_1la8 1
127 1 1 . . . . . . . . . 5 . H8 parsed_1la8 1
127 1 2 . . . . . . . . . 7 . H3' parsed_1la8 1
128 1 1 . . . . . . . . . 3 . H5 parsed_1la8 1
128 1 2 . . . . . . . . . 4 . H8 parsed_1la8 1
129 1 1 . . . . . . . . . 10 . H5 parsed_1la8 1
129 1 2 . . . . . . . . . 11 . H8 parsed_1la8 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.33 2.03 2.63 parsed_1la8 1
2 1 . . . . . 4.40 3.82 4.98 parsed_1la8 1
3 1 . . . . . 4.29 3.67 4.91 parsed_1la8 1
4 1 . . . . . 4.21 3.91 4.51 parsed_1la8 1
5 1 . . . . . 3.34 3.04 4.14 parsed_1la8 1
6 1 . . . . . 2.91 2.31 3.06 parsed_1la8 1
7 1 . . . . . 3.77 3.47 4.07 parsed_1la8 1
8 1 . . . . . 4.66 4.36 4.96 parsed_1la8 1
9 1 . . . . . 3.67 3.37 3.97 parsed_1la8 1
10 1 . . . . . 4.06 3.76 4.36 parsed_1la8 1
11 1 . . . . . 3.88 3.58 4.18 parsed_1la8 1
12 1 . . . . . 4.04 3.74 4.34 parsed_1la8 1
13 1 . . . . . 3.79 3.47 4.11 parsed_1la8 1
14 1 . . . . . 3.12 2.82 3.92 parsed_1la8 1
15 1 . . . . . 4.80 4.50 5.40 parsed_1la8 1
16 1 . . . . . 3.89 3.59 4.19 parsed_1la8 1
17 1 . . . . . 3.34 3.04 4.14 parsed_1la8 1
18 1 . . . . . 2.72 2.42 3.02 parsed_1la8 1
19 1 . . . . . 4.87 4.57 5.17 parsed_1la8 1
20 1 . . . . . 2.96 2.66 3.26 parsed_1la8 1
21 1 . . . . . 3.79 3.49 4.09 parsed_1la8 1
22 1 . . . . . 3.06 2.76 3.36 parsed_1la8 1
23 1 . . . . . 2.78 2.48 3.08 parsed_1la8 1
24 1 . . . . . 4.80 4.35 5.20 parsed_1la8 1
25 1 . . . . . 3.42 3.12 3.72 parsed_1la8 1
26 1 . . . . . 3.68 3.38 3.98 parsed_1la8 1
27 1 . . . . . 2.46 2.16 2.76 parsed_1la8 1
28 1 . . . . . 2.88 2.58 3.18 parsed_1la8 1
29 1 . . . . . 3.46 3.16 4.76 parsed_1la8 1
30 1 . . . . . 3.42 3.12 3.72 parsed_1la8 1
31 1 . . . . . 4.08 3.22 4.94 parsed_1la8 1
32 1 . . . . . 4.19 3.25 5.00 parsed_1la8 1
33 1 . . . . . 3.50 3.20 3.80 parsed_1la8 1
34 1 . . . . . 4.21 3.69 4.74 parsed_1la8 1
35 1 . . . . . 4.28 3.49 4.87 parsed_1la8 1
36 1 . . . . . 3.70 3.40 4.00 parsed_1la8 1
37 1 . . . . . 5.43 4.56 5.20 parsed_1la8 1
38 1 . . . . . 4.87 4.37 5.70 parsed_1la8 1
39 1 . . . . . 3.29 2.99 3.59 parsed_1la8 1
40 1 . . . . . 3.35 2.71 3.99 parsed_1la8 1
41 1 . . . . . 4.27 3.71 4.83 parsed_1la8 1
42 1 . . . . . 2.30 2.00 2.60 parsed_1la8 1
43 1 . . . . . 3.95 3.49 4.41 parsed_1la8 1
44 1 . . . . . 3.55 3.25 3.85 parsed_1la8 1
45 1 . . . . . 4.20 3.90 4.50 parsed_1la8 1
46 1 . . . . . 2.72 2.42 3.02 parsed_1la8 1
47 1 . . . . . 4.56 3.98 5.14 parsed_1la8 1
48 1 . . . . . 3.93 3.31 4.85 parsed_1la8 1
49 1 . . . . . 3.70 2.94 4.46 parsed_1la8 1
50 1 . . . . . 3.11 2.81 3.98 parsed_1la8 1
51 1 . . . . . 3.89 3.46 4.82 parsed_1la8 1
52 1 . . . . . 4.06 3.51 4.62 parsed_1la8 1
53 1 . . . . . 5.06 3.91 5.20 parsed_1la8 1
54 1 . . . . . 3.63 2.73 4.53 parsed_1la8 1
55 1 . . . . . 4.45 3.55 5.36 parsed_1la8 1
56 1 . . . . . 4.67 4.29 5.05 parsed_1la8 1
57 1 . . . . . 4.02 3.64 4.70 parsed_1la8 1
58 1 . . . . . 3.61 2.70 4.52 parsed_1la8 1
59 1 . . . . . 3.57 3.17 3.97 parsed_1la8 1
60 1 . . . . . 3.83 3.31 4.84 parsed_1la8 1
61 1 . . . . . 3.92 2.85 5.00 parsed_1la8 1
62 1 . . . . . 4.68 3.02 5.20 parsed_1la8 1
63 1 . . . . . 4.01 3.36 5.17 parsed_1la8 1
64 1 . . . . . 2.76 2.59 2.94 parsed_1la8 1
65 1 . . . . . 2.00 1.76 2.23 parsed_1la8 1
66 1 . . . . . 2.31 2.16 2.46 parsed_1la8 1
67 1 . . . . . 2.87 2.07 4.07 parsed_1la8 1
68 1 . . . . . 3.37 3.07 3.67 parsed_1la8 1
69 1 . . . . . 4.17 3.85 4.49 parsed_1la8 1
70 1 . . . . . 3.23 2.93 4.03 parsed_1la8 1
71 1 . . . . . 3.20 2.73 3.67 parsed_1la8 1
72 1 . . . . . 4.17 2.81 5.54 parsed_1la8 1
73 1 . . . . . 2.45 1.95 2.95 parsed_1la8 1
74 1 . . . . . 3.96 3.29 4.63 parsed_1la8 1
75 1 . . . . . 4.13 3.53 4.73 parsed_1la8 1
76 1 . . . . . 2.85 2.55 3.15 parsed_1la8 1
77 1 . . . . . 4.20 3.90 4.50 parsed_1la8 1
78 1 . . . . . 2.44 2.14 2.74 parsed_1la8 1
79 1 . . . . . 2.31 2.01 2.61 parsed_1la8 1
80 1 . . . . . 3.08 2.78 3.88 parsed_1la8 1
81 1 . . . . . 3.79 3.49 4.09 parsed_1la8 1
82 1 . . . . . 4.33 3.86 4.79 parsed_1la8 1
83 1 . . . . . 2.72 2.28 3.16 parsed_1la8 1
84 1 . . . . . 3.37 3.07 3.67 parsed_1la8 1
85 1 . . . . . 3.38 3.03 4.03 parsed_1la8 1
86 1 . . . . . 2.70 2.40 3.00 parsed_1la8 1
87 1 . . . . . 4.38 4.08 4.68 parsed_1la8 1
88 1 . . . . . 2.81 2.51 3.11 parsed_1la8 1
89 1 . . . . . 2.95 2.65 3.25 parsed_1la8 1
90 1 . . . . . 2.34 2.04 2.64 parsed_1la8 1
91 1 . . . . . 2.33 2.03 2.63 parsed_1la8 1
92 1 . . . . . 3.18 2.74 3.82 parsed_1la8 1
93 1 . . . . . 3.94 3.64 4.24 parsed_1la8 1
94 1 . . . . . 2.31 2.01 2.61 parsed_1la8 1
95 1 . . . . . 2.67 2.37 2.97 parsed_1la8 1
96 1 . . . . . 3.51 3.21 3.81 parsed_1la8 1
97 1 . . . . . 3.47 3.17 3.77 parsed_1la8 1
98 1 . . . . . 3.96 3.66 4.96 parsed_1la8 1
99 1 . . . . . 4.80 4.50 5.50 parsed_1la8 1
100 1 . . . . . 3.62 3.32 3.92 parsed_1la8 1
101 1 . . . . . 3.25 2.95 4.05 parsed_1la8 1
102 1 . . . . . 3.67 3.37 4.47 parsed_1la8 1
103 1 . . . . . 4.56 4.26 4.86 parsed_1la8 1
104 1 . . . . . 3.71 3.14 4.28 parsed_1la8 1
105 1 . . . . . 3.60 3.30 3.90 parsed_1la8 1
106 1 . . . . . 3.71 3.41 4.01 parsed_1la8 1
107 1 . . . . . 3.25 2.95 3.75 parsed_1la8 1
108 1 . . . . . 4.63 3.56 5.20 parsed_1la8 1
109 1 . . . . . 4.42 3.43 5.21 parsed_1la8 1
110 1 . . . . . 4.84 4.47 5.21 parsed_1la8 1
111 1 . . . . . 3.18 2.88 3.48 parsed_1la8 1
112 1 . . . . . 4.04 3.59 4.49 parsed_1la8 1
113 1 . . . . . 4.29 3.62 4.96 parsed_1la8 1
114 1 . . . . . 4.80 4.80 9.80 parsed_1la8 1
115 1 . . . . . 3.20 3.20 8.20 parsed_1la8 1
116 1 . . . . . 5.20 5.20 10.20 parsed_1la8 1
117 1 . . . . . 5.20 5.20 10.20 parsed_1la8 1
118 1 . . . . . 5.20 5.20 10.20 parsed_1la8 1
119 1 . . . . . 5.20 5.20 10.20 parsed_1la8 1
120 1 . . . . . 5.20 5.20 10.20 parsed_1la8 1
121 1 . . . . . 5.20 5.20 10.20 parsed_1la8 1
122 1 . . . . . 5.20 5.20 15.20 parsed_1la8 1
123 1 . . . . . 5.20 5.20 15.20 parsed_1la8 1
124 1 . . . . . 5.00 5.00 15.00 parsed_1la8 1
125 1 . . . . . 5.00 5.00 15.00 parsed_1la8 1
126 1 . . . . . 5.00 5.00 15.00 parsed_1la8 1
127 1 . . . . . 5.00 5.00 15.00 parsed_1la8 1
128 1 . . . . . 5.80 5.80 15.80 parsed_1la8 1
129 1 . . . . . 5.80 5.80 15.80 parsed_1la8 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_1la8 1
2 ub+0.5 8 81 8 89 parsed_1la8 1
3 lb-0.5 9 81 9 89 parsed_1la8 1
4 gen 18 81 18 88 parsed_1la8 1
5 -0.2 21 81 21 88 parsed_1la8 1
6 +1 22 81 22 86 parsed_1la8 1
7 ub+1.0 35 81 35 90 parsed_1la8 1
8 +0.5 39 81 39 88 parsed_1la8 1
9 lb-0.2 41 81 41 90 parsed_1la8 1
10 +0.5 50 81 50 88 parsed_1la8 1
11 ub+0.3 54 81 54 90 parsed_1la8 1
12 ub+0.5 57 81 57 90 parsed_1la8 1
13 +1 61 81 61 86 parsed_1la8 1
14
;
assign ( resid 7 and name H4' )( resid 8 and name H5# ) 4.93 0.30 0.30
assign ( resid 8 and name H6 )( resid 7 and name H8 ) 4.50 0.50 0.50
;
63 1 64 84 parsed_1la8 1
15 ub+0.3 66 81 66 90 parsed_1la8 1
16 +0.5 68 81 68 88 parsed_1la8 1
17 +0.5 69 81 69 88 parsed_1la8 1
18
;
assign (( resid 7 and name H5' ) or ( resid 7 and name H5'' ))
( resid 8 and name H5# ) 4.47 2.19 2.19
