NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
52272 |
2kf8   |
cing | 2-parsed | STAR | entry | full | 114 |
data_2kf8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kf8
_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_2kf8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kf8
_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 2kf8 "Master copy" parsed_2kf8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kf8
_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 2kf8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kf8 1
1 2kf8.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 94 parsed_2kf8 1
1 2kf8.mr . . XPLOR/CNS 3 planarity "Not applicable" "Not applicable" 0 parsed_2kf8 1
1 2kf8.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_2kf8 1
1 2kf8.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kf8 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_2kf8
_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 12-FEB-09 2KF8
*TITLE STRUCTURE OF A TWO-G-TETRAD BASKET-TYPE INTRAMOLECULAR G-
*TITLE 2 QUADRUPLEX FORMED BY HUMAN TELOMERIC REPEATS IN K+ SOLUTION
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: HUMAN TELOMERE DNA;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: NUCLEOTIDE SYNTHESIS
*KEYWDS ANTICANCER TARGETS, HUMAN TELOMERE, INTRAMOLECULAR G-
*KEYWDS 2 QUADRUPLEXES, DNA
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR K.W.LIM, S.AMRANE, S.BOUAZIZ, W.XU, Y.MU, D.J.PATEL,
*AUTHOR 2 K.N.LUU, A.T.PHAN
*REVDAT 1 24-MAR-09 2KF8 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kf8
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_2kf8 1
2 1 . . . parsed_2kf8 1
3 1 . . . parsed_2kf8 1
4 1 . . . parsed_2kf8 1
5 1 . . . parsed_2kf8 1
6 1 . . . parsed_2kf8 1
7 1 . . . parsed_2kf8 1
8 1 . . . parsed_2kf8 1
9 1 . . . parsed_2kf8 1
10 1 . . . parsed_2kf8 1
11 1 . . . parsed_2kf8 1
12 1 . . . parsed_2kf8 1
13 1 . . . parsed_2kf8 1
14 1 . . . parsed_2kf8 1
15 1 . . . parsed_2kf8 1
16 1 . . . parsed_2kf8 1
17 1 . . . parsed_2kf8 1
18 1 . . . parsed_2kf8 1
19 1 . . . parsed_2kf8 1
20 1 . . . parsed_2kf8 1
21 1 . . . parsed_2kf8 1
22 1 . . . parsed_2kf8 1
23 1 . . . parsed_2kf8 1
24 1 . . . parsed_2kf8 1
25 1 . . . parsed_2kf8 1
26 1 . . . parsed_2kf8 1
27 1 . . . parsed_2kf8 1
28 1 . . . parsed_2kf8 1
29 1 . . . parsed_2kf8 1
30 1 . . . parsed_2kf8 1
31 1 . . . parsed_2kf8 1
32 1 . . . parsed_2kf8 1
33 1 . . . parsed_2kf8 1
34 1 . . . parsed_2kf8 1
35 1 . . . parsed_2kf8 1
36 1 . . . parsed_2kf8 1
37 1 . . . parsed_2kf8 1
38 1 . . . parsed_2kf8 1
39 1 . . . parsed_2kf8 1
40 1 . . . parsed_2kf8 1
41 1 . . . parsed_2kf8 1
42 1 . . . parsed_2kf8 1
43 1 . . . parsed_2kf8 1
44 1 . . . parsed_2kf8 1
45 1 . . . parsed_2kf8 1
46 1 . . . parsed_2kf8 1
47 1 . . . parsed_2kf8 1
48 1 . . . parsed_2kf8 1
49 1 . . . parsed_2kf8 1
50 1 . . . parsed_2kf8 1