;
73 1 74 83 parsed_1la8 1
19 ub+0.2 78 81 78 90 parsed_1la8 1
20 +1.0 80 81 80 88 parsed_1la8 1
21 ub+0.5 81 81 81 90 parsed_1la8 1
22 +0.5 85 81 85 88 parsed_1la8 1
23 "assign ( resid 9 and name H5'' )( resid 9 and name H2' ) 4.50 0.50 0.50 !" 87 1 87 86 parsed_1la8 1
24 +1 89 81 89 85 parsed_1la8 1
25 ub+0.5 92 81 92 90 parsed_1la8 1
26 +0.5 93 81 93 88 parsed_1la8 1
27 gen 113 81 113 88 parsed_1la8 1
28 ub+0.5 116 81 116 90 parsed_1la8 1
29 -0.5 118 81 118 88 parsed_1la8 1
30 lb-0.5 122 81 122 90 parsed_1la8 1
31 lb-0.2 123 81 123 90 parsed_1la8 1
32 "negative restraints" 128 1 128 22 parsed_1la8 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1la8
_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_1la8 2
2 1 . . . parsed_1la8 2
3 1 . . . parsed_1la8 2
4 1 . . . parsed_1la8 2
5 1 . . . parsed_1la8 2
6 1 . . . parsed_1la8 2
7 1 . . . parsed_1la8 2
8 1 . . . parsed_1la8 2
9 1 . . . parsed_1la8 2
10 1 . . . parsed_1la8 2
11 1 . . . parsed_1la8 2
12 1 . . . parsed_1la8 2
13 1 . . . parsed_1la8 2
14 1 . . . parsed_1la8 2
15 1 . . . parsed_1la8 2
16 1 . . . parsed_1la8 2
17 1 . . . parsed_1la8 2
18 1 . . . parsed_1la8 2
19 1 . . . parsed_1la8 2
20 1 . . . parsed_1la8 2
21 1 . . . parsed_1la8 2
22 1 . . . parsed_1la8 2
23 1 . . . parsed_1la8 2
24 1 . . . parsed_1la8 2
25 1 . . . parsed_1la8 2
26 1 . . . parsed_1la8 2
27 1 . . . parsed_1la8 2
28 1 . . . parsed_1la8 2
29 1 . . . parsed_1la8 2
30 1 . . . parsed_1la8 2
31 1 . . . parsed_1la8 2
32 1 . . . parsed_1la8 2
33 1 . . . parsed_1la8 2
34 1 . . . parsed_1la8 2
35 1 . . . parsed_1la8 2
36 1 . . . parsed_1la8 2
37 1 . . . parsed_1la8 2
38 1 . . . parsed_1la8 2
39 1 . . . parsed_1la8 2
40 1 . . . parsed_1la8 2
41 1 . . . parsed_1la8 2
42 1 . . . parsed_1la8 2
43 1 . . . parsed_1la8 2
44 1 . . . parsed_1la8 2
45 1 . . . parsed_1la8 2
46 1 . . . parsed_1la8 2
47 1 . . . parsed_1la8 2
48 1 . . . parsed_1la8 2
49 1 . . . parsed_1la8 2
50 1 . . . parsed_1la8 2
51 1 . . . parsed_1la8 2
52 1 . . . parsed_1la8 2
53 1 . . . parsed_1la8 2
54 1 . . . parsed_1la8 2
55 1 . . . parsed_1la8 2
56 1 . . . parsed_1la8 2
57 1 . . . parsed_1la8 2
58 1 . . . parsed_1la8 2
59 1 . . . parsed_1la8 2
60 1 . . . parsed_1la8 2
61 1 . . . parsed_1la8 2
62 1 . . . parsed_1la8 2
63 1 . . . parsed_1la8 2
64 1 . . . parsed_1la8 2
65 1 . . . parsed_1la8 2
66 1 . . . parsed_1la8 2
67 1 . . . parsed_1la8 2
68 1 . . . parsed_1la8 2
69 1 . . . parsed_1la8 2
70 1 . . . parsed_1la8 2
71 1 . . . parsed_1la8 2
72 1 . . . parsed_1la8 2
73 1 . . . parsed_1la8 2
74 1 . . . parsed_1la8 2
75 1 . . . parsed_1la8 2
76 1 . . . parsed_1la8 2
77 1 . . . parsed_1la8 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_1la8 2
1 1 2 . . . . . . . . . 1 . H1' parsed_1la8 2
2 1 1 . . . . . . . . . 2 . H3' parsed_1la8 2
2 1 2 . . . . . . . . . 2 . H1' parsed_1la8 2
3 1 1 . . . . . . . . . 2 . H4' parsed_1la8 2
3 1 2 . . . . . . . . . 2 . H1' parsed_1la8 2
4 1 1 . . . . . . . . . 3 . H5 parsed_1la8 2
4 1 2 . . . . . . . . . 2 . H2' parsed_1la8 2
5 1 1 . . . . . . . . . 3 . H5 parsed_1la8 2
5 1 2 . . . . . . . . . 2 . H2'' parsed_1la8 2
6 1 1 . . . . . . . . . 3 . H5' parsed_1la8 2
6 1 2 . . . . . . . . . 2 . H1' parsed_1la8 2
7 1 1 . . . . . . . . . 3 . H5'' parsed_1la8 2
7 1 2 . . . . . . . . . 2 . H2'' parsed_1la8 2
8 1 1 . . . . . . . . . 3 . H6 parsed_1la8 2
8 1 2 . . . . . . . . . 2 . H1' parsed_1la8 2
9 1 1 . . . . . . . . . 3 . H6 parsed_1la8 2
9 1 2 . . . . . . . . . 2 . H3' parsed_1la8 2
10 1 1 . . . . . . . . . 3 . H2' parsed_1la8 2
10 1 2 . . . . . . . . . 3 . H5'' parsed_1la8 2
11 1 1 . . . . . . . . . 3 . H2' parsed_1la8 2
11 1 2 . . . . . . . . . 3 . H6 parsed_1la8 2
12 1 1 . . . . . . . . . 3 . H2'' parsed_1la8 2
12 1 2 . . . . . . . . . 3 . H1' parsed_1la8 2
13 1 1 . . . . . . . . . 3 . H3' parsed_1la8 2
13 1 2 . . . . . . . . . 3 . H1' parsed_1la8 2
14 1 1 . . . . . . . . . 3 . H3' parsed_1la8 2
14 1 2 . . . . . . . . . 3 . H2' parsed_1la8 2
15 1 1 . . . . . . . . . 3 . H3' parsed_1la8 2
15 1 2 . . . . . . . . . 3 . H2'' parsed_1la8 2
16 1 1 . . . . . . . . . 3 . H4' parsed_1la8 2
16 1 2 . . . . . . . . . 3 . H1' parsed_1la8 2
17 1 1 . . . . . . . . . 3 . H4' parsed_1la8 2
17 1 2 . . . . . . . . . 3 . H2' parsed_1la8 2
18 1 1 . . . . . . . . . 3 . H4' parsed_1la8 2
18 1 2 . . . . . . . . . 3 . H2'' parsed_1la8 2
19 1 1 . . . . . . . . . 3 . H6 parsed_1la8 2
19 1 2 . . . . . . . . . 3 . H1' parsed_1la8 2
20 1 1 . . . . . . . . . 3 . H6 parsed_1la8 2
20 1 2 . . . . . . . . . 3 . H5'' parsed_1la8 2
21 1 1 . . . . . . . . . 4 . H3' parsed_1la8 2
21 1 2 . . . . . . . . . 4 . H1' parsed_1la8 2
22 1 1 . . . . . . . . . 4 . H3' parsed_1la8 2
22 1 2 . . . . . . . . . 4 . H5' parsed_1la8 2
23 1 1 . . . . . . . . . 4 . H2' parsed_1la8 2
23 1 1 . . . . . . . . . 4 . H2'' parsed_1la8 2
23 1 2 . . . . . . . . . 4 . H3' parsed_1la8 2
24 1 1 . . . . . . . . . 4 . H8 parsed_1la8 2
24 1 2 . . . . . . . . . 4 . H5' parsed_1la8 2
25 1 1 . . . . . . . . . 4 . H8 parsed_1la8 2
25 1 2 . . . . . . . . . 4 . H5'' parsed_1la8 2
26 1 1 . . . . . . . . . 5 . H8 parsed_1la8 2
26 1 2 . . . . . . . . . 4 . H3' parsed_1la8 2
27 1 1 . . . . . . . . . 5 . H2' parsed_1la8 2
27 1 1 . . . . . . . . . 5 . H2'' parsed_1la8 2
27 1 2 . . . . . . . . . 5 . H3' parsed_1la8 2
28 1 1 . . . . . . . . . 5 . H5'' parsed_1la8 2
28 1 2 . . . . . . . . . 5 . H8 parsed_1la8 2
29 1 1 . . . . . . . . . 6 . H6 parsed_1la8 2
29 1 2 . . . . . . . . . 5 . H1' parsed_1la8 2
30 1 1 . . . . . . . . . 6 . H2'' parsed_1la8 2
30 1 2 . . . . . . . . . 6 . H4' parsed_1la8 2
31 1 1 . . . . . . . . . 6 . H3' parsed_1la8 2
31 1 2 . . . . . . . . . 6 . H1' parsed_1la8 2
32 1 1 . . . . . . . . . 6 . H3' parsed_1la8 2
32 1 2 . . . . . . . . . 6 . H2' parsed_1la8 2
33 1 1 . . . . . . . . . 6 . H3' parsed_1la8 2
33 1 2 . . . . . . . . . 6 . H4' parsed_1la8 2
34 1 1 . . . . . . . . . 6 . H5' parsed_1la8 2
34 1 2 . . . . . . . . . 6 . H6 parsed_1la8 2
35 1 1 . . . . . . . . . 7 . H8 parsed_1la8 2
35 1 2 . . . . . . . . . 6 . H1' parsed_1la8 2
36 1 1 . . . . . . . . . 7 . H5' parsed_1la8 2
36 1 1 . . . . . . . . . 7 . H5'' parsed_1la8 2
36 1 2 . . . . . . . . . 7 . H2' parsed_1la8 2
37 1 1 . . . . . . . . . 7 . H3' parsed_1la8 2
37 1 2 . . . . . . . . . 7 . H1' parsed_1la8 2
38 1 1 . . . . . . . . . 7 . H4' parsed_1la8 2
38 1 2 . . . . . . . . . 7 . H1' parsed_1la8 2
39 1 1 . . . . . . . . . 7 . H4' parsed_1la8 2
39 1 2 . . . . . . . . . 7 . H2' parsed_1la8 2
40 1 1 . . . . . . . . . 7 . H4' parsed_1la8 2
40 1 2 . . . . . . . . . 7 . H2'' parsed_1la8 2
41 1 1 . . . . . . . . . 7 . H4' parsed_1la8 2
41 1 2 . . . . . . . . . 7 . H3' parsed_1la8 2
42 1 1 . . . . . . . . . 7 . H5' parsed_1la8 2
42 1 1 . . . . . . . . . 7 . H5'' parsed_1la8 2
42 1 2 . . . . . . . . . 7 . H8 parsed_1la8 2
43 1 1 . . . . . . . . . 8 . H6 parsed_1la8 2
43 1 2 . . . . . . . . . 7 . H2' parsed_1la8 2
44 1 1 . . . . . . . . . 8 . H6 parsed_1la8 2
44 1 2 . . . . . . . . . 7 . H2'' parsed_1la8 2
45 1 1 . . . . . . . . . 8 . H6 parsed_1la8 2
45 1 2 . . . . . . . . . 7 . H3' parsed_1la8 2
46 1 1 . . . . . . . . . 8 . H5# parsed_1la8 2
46 1 2 . . . . . . . . . 7 . H3' parsed_1la8 2
47 1 1 . . . . . . . . . 8 . H4' parsed_1la8 2
47 1 2 . . . . . . . . . 9 . H6 parsed_1la8 2
48 1 1 . . . . . . . . . 9 . H6 parsed_1la8 2
48 1 2 . . . . . . . . . 9 . H1' parsed_1la8 2
49 1 1 . . . . . . . . . 10 . H4' parsed_1la8 2
49 1 2 . . . . . . . . . 9 . H1' parsed_1la8 2
50 1 1 . . . . . . . . . 10 . H5' parsed_1la8 2
50 1 1 . . . . . . . . . 10 . H5'' parsed_1la8 2
50 1 2 . . . . . . . . . 10 . H1' parsed_1la8 2
51 1 1 . . . . . . . . . 10 . H2' parsed_1la8 2
51 1 2 . . . . . . . . . 10 . H4' parsed_1la8 2
52 1 1 . . . . . . . . . 10 . H6 parsed_1la8 2
52 1 2 . . . . . . . . . 10 . H4' parsed_1la8 2
53 1 1 . . . . . . . . . 11 . H5' parsed_1la8 2
53 1 2 . . . . . . . . . 10 . H1' parsed_1la8 2
54 1 1 . . . . . . . . . 11 . H8 parsed_1la8 2
54 1 2 . . . . . . . . . 10 . H2'' parsed_1la8 2
55 1 1 . . . . . . . . . 11 . H2'' parsed_1la8 2
55 1 2 . . . . . . . . . 11 . H8 parsed_1la8 2
56 1 1 . . . . . . . . . 11 . H3' parsed_1la8 2
56 1 2 . . . . . . . . . 11 . H1' parsed_1la8 2
57 1 1 . . . . . . . . . 11 . H4' parsed_1la8 2
57 1 2 . . . . . . . . . 11 . H1' parsed_1la8 2
58 1 1 . . . . . . . . . 12 . H5 parsed_1la8 2
58 1 2 . . . . . . . . . 11 . H2' parsed_1la8 2
59 1 1 . . . . . . . . . 12 . H5 parsed_1la8 2
59 1 2 . . . . . . . . . 11 . H2'' parsed_1la8 2
60 1 1 . . . . . . . . . 12 . H5' parsed_1la8 2
60 1 2 . . . . . . . . . 11 . H1' parsed_1la8 2
61 1 1 . . . . . . . . . 12 . H5' parsed_1la8 2
61 1 2 . . . . . . . . . 11 . H2'' parsed_1la8 2
62 1 1 . . . . . . . . . 12 . H5'' parsed_1la8 2
62 1 2 . . . . . . . . . 11 . H2'' parsed_1la8 2
63 1 1 . . . . . . . . . 12 . H6 parsed_1la8 2
63 1 2 . . . . . . . . . 11 . H1' parsed_1la8 2
64 1 1 . . . . . . . . . 12 . H6 parsed_1la8 2
64 1 2 . . . . . . . . . 11 . H2' parsed_1la8 2
65 1 1 . . . . . . . . . 12 . H6 parsed_1la8 2
65 1 2 . . . . . . . . . 11 . H2'' parsed_1la8 2
66 1 1 . . . . . . . . . 12 . H6 parsed_1la8 2
66 1 2 . . . . . . . . . 11 . H3' parsed_1la8 2
67 1 1 . . . . . . . . . 12 . H2' parsed_1la8 2
67 1 2 . . . . . . . . . 12 . H1' parsed_1la8 2
68 1 1 . . . . . . . . . 12 . H2' parsed_1la8 2
68 1 2 . . . . . . . . . 12 . H6 parsed_1la8 2
69 1 1 . . . . . . . . . 12 . H2'' parsed_1la8 2
69 1 2 . . . . . . . . . 12 . H1' parsed_1la8 2
70 1 1 . . . . . . . . . 12 . H3' parsed_1la8 2
70 1 2 . . . . . . . . . 12 . H1' parsed_1la8 2
71 1 1 . . . . . . . . . 12 . H3' parsed_1la8 2
71 1 2 . . . . . . . . . 12 . H2' parsed_1la8 2
72 1 1 . . . . . . . . . 12 . H3' parsed_1la8 2
72 1 2 . . . . . . . . . 12 . H2'' parsed_1la8 2
73 1 1 . . . . . . . . . 12 . H4' parsed_1la8 2
73 1 2 . . . . . . . . . 12 . H1' parsed_1la8 2
74 1 1 . . . . . . . . . 12 . H6 parsed_1la8 2
74 1 2 . . . . . . . . . 12 . H1' parsed_1la8 2
75 1 1 . . . . . . . . . 12 . H6 parsed_1la8 2
75 1 2 . . . . . . . . . 12 . H5' parsed_1la8 2
76 1 1 . . . . . . . . . 13 . H2'' parsed_1la8 2
76 1 2 . . . . . . . . . 13 . H1' parsed_1la8 2
77 1 1 . . . . . . . . . 13 . H4' parsed_1la8 2
77 1 2 . . . . . . . . . 13 . H8 parsed_1la8 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.55 3.02 4.09 parsed_1la8 2
2 1 . . . . . 3.54 3.24 3.84 parsed_1la8 2
3 1 . . . . . 2.93 2.63 4.23 parsed_1la8 2
4 1 . . . . . 3.07 2.77 3.37 parsed_1la8 2
5 1 . . . . . 2.89 2.59 3.19 parsed_1la8 2
6 1 . . . . . 2.84 2.54 3.14 parsed_1la8 2
7 1 . . . . . 4.87 3.68 5.20 parsed_1la8 2
8 1 . . . . . 3.05 2.75 3.85 parsed_1la8 2
9 1 . . . . . 4.21 3.91 5.01 parsed_1la8 2
10 1 . . . . . 4.83 3.74 5.20 parsed_1la8 2
11 1 . . . . . 2.36 2.06 2.66 parsed_1la8 2
12 1 . . . . . 2.25 1.95 2.55 parsed_1la8 2
13 1 . . . . . 3.60 3.30 3.90 parsed_1la8 2
14 1 . . . . . 2.29 1.99 2.59 parsed_1la8 2
15 1 . . . . . 2.65 2.35 2.95 parsed_1la8 2
16 1 . . . . . 3.10 2.80 3.40 parsed_1la8 2
17 1 . . . . . 3.67 3.37 3.97 parsed_1la8 2
18 1 . . . . . 3.72 3.42 4.02 parsed_1la8 2
19 1 . . . . . 3.31 3.01 3.61 parsed_1la8 2
20 1 . . . . . 4.15 3.85 4.75 parsed_1la8 2
21 1 . . . . . 3.95 3.54 4.36 parsed_1la8 2
22 1 . . . . . 3.42 3.12 3.72 parsed_1la8 2
23 1 . . . . . 2.21 1.91 2.51 parsed_1la8 2
24 1 . . . . . 3.82 3.52 4.12 parsed_1la8 2
25 1 . . . . . 4.63 4.33 4.93 parsed_1la8 2
26 1 . . . . . 4.47 3.73 5.20 parsed_1la8 2
27 1 . . . . . 2.02 1.72 2.32 parsed_1la8 2
28 1 . . . . . 5.01 3.91 5.20 parsed_1la8 2
29 1 . . . . . 3.87 3.29 4.45 parsed_1la8 2
30 1 . . . . . 3.61 3.31 3.91 parsed_1la8 2
31 1 . . . . . 3.89 3.31 4.20 parsed_1la8 2
32 1 . . . . . 2.10 1.80 2.40 parsed_1la8 2
33 1 . . . . . 3.20 2.77 3.63 parsed_1la8 2
34 1 . . . . . 3.42 2.82 4.02 parsed_1la8 2
35 1 . . . . . 4.94 3.91 5.20 parsed_1la8 2
36 1 . . . . . 3.50 3.02 3.98 parsed_1la8 2
37 1 . . . . . 3.15 1.85 4.44 parsed_1la8 2
38 1 . . . . . 2.84 2.34 3.84 parsed_1la8 2
39 1 . . . . . 3.06 2.43 3.69 parsed_1la8 2
40 1 . . . . . 3.48 2.94 4.02 parsed_1la8 2
41 1 . . . . . 2.51 1.96 3.07 parsed_1la8 2
42 1 . . . . . 3.95 2.75 5.15 parsed_1la8 2
43 1 . . . . . 3.34 2.65 4.33 parsed_1la8 2
44 1 . . . . . 2.78 2.28 3.28 parsed_1la8 2
45 1 . . . . . 3.69 2.59 4.79 parsed_1la8 2
46 1 . . . . . 4.45 2.49 5.40 parsed_1la8 2
47 1 . . . . . 3.37 3.07 3.67 parsed_1la8 2
48 1 . . . . . 3.41 3.11 3.91 parsed_1la8 2
49 1 . . . . . 4.16 3.86 4.96 parsed_1la8 2
50 1 . . . . . 4.05 3.75 4.85 parsed_1la8 2
51 1 . . . . . 3.87 3.57 4.17 parsed_1la8 2
52 1 . . . . . 4.53 4.23 4.83 parsed_1la8 2
53 1 . . . . . 4.39 4.09 4.69 parsed_1la8 2
54 1 . . . . . 2.79 2.49 3.09 parsed_1la8 2
55 1 . . . . . 3.21 2.91 4.01 parsed_1la8 2
56 1 . . . . . 3.57 3.27 3.87 parsed_1la8 2
57 1 . . . . . 3.05 2.75 3.35 parsed_1la8 2
58 1 . . . . . 3.08 2.78 3.38 parsed_1la8 2
59 1 . . . . . 2.92 2.62 3.22 parsed_1la8 2
60 1 . . . . . 3.50 3.20 3.80 parsed_1la8 2
61 1 . . . . . 3.75 3.42 4.08 parsed_1la8 2
62 1 . . . . . 3.58 3.25 4.40 parsed_1la8 2
63 1 . . . . . 3.27 2.97 3.57 parsed_1la8 2
64 1 . . . . . 3.35 3.05 4.15 parsed_1la8 2
65 1 . . . . . 2.74 2.44 3.04 parsed_1la8 2
66 1 . . . . . 4.98 4.47 5.28 parsed_1la8 2
67 1 . . . . . 3.02 2.72 3.32 parsed_1la8 2
68 1 . . . . . 2.32 2.02 2.62 parsed_1la8 2
69 1 . . . . . 2.24 1.94 2.54 parsed_1la8 2
70 1 . . . . . 3.84 3.54 4.14 parsed_1la8 2
71 1 . . . . . 2.32 2.02 2.62 parsed_1la8 2
72 1 . . . . . 2.64 2.34 2.94 parsed_1la8 2
73 1 . . . . . 2.67 2.37 3.97 parsed_1la8 2
74 1 . . . . . 3.44 3.14 3.74 parsed_1la8 2
75 1 . . . . . 3.73 3.43 4.03 parsed_1la8 2
76 1 . . . . . 2.27 1.97 2.57 parsed_1la8 2
77 1 . . . . . 4.20 3.90 5.00 parsed_1la8 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_1la8 2
2 ub+1.0 5 81 5 90 parsed_1la8 2
3 +0.5 18 81 18 88 parsed_1la8 2
4 +0.5 19 81 19 88 parsed_1la8 2
5 +0.5 20 81 20 88 parsed_1la8 2
6
;
ub+0.3