51 1 . . . parsed_2kf8 1
52 1 . . . parsed_2kf8 1
53 1 . . . parsed_2kf8 1
54 1 . . . parsed_2kf8 1
55 1 . . . parsed_2kf8 1
56 1 . . . parsed_2kf8 1
57 1 . . . parsed_2kf8 1
58 1 . . . parsed_2kf8 1
59 1 . . . parsed_2kf8 1
60 1 . . . parsed_2kf8 1
61 1 . . . parsed_2kf8 1
62 1 . . . parsed_2kf8 1
63 1 . . . parsed_2kf8 1
64 1 . . . parsed_2kf8 1
65 1 . . . parsed_2kf8 1
66 1 . . . parsed_2kf8 1
67 1 . . . parsed_2kf8 1
68 1 . . . parsed_2kf8 1
69 1 . . . parsed_2kf8 1
70 1 . . . parsed_2kf8 1
71 1 . . . parsed_2kf8 1
72 1 . . . parsed_2kf8 1
73 1 . . . parsed_2kf8 1
74 1 . . . parsed_2kf8 1
75 1 . . . parsed_2kf8 1
76 1 . . . parsed_2kf8 1
77 1 . . . parsed_2kf8 1
78 1 . . . parsed_2kf8 1
79 1 . . . parsed_2kf8 1
80 1 . . . parsed_2kf8 1
81 1 . . . parsed_2kf8 1
82 1 . . . parsed_2kf8 1
83 1 . . . parsed_2kf8 1
84 1 . . . parsed_2kf8 1
85 1 . . . parsed_2kf8 1
86 1 . . . parsed_2kf8 1
87 1 . . . parsed_2kf8 1
88 1 . . . parsed_2kf8 1
89 1 . . . parsed_2kf8 1
90 1 . . . parsed_2kf8 1
91 1 . . . parsed_2kf8 1
92 1 . . . parsed_2kf8 1
93 1 . . . parsed_2kf8 1
94 1 . . . parsed_2kf8 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 . . . . . . . . DNA1 1 . H21 parsed_2kf8 1
1 1 2 . . . . . . . . DNA1 14 . N7 parsed_2kf8 1
2 1 1 . . . . . . . . DNA1 1 . N2 parsed_2kf8 1
2 1 2 . . . . . . . . DNA1 14 . N7 parsed_2kf8 1
3 1 1 . . . . . . . . DNA1 1 . H1 parsed_2kf8 1
3 1 2 . . . . . . . . DNA1 14 . O6 parsed_2kf8 1
4 1 1 . . . . . . . . DNA1 1 . N1 parsed_2kf8 1
4 1 2 . . . . . . . . DNA1 14 . O6 parsed_2kf8 1
5 1 1 . . . . . . . . DNA1 14 . H21 parsed_2kf8 1
5 1 2 . . . . . . . . DNA1 20 . N7 parsed_2kf8 1
6 1 1 . . . . . . . . DNA1 14 . N2 parsed_2kf8 1
6 1 2 . . . . . . . . DNA1 20 . N7 parsed_2kf8 1
7 1 1 . . . . . . . . DNA1 14 . H1 parsed_2kf8 1
7 1 2 . . . . . . . . DNA1 20 . O6 parsed_2kf8 1
8 1 1 . . . . . . . . DNA1 14 . N1 parsed_2kf8 1
8 1 2 . . . . . . . . DNA1 20 . O6 parsed_2kf8 1
9 1 1 . . . . . . . . DNA1 20 . H21 parsed_2kf8 1
9 1 2 . . . . . . . . DNA1 8 . N7 parsed_2kf8 1
10 1 1 . . . . . . . . DNA1 20 . N2 parsed_2kf8 1
10 1 2 . . . . . . . . DNA1 8 . N7 parsed_2kf8 1
11 1 1 . . . . . . . . DNA1 20 . H1 parsed_2kf8 1
11 1 2 . . . . . . . . DNA1 8 . O6 parsed_2kf8 1
12 1 1 . . . . . . . . DNA1 20 . N1 parsed_2kf8 1
12 1 2 . . . . . . . . DNA1 8 . O6 parsed_2kf8 1
13 1 1 . . . . . . . . DNA1 8 . H21 parsed_2kf8 1
13 1 2 . . . . . . . . DNA1 1 . N7 parsed_2kf8 1
14 1 1 . . . . . . . . DNA1 8 . N2 parsed_2kf8 1
14 1 2 . . . . . . . . DNA1 1 . N7 parsed_2kf8 1
15 1 1 . . . . . . . . DNA1 8 . H1 parsed_2kf8 1
15 1 2 . . . . . . . . DNA1 1 . O6 parsed_2kf8 1
16 1 1 . . . . . . . . DNA1 8 . N1 parsed_2kf8 1
16 1 2 . . . . . . . . DNA1 1 . O6 parsed_2kf8 1
17 1 1 . . . . . . . . DNA1 2 . H21 parsed_2kf8 1
17 1 2 . . . . . . . . DNA1 7 . N7 parsed_2kf8 1
18 1 1 . . . . . . . . DNA1 2 . N2 parsed_2kf8 1
18 1 2 . . . . . . . . DNA1 7 . N7 parsed_2kf8 1
19 1 1 . . . . . . . . DNA1 2 . H1 parsed_2kf8 1
19 1 2 . . . . . . . . DNA1 7 . O6 parsed_2kf8 1
20 1 1 . . . . . . . . DNA1 2 . N1 parsed_2kf8 1
20 1 2 . . . . . . . . DNA1 7 . O6 parsed_2kf8 1
21 1 1 . . . . . . . . DNA1 7 . H21 parsed_2kf8 1
21 1 2 . . . . . . . . DNA1 19 . N7 parsed_2kf8 1
22 1 1 . . . . . . . . DNA1 7 . N2 parsed_2kf8 1
22 1 2 . . . . . . . . DNA1 19 . N7 parsed_2kf8 1
23 1 1 . . . . . . . . DNA1 7 . H1 parsed_2kf8 1
23 1 2 . . . . . . . . DNA1 19 . O6 parsed_2kf8 1
24 1 1 . . . . . . . . DNA1 7 . N1 parsed_2kf8 1
24 1 2 . . . . . . . . DNA1 19 . O6 parsed_2kf8 1
25 1 1 . . . . . . . . DNA1 19 . H21 parsed_2kf8 1
25 1 2 . . . . . . . . DNA1 15 . N7 parsed_2kf8 1
26 1 1 . . . . . . . . DNA1 19 . N2 parsed_2kf8 1
26 1 2 . . . . . . . . DNA1 15 . N7 parsed_2kf8 1
27 1 1 . . . . . . . . DNA1 19 . H1 parsed_2kf8 1
27 1 2 . . . . . . . . DNA1 15 . O6 parsed_2kf8 1
28 1 1 . . . . . . . . DNA1 19 . N1 parsed_2kf8 1
28 1 2 . . . . . . . . DNA1 15 . O6 parsed_2kf8 1
29 1 1 . . . . . . . . DNA1 15 . H21 parsed_2kf8 1
29 1 2 . . . . . . . . DNA1 2 . N7 parsed_2kf8 1
30 1 1 . . . . . . . . DNA1 15 . N2 parsed_2kf8 1
30 1 2 . . . . . . . . DNA1 2 . N7 parsed_2kf8 1
31 1 1 . . . . . . . . DNA1 15 . H1 parsed_2kf8 1
31 1 2 . . . . . . . . DNA1 2 . O6 parsed_2kf8 1
32 1 1 . . . . . . . . DNA1 15 . N1 parsed_2kf8 1
32 1 2 . . . . . . . . DNA1 2 . O6 parsed_2kf8 1
33 1 1 . . . . . . . . DNA1 21 . H21 parsed_2kf8 1
33 1 2 . . . . . . . . DNA1 9 . N7 parsed_2kf8 1
34 1 1 . . . . . . . . DNA1 21 . N2 parsed_2kf8 1
34 1 2 . . . . . . . . DNA1 9 . N7 parsed_2kf8 1
35 1 1 . . . . . . . . DNA1 21 . H1 parsed_2kf8 1
35 1 2 . . . . . . . . DNA1 9 . O6 parsed_2kf8 1
36 1 1 . . . . . . . . DNA1 21 . N1 parsed_2kf8 1
36 1 2 . . . . . . . . DNA1 9 . O6 parsed_2kf8 1
37 1 1 . . . . . . . . DNA1 9 . H1 parsed_2kf8 1
37 1 2 . . . . . . . . DNA1 13 . O6 parsed_2kf8 1
38 1 1 . . . . . . . . DNA1 9 . N1 parsed_2kf8 1
38 1 2 . . . . . . . . DNA1 13 . O6 parsed_2kf8 1
39 1 1 . . . . . . . . DNA1 3 . H1 parsed_2kf8 1
39 1 2 . . . . . . . . DNA1 18 . N1 parsed_2kf8 1
40 1 1 . . . . . . . . DNA1 3 . N1 parsed_2kf8 1
40 1 2 . . . . . . . . DNA1 18 . N1 parsed_2kf8 1
41 1 1 . . . . . . . . DNA1 18 . H61 parsed_2kf8 1
41 1 2 . . . . . . . . DNA1 3 . O6 parsed_2kf8 1
42 1 1 . . . . . . . . DNA1 18 . N6 parsed_2kf8 1
42 1 2 . . . . . . . . DNA1 3 . O6 parsed_2kf8 1
43 1 1 . . . . . . . . DNA1 18 . H2 parsed_2kf8 1
43 1 2 . . . . . . . . DNA1 5 . H1' parsed_2kf8 1
44 1 1 . . . . . . . . DNA1 18 . H8 parsed_2kf8 1
44 1 2 . . . . . . . . DNA1 15 . H1' parsed_2kf8 1
45 1 1 . . . . . . . . DNA1 15 . H8 parsed_2kf8 1
45 1 2 . . . . . . . . DNA1 18 . H1' parsed_2kf8 1
46 1 1 . . . . . . . . DNA1 11 . H6 parsed_2kf8 1
46 1 2 . . . . . . . . DNA1 9 . H1' parsed_2kf8 1