assign ( resid 4 and name H5'' )( resid 3 and name H2'' ) 2.84 0.14 0.14
;
22 81 23 84 parsed_1la8 2
7 +1 25 81 25 85 parsed_1la8 2
8 +0.5 29 81 29 88 parsed_1la8 2
9
;
assign (( resid 5 and name H2' ) or ( resid 5 and name H2'' ))
( resid 6 and name H4' ) 4.87 0.65 0.65
;
34 1 35 82 parsed_1la8 2
10 -1 38 81 38 86 parsed_1la8 2
11 +1 44 81 44 85 parsed_1la8 2
12 ub+0.5 46 81 46 90 parsed_1la8 2
13 +1 48 81 48 86 parsed_1la8 2
14 "assign ( resid 8 and name H3' )( resid 8 and name H6 ) 7.72 0.98 0.98" 56 1 56 84 parsed_1la8 2
15 "assign ( resid 9 and name H2'' )( resid 9 and name H5 ) 4.79 0.79 0.91 ! ub+0.5" 58 1 58 92 parsed_1la8 2
16 +1 60 81 60 86 parsed_1la8 2
17 ub+0.5 62 81 62 89 parsed_1la8 2
18 +1 63 81 63 86 parsed_1la8 2
19 +1 64 81 64 85 parsed_1la8 2
20 +1 65 81 65 86 parsed_1la8 2
21 ub+0.5 67 81 67 90 parsed_1la8 2
22 ub+0.5 74 81 74 90 parsed_1la8 2
23 +0.5 76 81 76 88 parsed_1la8 2
24 ub+1.0 85 81 85 90 parsed_1la8 2
25 ub+0.5 89 81 89 90 parsed_1la8 2
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1la8
_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_1la8 3
2 1 . . . parsed_1la8 3
3 1 . . . parsed_1la8 3
4 1 . . . parsed_1la8 3
5 1 . . . parsed_1la8 3
6 1 . . . parsed_1la8 3
7 1 . . . parsed_1la8 3
8 1 . . . parsed_1la8 3
9 1 . . . parsed_1la8 3
10 1 . . . parsed_1la8 3
11 1 . . . parsed_1la8 3
12 1 . . . parsed_1la8 3
13 1 . . . parsed_1la8 3
14 1 . . . parsed_1la8 3
15 1 . . . parsed_1la8 3
16 1 . . . parsed_1la8 3
17 1 . . . parsed_1la8 3
18 1 . . . parsed_1la8 3
19 1 . . . parsed_1la8 3
20 1 . . . parsed_1la8 3
21 1 . . . parsed_1la8 3
22 1 . . . parsed_1la8 3
23 1 . . . parsed_1la8 3
24 1 . . . parsed_1la8 3
25 1 . . . parsed_1la8 3
26 1 . . . parsed_1la8 3
27 1 . . . parsed_1la8 3
28 1 . . . parsed_1la8 3
29 1 . . . parsed_1la8 3
30 1 . . . parsed_1la8 3
31 1 . . . parsed_1la8 3
32 1 . . . parsed_1la8 3
33 1 . . . parsed_1la8 3
34 1 . . . parsed_1la8 3
35 1 . . . parsed_1la8 3
36 1 . . . parsed_1la8 3
37 1 . . . parsed_1la8 3
38 1 . . . parsed_1la8 3
39 1 . . . parsed_1la8 3
40 1 . . . parsed_1la8 3
41 1 . . . parsed_1la8 3
42 1 . . . parsed_1la8 3
43 1 . . . parsed_1la8 3
44 1 . . . parsed_1la8 3
45 1 . . . parsed_1la8 3
46 1 . . . parsed_1la8 3
47 1 . . . parsed_1la8 3
48 1 . . . parsed_1la8 3
49 1 . . . parsed_1la8 3
50 1 . . . parsed_1la8 3
51 1 . . . parsed_1la8 3
52 1 . . . parsed_1la8 3
53 1 . . . parsed_1la8 3
54 1 . . . parsed_1la8 3
55 1 . . . parsed_1la8 3
56 1 . . . parsed_1la8 3
57 1 . . . parsed_1la8 3
58 1 . . . parsed_1la8 3
59 1 . . . parsed_1la8 3
60 1 . . . parsed_1la8 3
61 1 . . . parsed_1la8 3
62 1 . . . parsed_1la8 3
63 1 . . . parsed_1la8 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_1la8 3
1 1 2 . . . . . . . . . 1 . H1' parsed_1la8 3
2 1 1 . . . . . . . . . 1 . H6 parsed_1la8 3
2 1 2 . . . . . . . . . 1 . H1' parsed_1la8 3
3 1 1 . . . . . . . . . 2 . H2' parsed_1la8 3
3 1 2 . . . . . . . . . 2 . H1' parsed_1la8 3
4 1 1 . . . . . . . . . 2 . H2' parsed_1la8 3
4 1 2 . . . . . . . . . 2 . H8 parsed_1la8 3
5 1 1 . . . . . . . . . 2 . H2'' parsed_1la8 3
5 1 2 . . . . . . . . . 2 . H1' parsed_1la8 3
6 1 1 . . . . . . . . . 2 . H2'' parsed_1la8 3
6 1 2 . . . . . . . . . 2 . H8 parsed_1la8 3
7 1 1 . . . . . . . . . 2 . H4' parsed_1la8 3
7 1 2 . . . . . . . . . 2 . H2' parsed_1la8 3
8 1 1 . . . . . . . . . 2 . H4' parsed_1la8 3
8 1 2 . . . . . . . . . 2 . H2'' parsed_1la8 3
9 1 1 . . . . . . . . . 2 . H5'' parsed_1la8 3
9 1 2 . . . . . . . . . 2 . H3' parsed_1la8 3
10 1 1 . . . . . . . . . 3 . H5'' parsed_1la8 3
10 1 2 . . . . . . . . . 2 . H1' parsed_1la8 3
11 1 1 . . . . . . . . . 3 . H6 parsed_1la8 3
11 1 2 . . . . . . . . . 2 . H2' parsed_1la8 3
12 1 1 . . . . . . . . . 3 . H6 parsed_1la8 3
12 1 2 . . . . . . . . . 2 . H2'' parsed_1la8 3
13 1 1 . . . . . . . . . 3 . H2' parsed_1la8 3
13 1 2 . . . . . . . . . 3 . H1' parsed_1la8 3
14 1 1 . . . . . . . . . 3 . H3' parsed_1la8 3
14 1 2 . . . . . . . . . 3 . H6 parsed_1la8 3
15 1 1 . . . . . . . . . 3 . H4' parsed_1la8 3
15 1 2 . . . . . . . . . 3 . H6 parsed_1la8 3
16 1 1 . . . . . . . . . 4 . H5'' parsed_1la8 3
16 1 2 . . . . . . . . . 3 . H1' parsed_1la8 3
17 1 1 . . . . . . . . . 5 . H2' parsed_1la8 3
17 1 1 . . . . . . . . . 5 . H2'' parsed_1la8 3
17 1 2 . . . . . . . . . 5 . H4' parsed_1la8 3
18 1 1 . . . . . . . . . 5 . H5'' parsed_1la8 3
18 1 2 . . . . . . . . . 5 . H3' parsed_1la8 3
19 1 1 . . . . . . . . . 5 . H2' parsed_1la8 3
19 1 1 . . . . . . . . . 5 . H2'' parsed_1la8 3
19 1 2 . . . . . . . . . 5 . H1' parsed_1la8 3
20 1 1 . . . . . . . . . 5 . H2' parsed_1la8 3
20 1 1 . . . . . . . . . 5 . H2'' parsed_1la8 3
20 1 2 . . . . . . . . . 5 . H8 parsed_1la8 3
21 1 1 . . . . . . . . . 5 . H2' parsed_1la8 3
21 1 1 . . . . . . . . . 5 . H2'' parsed_1la8 3
21 1 2 . . . . . . . . . 6 . H6 parsed_1la8 3
22 1 1 . . . . . . . . . 6 . H2'' parsed_1la8 3
22 1 2 . . . . . . . . . 6 . H1' parsed_1la8 3
23 1 1 . . . . . . . . . 6 . H2'' parsed_1la8 3
23 1 2 . . . . . . . . . 6 . H6 parsed_1la8 3
24 1 1 . . . . . . . . . 6 . H5' parsed_1la8 3
24 1 2 . . . . . . . . . 6 . H3' parsed_1la8 3
25 1 1 . . . . . . . . . 6 . H5'' parsed_1la8 3
25 1 2 . . . . . . . . . 6 . H3' parsed_1la8 3
26 1 1 . . . . . . . . . 7 . H5' parsed_1la8 3
26 1 1 . . . . . . . . . 7 . H5'' parsed_1la8 3
26 1 2 . . . . . . . . . 6 . H2' parsed_1la8 3
27 1 1 . . . . . . . . . 7 . H2' parsed_1la8 3
27 1 2 . . . . . . . . . 7 . H8 parsed_1la8 3
28 1 1 . . . . . . . . . 7 . H2'' parsed_1la8 3
28 1 2 . . . . . . . . . 7 . H1' parsed_1la8 3
29 1 1 . . . . . . . . . 7 . H2'' parsed_1la8 3
29 1 2 . . . . . . . . . 7 . H8 parsed_1la8 3
30 1 1 . . . . . . . . . 7 . H3' parsed_1la8 3
30 1 2 . . . . . . . . . 7 . H2'' parsed_1la8 3
31 1 1 . . . . . . . . . 7 . H5' parsed_1la8 3
31 1 1 . . . . . . . . . 7 . H5'' parsed_1la8 3
31 1 2 . . . . . . . . . 7 . H3' parsed_1la8 3
32 1 1 . . . . . . . . . 8 . H4' parsed_1la8 3
32 1 2 . . . . . . . . . 8 . H2' parsed_1la8 3
33 1 1 . . . . . . . . . 8 . H4' parsed_1la8 3
33 1 2 . . . . . . . . . 8 . H2'' parsed_1la8 3
34 1 1 . . . . . . . . . 9 . H2'' parsed_1la8 3
34 1 2 . . . . . . . . . 9 . H6 parsed_1la8 3
35 1 1 . . . . . . . . . 9 . H5' parsed_1la8 3
35 1 2 . . . . . . . . . 9 . H6 parsed_1la8 3
36 1 1 . . . . . . . . . 10 . H5 parsed_1la8 3
36 1 2 . . . . . . . . . 9 . H2' parsed_1la8 3
37 1 1 . . . . . . . . . 10 . H5 parsed_1la8 3
37 1 2 . . . . . . . . . 9 . H2'' parsed_1la8 3
38 1 1 . . . . . . . . . 10 . H5 parsed_1la8 3
38 1 2 . . . . . . . . . 9 . H6 parsed_1la8 3
39 1 1 . . . . . . . . . 10 . H2' parsed_1la8 3
39 1 2 . . . . . . . . . 10 . H5 parsed_1la8 3
40 1 1 . . . . . . . . . 10 . H2'' parsed_1la8 3
40 1 2 . . . . . . . . . 10 . H4' parsed_1la8 3
41 1 1 . . . . . . . . . 11 . H8 parsed_1la8 3
41 1 2 . . . . . . . . . 10 . H3' parsed_1la8 3
42 1 1 . . . . . . . . . 11 . H1' parsed_1la8 3
42 1 2 . . . . . . . . . 11 . H5' parsed_1la8 3
43 1 1 . . . . . . . . . 11 . H2' parsed_1la8 3
43 1 2 . . . . . . . . . 11 . H1' parsed_1la8 3
44 1 1 . . . . . . . . . 11 . H2' parsed_1la8 3
44 1 2 . . . . . . . . . 11 . H8 parsed_1la8 3
45 1 1 . . . . . . . . . 11 . H2'' parsed_1la8 3
45 1 2 . . . . . . . . . 11 . H1' parsed_1la8 3
46 1 1 . . . . . . . . . 11 . H4' parsed_1la8 3
46 1 2 . . . . . . . . . 11 . H2' parsed_1la8 3
47 1 1 . . . . . . . . . 11 . H4' parsed_1la8 3
47 1 2 . . . . . . . . . 11 . H2'' parsed_1la8 3
48 1 1 . . . . . . . . . 11 . H5'' parsed_1la8 3
48 1 2 . . . . . . . . . 11 . H3' parsed_1la8 3
49 1 1 . . . . . . . . . 11 . H5'' parsed_1la8 3
49 1 2 . . . . . . . . . 11 . H8 parsed_1la8 3
50 1 1 . . . . . . . . . 11 . H8 parsed_1la8 3
50 1 2 . . . . . . . . . 11 . H5' parsed_1la8 3
51 1 1 . . . . . . . . . 12 . H5'' parsed_1la8 3
51 1 2 . . . . . . . . . 11 . H1' parsed_1la8 3
52 1 1 . . . . . . . . . 12 . H3' parsed_1la8 3
52 1 2 . . . . . . . . . 12 . H6 parsed_1la8 3
53 1 1 . . . . . . . . . 12 . H4' parsed_1la8 3
53 1 2 . . . . . . . . . 12 . H2' parsed_1la8 3
54 1 1 . . . . . . . . . 12 . H4' parsed_1la8 3
54 1 2 . . . . . . . . . 12 . H2'' parsed_1la8 3
55 1 1 . . . . . . . . . 12 . H4' parsed_1la8 3
55 1 2 . . . . . . . . . 12 . H6 parsed_1la8 3
56 1 1 . . . . . . . . . 12 . H6 parsed_1la8 3
56 1 2 . . . . . . . . . 12 . H5'' parsed_1la8 3
57 1 1 . . . . . . . . . 13 . H8 parsed_1la8 3
57 1 2 . . . . . . . . . 12 . H3' parsed_1la8 3
58 1 1 . . . . . . . . . 13 . H2' parsed_1la8 3
58 1 2 . . . . . . . . . 13 . H1' parsed_1la8 3
59 1 1 . . . . . . . . . 13 . H2' parsed_1la8 3
59 1 2 . . . . . . . . . 13 . H8 parsed_1la8 3
60 1 1 . . . . . . . . . 13 . H3' parsed_1la8 3
60 1 2 . . . . . . . . . 13 . H2' parsed_1la8 3
61 1 1 . . . . . . . . . 13 . H4' parsed_1la8 3
61 1 2 . . . . . . . . . 13 . H2'' parsed_1la8 3
62 1 1 . . . . . . . . . 13 . H4' parsed_1la8 3
62 1 2 . . . . . . . . . 13 . H3' parsed_1la8 3
63 1 1 . . . . . . . . . 13 . H5' parsed_1la8 3
63 1 1 . . . . . . . . . 13 . H5'' parsed_1la8 3
63 1 2 . . . . . . . . . 13 . H3' parsed_1la8 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 . . . . . 2.82 2.52 4.12 parsed_1la8 3
2 1 . . . . . 2.92 2.62 3.77 parsed_1la8 3
3 1 . . . . . 2.59 2.29 2.89 parsed_1la8 3
4 1 . . . . . 2.37 2.07 2.67 parsed_1la8 3
5 1 . . . . . 2.26 1.96 2.56 parsed_1la8 3
6 1 . . . . . 3.55 3.25 3.85 parsed_1la8 3
7 1 . . . . . 3.74 3.44 4.04 parsed_1la8 3
8 1 . . . . . 3.70 3.40 4.00 parsed_1la8 3
9 1 . . . . . 3.25 2.45 3.55 parsed_1la8 3
10 1 . . . . . 4.38 4.08 5.18 parsed_1la8 3
11 1 . . . . . 3.45 3.15 4.25 parsed_1la8 3
12 1 . . . . . 2.78 2.48 3.08 parsed_1la8 3
13 1 . . . . . 2.83 2.53 3.13 parsed_1la8 3
14 1 . . . . . 3.23 2.93 3.53 parsed_1la8 3
15 1 . . . . . 3.62 3.32 4.92 parsed_1la8 3
16 1 . . . . . 3.23 2.93 4.53 parsed_1la8 3
17 1 . . . . . 3.35 2.95 3.75 parsed_1la8 3
18 1 . . . . . 3.09 2.73 3.45 parsed_1la8 3
19 1 . . . . . 2.02 1.70 2.33 parsed_1la8 3
20 1 . . . . . 3.00 2.70 3.40 parsed_1la8 3
21 1 . . . . . 3.52 3.18 3.86 parsed_1la8 3
22 1 . . . . . 2.18 1.88 2.48 parsed_1la8 3
23 1 . . . . . 3.33 2.58 4.08 parsed_1la8 3
24 1 . . . . . 3.44 2.56 4.32 parsed_1la8 3
25 1 . . . . . 3.09 2.69 3.50 parsed_1la8 3
26 1 . . . . . 4.27 3.06 5.48 parsed_1la8 3
27 1 . . . . . 1.94 1.52 2.86 parsed_1la8 3
28 1 . . . . . 1.97 1.56 2.38 parsed_1la8 3
29 1 . . . . . 3.02 2.57 3.58 parsed_1la8 3
30 1 . . . . . 2.04 1.60 2.79 parsed_1la8 3
31 1 . . . . . 2.60 2.08 3.12 parsed_1la8 3
32 1 . . . . . 3.70 3.40 4.00 parsed_1la8 3
33 1 . . . . . 3.26 2.81 4.21 parsed_1la8 3
34 1 . . . . . 3.44 3.09 3.99 parsed_1la8 3
35 1 . . . . . 3.11 2.54 4.18 parsed_1la8 3
36 1 . . . . . 3.24 2.94 3.54 parsed_1la8 3
37 1 . . . . . 3.10 2.80 3.40 parsed_1la8 3
38 1 . . . . . 3.34 3.04 3.94 parsed_1la8 3
39 1 . . . . . 3.41 3.08 4.23 parsed_1la8 3
40 1 . . . . . 3.99 3.69 4.29 parsed_1la8 3
41 1 . . . . . 4.75 4.45 5.05 parsed_1la8 3
42 1 . . . . . 4.42 4.12 4.72 parsed_1la8 3
43 1 . . . . . 2.86 2.56 3.16 parsed_1la8 3
44 1 . . . . . 2.32 2.02 2.62 parsed_1la8 3
45 1 . . . . . 2.25 1.95 2.55 parsed_1la8 3
46 1 . . . . . 3.48 3.18 3.78 parsed_1la8 3
47 1 . . . . . 3.61 3.31 3.91 parsed_1la8 3
48 1 . . . . . 2.66 2.36 2.96 parsed_1la8 3
49 1 . . . . . 4.46 4.16 4.76 parsed_1la8 3
50 1 . . . . . 3.95 3.65 4.25 parsed_1la8 3
51 1 . . . . . 3.78 3.44 4.78 parsed_1la8 3
52 1 . . . . . 3.24 2.94 4.04 parsed_1la8 3
53 1 . . . . . 3.68 3.38 3.90 parsed_1la8 3
54 1 . . . . . 3.80 3.50 3.99 parsed_1la8 3
55 1 . . . . . 4.63 4.33 4.82 parsed_1la8 3
56 1 . . . . . 4.41 4.11 4.71 parsed_1la8 3
57 1 . . . . . 3.85 3.55 5.15 parsed_1la8 3
58 1 . . . . . 3.33 2.89 3.77 parsed_1la8 3
59 1 . . . . . 2.31 2.01 2.61 parsed_1la8 3
60 1 . . . . . 2.70 2.40 3.00 parsed_1la8 3
61 1 . . . . . 3.84 3.54 4.14 parsed_1la8 3
62 1 . . . . . 2.41 2.02 2.79 parsed_1la8 3
63 1 . . . . . 3.31 2.81 3.61 parsed_1la8 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_1la8 3
2 ub+1.0 3 81 3 90 parsed_1la8 3
3 ub+0.5 4 81 4 90 parsed_1la8 3
4 +1 8 81 8 86 parsed_1la8 3
5 +0.5 9 81 9 88 parsed_1la8 3
6 lb-0.5 11 81 11 90 parsed_1la8 3
7 +1 12 81 12 85 parsed_1la8 3
8 +0.5 13 81 13 88 parsed_1la8 3
9
;
ub+1.0
assign ( resid 4 and name H5' )( resid 3 and name H1' ) 3.96 0.19 0.19 ! +1
;
17 81 18 88 parsed_1la8 3
10 ub+1.0 19 81 19 90 parsed_1la8 3
11 +1 32 81 32 86 parsed_1la8 3
12 ub+0.5 35 81 35 90 parsed_1la8 3
13 ub+0.5 37 81 37 90 parsed_1la8 3
14 ub+0.3 38 81 38 90 parsed_1la8 3
15 +0.8 41 81 41 88 parsed_1la8 3
16 ub+0.5 42 81 42 90 parsed_1la8 3
17 +1 43 81 43 86 parsed_1la8 3
18 ub+0.3 47 81 47 90 parsed_1la8 3
19 ub+0.5 48 81 48 90 parsed_1la8 3
20 +1 49 81 49 86 parsed_1la8 3
21 +1 50 81 50 86 parsed_1la8 3
22 +1 51 81 51 85 parsed_1la8 3
23 +0.4 52 81 52 88 parsed_1la8 3
24 +0.6 58 81 58 89 parsed_1la8 3
25 +0.6 59 81 59 88 parsed_1la8 3
26 ub+0.5 60 81 60 90 parsed_1la8 3
27 ub+0.5 61 81 61 90 parsed_1la8 3
28 +0.5 62 81 62 88 parsed_1la8 3
29 +0.8 63 81 63 88 parsed_1la8 3
30 +1 64 81 64 86 parsed_1la8 3
31 +1 65 81 65 86 parsed_1la8 3
32 ub+1.0 66 81 66 90 parsed_1la8 3
33 "assign ( resid 13 and name H3' )( resid 13 and name H2'' ) 0.00 0.00 0.00" 70 1 70 84 parsed_1la8 3
34 +0.8 71 81 71 88 parsed_1la8 3
35 -1 72 81 72 86 parsed_1la8 3
36 lb-0.2 74 81 74 89 parsed_1la8 3
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1la8
_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_1la8 4
2 1 . . . parsed_1la8 4
3 1 . . . parsed_1la8 4
4 1 . . . parsed_1la8 4
5 1 . . . parsed_1la8 4
6 1 . . . parsed_1la8 4
7 1 . . . parsed_1la8 4
8 1 . . . parsed_1la8 4
9 1 . . . parsed_1la8 4
10 1 . . . parsed_1la8 4
11 1 . . . parsed_1la8 4
12 1 . . . parsed_1la8 4
13 1 . . . parsed_1la8 4
14 1 . . . parsed_1la8 4
15 1 . . . parsed_1la8 4
16 1 . . . parsed_1la8 4
17 1 . . . parsed_1la8 4
18 1 . . . parsed_1la8 4
19 1 . . . parsed_1la8 4
20 1 . . . parsed_1la8 4
21 1 . . . parsed_1la8 4
22 1 . . . parsed_1la8 4
23 1 . . . parsed_1la8 4
24 1 . . . parsed_1la8 4
25 1 . . . parsed_1la8 4
26 1 . . . parsed_1la8 4
27 1 . . . parsed_1la8 4
28 1 . . . parsed_1la8 4
29 1 . . . parsed_1la8 4
30 1 . . . parsed_1la8 4
31 1 . . . parsed_1la8 4
32 1 . . . parsed_1la8 4
33 1 . . . parsed_1la8 4
34 1 . . . parsed_1la8 4
35 1 . . . parsed_1la8 4
36 1 . . . parsed_1la8 4
37 1 . . . parsed_1la8 4
38 1 . . . parsed_1la8 4
39 1 . . . parsed_1la8 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 . . . . . . . . . 1 . H2'' parsed_1la8 4
1 1 2 . . . . . . . . . 1 . H1' parsed_1la8 4
2 1 1 . . . . . . . . . 1 . H2'' parsed_1la8 4
2 1 2 . . . . . . . . . 1 . H6 parsed_1la8 4
3 1 1 . . . . . . . . . 1 . H4' parsed_1la8 4
3 1 2 . . . . . . . . . 1 . H6 parsed_1la8 4
4 1 1 . . . . . . . . . 1 . H5' parsed_1la8 4
4 1 1 . . . . . . . . . 1 . H5'' parsed_1la8 4
4 1 2 . . . . . . . . . 1 . H6 parsed_1la8 4
5 1 1 . . . . . . . . . 3 . H6 parsed_1la8 4
5 1 2 . . . . . . . . . 3 . H5' parsed_1la8 4
6 1 1 . . . . . . . . . 4 . H2' parsed_1la8 4
6 1 1 . . . . . . . . . 4 . H2'' parsed_1la8 4
6 1 2 . . . . . . . . . 5 . H8 parsed_1la8 4
7 1 1 . . . . . . . . . 5 . H8 parsed_1la8 4
7 1 2 . . . . . . . . . 5 . H1' parsed_1la8 4
8 1 1 . . . . . . . . . 5 . H8 parsed_1la8 4
8 1 2 . . . . . . . . . 5 . H5' parsed_1la8 4
9 1 1 . . . . . . . . . 6 . H3' parsed_1la8 4
9 1 2 . . . . . . . . . 6 . H2'' parsed_1la8 4
10 1 1 . . . . . . . . . 6 . H5'' parsed_1la8 4
10 1 2 . . . . . . . . . 6 . H6 parsed_1la8 4
11 1 1 . . . . . . . . . 7 . H2' parsed_1la8 4
11 1 2 . . . . . . . . . 7 . H1' parsed_1la8 4
12 1 1 . . . . . . . . . 7 . H3' parsed_1la8 4
12 1 2 . . . . . . . . . 7 . H2' parsed_1la8 4
13 1 1 . . . . . . . . . 9 . H3' parsed_1la8 4
13 1 2 . . . . . . . . . 9 . H5'' parsed_1la8 4
14 1 1 . . . . . . . . . 9 . H4' parsed_1la8 4
14 1 2 . . . . . . . . . 9 . H3' parsed_1la8 4
15 1 1 . . . . . . . . . 1 . n4 parsed_1la8 4
15 1 2 . . . . . . . . . 13 . o6 parsed_1la8 4
16 1 1 . . . . . . . . . 1 . n3 parsed_1la8 4
16 1 2 . . . . . . . . . 13 . n1 parsed_1la8 4
17 1 1 . . . . . . . . . 1 . o2 parsed_1la8 4
17 1 2 . . . . . . . . . 13 . n2 parsed_1la8 4
18 1 1 . . . . . . . . . 1 . n3 parsed_1la8 4
18 1 2 . . . . . . . . . 13 . n2 parsed_1la8 4
19 1 1 . . . . . . . . . 1 . o2 parsed_1la8 4
19 1 2 . . . . . . . . . 13 . o6 parsed_1la8 4
20 1 1 . . . . . . . . . 2 . o6 parsed_1la8 4
20 1 2 . . . . . . . . . 12 . n4 parsed_1la8 4
21 1 1 . . . . . . . . . 2 . n1 parsed_1la8 4
21 1 2 . . . . . . . . . 12 . n3 parsed_1la8 4
22 1 1 . . . . . . . . . 2 . n2 parsed_1la8 4
22 1 2 . . . . . . . . . 12 . o2 parsed_1la8 4
23 1 1 . . . . . . . . . 2 . n2 parsed_1la8 4
23 1 2 . . . . . . . . . 12 . n3 parsed_1la8 4
24 1 1 . . . . . . . . . 2 . o6 parsed_1la8 4
24 1 2 . . . . . . . . . 12 . o2 parsed_1la8 4
25 1 1 . . . . . . . . . 3 . n4 parsed_1la8 4
25 1 2 . . . . . . . . . 11 . o6 parsed_1la8 4
26 1 1 . . . . . . . . . 3 . n3 parsed_1la8 4
26 1 2 . . . . . . . . . 11 . n1 parsed_1la8 4
27 1 1 . . . . . . . . . 3 . o2 parsed_1la8 4
27 1 2 . . . . . . . . . 11 . n2 parsed_1la8 4
28 1 1 . . . . . . . . . 3 . n3 parsed_1la8 4
28 1 2 . . . . . . . . . 11 . n2 parsed_1la8 4
29 1 1 . . . . . . . . . 3 . o2 parsed_1la8 4
29 1 2 . . . . . . . . . 11 . o6 parsed_1la8 4
30 1 1 . . . . . . . . . 4 . o6 parsed_1la8 4
30 1 2 . . . . . . . . . 10 . n4 parsed_1la8 4
31 1 1 . . . . . . . . . 4 . n1 parsed_1la8 4
31 1 2 . . . . . . . . . 10 . n3 parsed_1la8 4
32 1 1 . . . . . . . . . 4 . n2 parsed_1la8 4
32 1 2 . . . . . . . . . 10 . o2 parsed_1la8 4
33 1 1 . . . . . . . . . 4 . n2 parsed_1la8 4
33 1 2 . . . . . . . . . 10 . n3 parsed_1la8 4
34 1 1 . . . . . . . . . 4 . o6 parsed_1la8 4
34 1 2 . . . . . . . . . 10 . o2 parsed_1la8 4
35 1 1 . . . . . . . . . 5 . o6 parsed_1la8 4
35 1 2 . . . . . . . . . 9 . n4 parsed_1la8 4
36 1 1 . . . . . . . . . 5 . n1 parsed_1la8 4
36 1 2 . . . . . . . . . 9 . n3 parsed_1la8 4
37 1 1 . . . . . . . . . 5 . n2 parsed_1la8 4
37 1 2 . . . . . . . . . 9 . o2 parsed_1la8 4
38 1 1 . . . . . . . . . 5 . n2 parsed_1la8 4
38 1 2 . . . . . . . . . 9 . n3 parsed_1la8 4
39 1 1 . . . . . . . . . 5 . o6 parsed_1la8 4
39 1 2 . . . . . . . . . 9 . o2 parsed_1la8 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 . . . . . 2.44 2.14 2.74 parsed_1la8 4
2 1 . . . . . 3.67 3.37 3.97 parsed_1la8 4
3 1 . . . . . 3.29 2.99 4.59 parsed_1la8 4
4 1 . . . . . 3.75 3.45 4.05 parsed_1la8 4
5 1 . . . . . 4.00 3.39 4.61 parsed_1la8 4
6 1 . . . . . 3.70 3.40 4.00 parsed_1la8 4
7 1 . . . . . 3.83 2.77 4.89 parsed_1la8 4
8 1 . . . . . 3.05 2.75 3.35 parsed_1la8 4
9 1 . . . . . 2.74 2.37 3.10 parsed_1la8 4
10 1 . . . . . 4.61 3.87 5.35 parsed_1la8 4
11 1 . . . . . 2.61 1.86 3.36 parsed_1la8 4
12 1 . . . . . 2.02 1.59 2.44 parsed_1la8 4
13 1 . . . . . 2.49 1.67 3.31 parsed_1la8 4
14 1 . . . . . 2.42 1.49 3.20 parsed_1la8 4
15 1 . . . . . 2.91 2.86 2.96 parsed_1la8 4
16 1 . . . . . 2.95 2.90 3.00 parsed_1la8 4
17 1 . . . . . 2.86 2.81 2.91 parsed_1la8 4
18 1 . . . . . 3.65 3.60 3.70 parsed_1la8 4
19 1 . . . . . 5.42 5.37 5.47 parsed_1la8 4
20 1 . . . . . 2.91 2.86 2.96 parsed_1la8 4
21 1 . . . . . 2.95 2.90 3.00 parsed_1la8 4
22 1 . . . . . 2.86 2.81 2.91 parsed_1la8 4
23 1 . . . . . 3.65 3.60 3.70 parsed_1la8 4
24 1 . . . . . 5.42 5.37 5.47 parsed_1la8 4
25 1 . . . . . 2.91 2.86 2.96 parsed_1la8 4
26 1 . . . . . 2.95 2.90 3.00 parsed_1la8 4
27 1 . . . . . 2.86 2.81 2.91 parsed_1la8 4
28 1 . . . . . 3.65 3.60 3.70 parsed_1la8 4
29 1 . . . . . 5.42 5.37 5.47 parsed_1la8 4
30 1 . . . . . 2.91 2.86 2.96 parsed_1la8 4
31 1 . . . . . 2.95 2.90 3.00 parsed_1la8 4
32 1 . . . . . 2.86 2.81 2.91 parsed_1la8 4
33 1 . . . . . 3.65 3.60 3.70 parsed_1la8 4
34 1 . . . . . 5.42 5.37 5.47 parsed_1la8 4
35 1 . . . . . 2.91 2.81 3.01 parsed_1la8 4
36 1 . . . . . 2.95 2.85 3.05 parsed_1la8 4
37 1 . . . . . 2.86 2.76 2.96 parsed_1la8 4
38 1 . . . . . 3.65 3.55 3.75 parsed_1la8 4
39 1 . . . . . 5.42 5.32 5.52 parsed_1la8 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_1la8 4
2 +1 4 81 4 87 parsed_1la8 4
3 ub+1.0 5 81 5 90 parsed_1la8 4
4 +0.5 13 81 13 88 parsed_1la8 4
5 +1 14 81 14 86 parsed_1la8 4
6
;
-2
Base Pairing Distance Restraints
;
18 81 21 35 parsed_1la8 4
stop_
save_
save_MR_file_comment_6
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1la8
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 6
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! Backbone Dihedral Angle Restraints
set message=off echo=off end
;
save_
save_CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1la8
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -150.0 . . 1 . C4' . 1 . C3' . 1 . O3' . 2 . P parsed_1la8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -160.0 . . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P parsed_1la8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.5 -153.5 . . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P parsed_1la8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.5 -153.5 . . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P parsed_1la8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.5 -151.5 . . 5 . C4' . 5 . C3' . 5 . O3' . 6 . P parsed_1la8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -149.0 . . 6 . C4' . 6 . C3' . 6 . O3' . 7 . P parsed_1la8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.0 -151.0 . . 7 . C4' . 7 . C3' . 7 . O3' . 8 . P parsed_1la8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -145.0 . . 8 . C4' . 8 . C3' . 8 . O3' . 9 . P parsed_1la8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -156.0 . . 9 . C4' . 9 . C3' . 9 . O3' . 10 . P parsed_1la8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -154.0 . . 10 . C4' . 10 . C3' . 10 . O3' . 11 . P parsed_1la8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.5 -159.5 . . 11 . C4' . 11 . C3' . 11 . O3' . 12 . P parsed_1la8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -156.0 . . 12 . C4' . 12 . C3' . 12 . O3' . 13 . P parsed_1la8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.0 -121.0 . . 1 . C3' . 1 . O3' . 2 . P . 2 . O5' parsed_1la8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -109.0 . . 2 . C3' . 2 . O3' . 3 . P . 3 . O5' parsed_1la8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 -117.0 . . 3 . C3' . 3 . O3' . 4 . P . 4 . O5' parsed_1la8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.0 -112.0 . . 4 . C3' . 4 . O3' . 5 . P . 5 . O5' parsed_1la8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 -108.0 . . 9 . C3' . 9 . O3' . 10 . P . 10 . O5' parsed_1la8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -116.0 . . 10 . C3' . 10 . O3' . 11 . P . 11 . O5' parsed_1la8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -110.0 . . 11 . C3' . 11 . O3' . 12 . P . 12 . O5' parsed_1la8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.0 -114.0 . . 12 . C3' . 12 . O3' . 13 . P . 13 . O5' parsed_1la8 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 1 . O5' . 1 . C5' . 1 . C4' . 1 . C3' parsed_1la8 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 2 . O5' . 2 . C5' . 2 . C4' . 2 . C3' parsed_1la8 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 3 . O5' . 3 . C5' . 3 . C4' . 3 . C3' parsed_1la8 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 4 . O5' . 4 . C5' . 4 . C4' . 4 . C3' parsed_1la8 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 5 . O5' . 5 . C5' . 5 . C4' . 5 . C3' parsed_1la8 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 6 . O5' . 6 . C5' . 6 . C4' . 6 . C3' parsed_1la8 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 7 . O5' . 7 . C5' . 7 . C4' . 7 . C3' parsed_1la8 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 8 . O5' . 8 . C5' . 8 . C4' . 8 . C3' parsed_1la8 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -30.0 . . 9 . O5' . 9 . C5' . 9 . C4' . 9 . C3' parsed_1la8 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 10 . O5' . 10 . C5' . 10 . C4' . 10 . C3' parsed_1la8 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 11 . O5' . 11 . C5' . 11 . C4' . 11 . C3' parsed_1la8 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 12 . O5' . 12 . C5' . 12 . C4' . 12 . C3' parsed_1la8 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 13 . O5' . 13 . C5' . 13 . C4' . 13 . C3' parsed_1la8 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_1la8 1
2 "backbone zeta angles" 26 1 26 23 parsed_1la8 1
3
;
assign (resid 5 and name C3') (resid 5 and name O3')
(resid 6 and name P ) (resid 6 and name O5') 40.0 -124.0 10.0 2
;
35 1 36 79 parsed_1la8 1
4
;
backbone alpha angle
assign (resid 5 and name O3') (resid 6 and name P )
(resid 6 and name O5') (resid 6 and name C5') 40.0 -95.0 5.0 2
backbone gamma angles
;
45 1 48 24 parsed_1la8 1
stop_
save_
save_MR_file_comment_8
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1la8
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 8
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on echo=on end
! Sugar Dihedral Angle Restraints
set message=off echo=off end
;
save_
save_CNS/XPLOR_dihedral_9
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1la8
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 9
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.5 2.5 . . 1 . C4' . 1 . O4' . 1 . C1' . 1 . C2' parsed_1la8 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.0 40.0 . . 1 . O4' . 1 . C1' . 1 . C2' . 1 . C3' parsed_1la8 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -32.5 . . 1 . C1' . 1 . C2' . 1 . C3' . 1 . C4' parsed_1la8 2
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 39.0 . . 1 . C2' . 1 . C3' . 1 . C4' . 1 . O4' parsed_1la8 2
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.0 12.0 . . 1 . C3' . 1 . C4' . 1 . O4' . 1 . C1' parsed_1la8 2
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 -6.0 . . 2 . C4' . 2 . O4' . 2 . C1' . 2 . C2' parsed_1la8 2
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.0 40.0 . . 2 . O4' . 2 . C1' . 2 . C2' . 2 . C3' parsed_1la8 2
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.5 -33.5 . . 2 . C1' . 2 . C2' . 2 . C3' . 2 . C4' parsed_1la8 2
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13.0 36.0 . . 2 . C2' . 2 . C3' . 2 . C4' . 2 . O4' parsed_1la8 2
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.0 12.0 . . 2 . C3' . 2 . C4' . 2 . O4' . 2 . C1' parsed_1la8 2
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -1.5 . . 3 . C4' . 3 . O4' . 3 . C1' . 3 . C2' parsed_1la8 2
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 40.0 . . 3 . O4' . 3 . C1' . 3 . C2' . 3 . C3' parsed_1la8 2
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 -28.0 . . 3 . C1' . 3 . C2' . 3 . C3' . 3 . C4' parsed_1la8 2
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 38.0 . . 3 . C2' . 3 . C3' . 3 . C4' . 3 . O4' parsed_1la8 2
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.0 18.0 . . 3 . C3' . 3 . C4' . 3 . O4' . 3 . C1' parsed_1la8 2
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.0 32.0 . . 4 . C4' . 4 . O4' . 4 . C1' . 4 . C2' parsed_1la8 2
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.0 40.0 . . 4 . O4' . 4 . C1' . 4 . C2' . 4 . C3' parsed_1la8 2
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.5 -14.5 . . 4 . C1' . 4 . C2' . 4 . C3' . 4 . C4' parsed_1la8 2
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 33.0 . . 4 . C2' . 4 . C3' . 4 . C4' . 4 . O4' parsed_1la8 2
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.5 14.5 . . 4 . C3' . 4 . C4' . 4 . O4' . 4 . C1' parsed_1la8 2
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.0 34.0 . . 5 . C4' . 5 . O4' . 5 . C1' . 5 . C2' parsed_1la8 2
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -14.0 40.0 . . 5 . O4' . 5 . C1' . 5 . C2' . 5 . C3' parsed_1la8 2
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.0 -10.0 . . 5 . C1' . 5 . C2' . 5 . C3' . 5 . C4' parsed_1la8 2
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 31.0 . . 5 . C2' . 5 . C3' . 5 . C4' . 5 . O4' parsed_1la8 2
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 18.0 . . 5 . C3' . 5 . C4' . 5 . O4' . 5 . C1' parsed_1la8 2
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.5 -1.5 . . 6 . C4' . 6 . O4' . 6 . C1' . 6 . C2' parsed_1la8 2
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 40.0 . . 6 . O4' . 6 . C1' . 6 . C2' . 6 . C3' parsed_1la8 2
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -31.5 . . 6 . C1' . 6 . C2' . 6 . C3' . 6 . C4' parsed_1la8 2
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 38.0 . . 6 . C2' . 6 . C3' . 6 . C4' . 6 . O4' parsed_1la8 2
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.0 15.0 . . 6 . C3' . 6 . C4' . 6 . O4' . 6 . C1' parsed_1la8 2
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.5 0.5 . . 7 . C4' . 7 . O4' . 7 . C1' . 7 . C2' parsed_1la8 2
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 40.0 . . 7 . O4' . 7 . C1' . 7 . C2' . 7 . C3' parsed_1la8 2
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -31.5 . . 7 . C1' . 7 . C2' . 7 . C3' . 7 . C4' parsed_1la8 2
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 38.0 . . 7 . C2' . 7 . C3' . 7 . C4' . 7 . O4' parsed_1la8 2
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 15.0 . . 7 . C3' . 7 . C4' . 7 . O4' . 7 . C1' parsed_1la8 2
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.0 0.0 . . 8 . C4' . 8 . O4' . 8 . C1' . 8 . C2' parsed_1la8 2
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 40.0 . . 8 . O4' . 8 . C1' . 8 . C2' . 8 . C3' parsed_1la8 2
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -31.5 . . 8 . C1' . 8 . C2' . 8 . C3' . 8 . C4' parsed_1la8 2
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 38.0 . . 8 . C2' . 8 . C3' . 8 . C4' . 8 . O4' parsed_1la8 2
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.0 15.0 . . 8 . C3' . 8 . C4' . 8 . O4' . 8 . C1' parsed_1la8 2
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 0.0 . . 9 . C4' . 9 . O4' . 9 . C1' . 9 . C2' parsed_1la8 2
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 40.0 . . 9 . O4' . 9 . C1' . 9 . C2' . 9 . C3' parsed_1la8 2
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 -32.0 . . 9 . C1' . 9 . C2' . 9 . C3' . 9 . C4' parsed_1la8 2
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 38.0 . . 9 . C2' . 9 . C3' . 9 . C4' . 9 . O4' parsed_1la8 2
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.0 12.0 . . 9 . C3' . 9 . C4' . 9 . O4' . 9 . C1' parsed_1la8 2
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -3.0 . . 10 . C4' . 10 . O4' . 10 . C1' . 10 . C2' parsed_1la8 2
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.0 40.0 . . 10 . O4' . 10 . C1' . 10 . C2' . 10 . C3' parsed_1la8 2
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.5 -30.5 . . 10 . C1' . 10 . C2' . 10 . C3' . 10 . C4' parsed_1la8 2
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8.0 37.0 . . 10 . C2' . 10 . C3' . 10 . C4' . 10 . O4' parsed_1la8 2
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.0 16.0 . . 10 . C3' . 10 . C4' . 10 . O4' . 10 . C1' parsed_1la8 2
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 -6.0 . . 11 . C4' . 11 . O4' . 11 . C1' . 11 . C2' parsed_1la8 2
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.0 40.0 . . 11 . O4' . 11 . C1' . 11 . C2' . 11 . C3' parsed_1la8 2
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -32.0 . . 11 . C1' . 11 . C2' . 11 . C3' . 11 . C4' parsed_1la8 2
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 36.0 . . 11 . C2' . 11 . C3' . 11 . C4' . 11 . O4' parsed_1la8 2
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.0 12.0 . . 11 . C3' . 11 . C4' . 11 . O4' . 11 . C1' parsed_1la8 2
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.5 2.5 . . 12 . C4' . 12 . O4' . 12 . C1' . 12 . C2' parsed_1la8 2
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.0 40.0 . . 12 . O4' . 12 . C1' . 12 . C2' . 12 . C3' parsed_1la8 2
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -35.0 . . 12 . C1' . 12 . C2' . 12 . C3' . 12 . C4' parsed_1la8 2
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16.0 39.0 . . 12 . C2' . 12 . C3' . 12 . C4' . 12 . O4' parsed_1la8 2
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.0 8.0 . . 12 . C3' . 12 . C4' . 12 . O4' . 12 . C1' parsed_1la8 2
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 6.0 . . 13 . C4' . 13 . O4' . 13 . C1' . 13 . C2' parsed_1la8 2
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.0 40.0 . . 13 . O4' . 13 . C1' . 13 . C2' . 13 . C3' parsed_1la8 2
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -35.5 . . 13 . C1' . 13 . C2' . 13 . C3' . 13 . C4' parsed_1la8 2
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16.0 39.0 . . 13 . C2' . 13 . C3' . 13 . C4' . 13 . O4' parsed_1la8 2
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.0 8.0 . . 13 . C3' . 13 . C4' . 13 . O4' . 13 . C1' parsed_1la8 2
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -110.0 . . 9 . O4' . 9 . C1' . 9 . N1 . 9 . C2 parsed_1la8 2
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "chi angle" 132 1 132 12 parsed_1la8 2
stop_
save_
save_MR_file_comment_10
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1la8
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 10
_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_11
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1la8
_Torsion_angle_constraint_list.ID 3
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 11
_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_1la8 3
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 13 . C2 . 13 . N1 . 1 . N3 . 1 . C4 parsed_1la8 3
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 2 . C2 . 2 . N1 . 12 . N3 . 12 . C2 parsed_1la8 3
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 2 . C2 . 2 . N1 . 12 . N3 . 12 . C4 parsed_1la8 3
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 11 . C2 . 11 . N1 . 3 . N3 . 3 . C2 parsed_1la8 3
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 11 . C2 . 11 . N1 . 3 . N3 . 3 . C4 parsed_1la8 3
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 4 . C2 . 4 . N1 . 10 . N3 . 10 . C2 parsed_1la8 3
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 4 . C2 . 4 . N1 . 10 . N3 . 10 . C4 parsed_1la8 3
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 5 . C2 . 5 . N1 . 9 . N3 . 9 . C2 parsed_1la8 3
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 5 . C2 . 5 . N1 . 9 . N3 . 9 . C4 parsed_1la8 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 1 1 22 parsed_1la8 3
stop_
save_
save_MR_file_comment_12
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1la8
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 12
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on echo=on end
;
save_
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