47 1 1 . . . . . . . . DNA1 5 . H6 parsed_2kf8 1
47 1 2 . . . . . . . . DNA1 3 . H1' parsed_2kf8 1
48 1 1 . . . . . . . . DNA1 7 . H8 parsed_2kf8 1
48 1 2 . . . . . . . . DNA1 7 . H1' parsed_2kf8 1
49 1 1 . . . . . . . . DNA1 7 . H8 parsed_2kf8 1
49 1 2 . . . . . . . . DNA1 8 . H1' parsed_2kf8 1
50 1 1 . . . . . . . . DNA1 9 . H1' parsed_2kf8 1
50 1 2 . . . . . . . . DNA1 11 . C7 parsed_2kf8 1
51 1 1 . . . . . . . . DNA1 3 . H1' parsed_2kf8 1
51 1 2 . . . . . . . . DNA1 5 . C7 parsed_2kf8 1
52 1 1 . . . . . . . . DNA1 3 . H1' parsed_2kf8 1
52 1 2 . . . . . . . . DNA1 5 . H5'* parsed_2kf8 1
53 1 1 . . . . . . . . DNA1 3 . H1' parsed_2kf8 1
53 1 2 . . . . . . . . DNA1 5 . H5'* parsed_2kf8 1
54 1 1 . . . . . . . . DNA1 18 . H2 parsed_2kf8 1
54 1 2 . . . . . . . . DNA1 5 . H2' parsed_2kf8 1
55 1 1 . . . . . . . . DNA1 18 . H2 parsed_2kf8 1
55 1 2 . . . . . . . . DNA1 5 . H2'' parsed_2kf8 1
56 1 1 . . . . . . . . DNA1 18 . H8 parsed_2kf8 1
56 1 2 . . . . . . . . DNA1 16 . H2' parsed_2kf8 1
57 1 1 . . . . . . . . DNA1 18 . H8 parsed_2kf8 1
57 1 2 . . . . . . . . DNA1 16 . H2'' parsed_2kf8 1
58 1 1 . . . . . . . . DNA1 18 . H8 parsed_2kf8 1
58 1 2 . . . . . . . . DNA1 15 . H2' parsed_2kf8 1
59 1 1 . . . . . . . . DNA1 18 . H8 parsed_2kf8 1
59 1 2 . . . . . . . . DNA1 15 . H2'' parsed_2kf8 1
60 1 1 . . . . . . . . DNA1 3 . H8 parsed_2kf8 1
60 1 2 . . . . . . . . DNA1 5 . C7 parsed_2kf8 1
61 1 1 . . . . . . . . DNA1 6 . H2 parsed_2kf8 1
61 1 2 . . . . . . . . DNA1 4 . H2'' parsed_2kf8 1
62 1 1 . . . . . . . . DNA1 6 . H2 parsed_2kf8 1
62 1 2 . . . . . . . . DNA1 4 . H2' parsed_2kf8 1
63 1 1 . . . . . . . . DNA1 6 . H2 parsed_2kf8 1
63 1 2 . . . . . . . . DNA1 4 . C7 parsed_2kf8 1
64 1 1 . . . . . . . . DNA1 9 . H8 parsed_2kf8 1
64 1 2 . . . . . . . . DNA1 11 . C7 parsed_2kf8 1
65 1 1 . . . . . . . . DNA1 12 . H2 parsed_2kf8 1
65 1 2 . . . . . . . . DNA1 22 . C7 parsed_2kf8 1
66 1 1 . . . . . . . . DNA1 15 . H8 parsed_2kf8 1
66 1 2 . . . . . . . . DNA1 18 . H2' parsed_2kf8 1
67 1 1 . . . . . . . . DNA1 15 . H8 parsed_2kf8 1
67 1 2 . . . . . . . . DNA1 18 . H2'' parsed_2kf8 1
68 1 1 . . . . . . . . DNA1 11 . H6 parsed_2kf8 1
68 1 2 . . . . . . . . DNA1 9 . H2' parsed_2kf8 1
69 1 1 . . . . . . . . DNA1 11 . H6 parsed_2kf8 1
69 1 2 . . . . . . . . DNA1 9 . H2'' parsed_2kf8 1
70 1 1 . . . . . . . . DNA1 5 . H6 parsed_2kf8 1
70 1 2 . . . . . . . . DNA1 3 . H2'' parsed_2kf8 1
71 1 1 . . . . . . . . DNA1 18 . H2 parsed_2kf8 1
71 1 2 . . . . . . . . DNA1 5 . H3' parsed_2kf8 1
72 1 1 . . . . . . . . DNA1 18 . H8 parsed_2kf8 1
72 1 2 . . . . . . . . DNA1 16 . H3' parsed_2kf8 1
73 1 1 . . . . . . . . DNA1 18 . H8 parsed_2kf8 1
73 1 2 . . . . . . . . DNA1 15 . H3' parsed_2kf8 1
74 1 1 . . . . . . . . DNA1 6 . H2 parsed_2kf8 1
74 1 2 . . . . . . . . DNA1 4 . H3' parsed_2kf8 1
75 1 1 . . . . . . . . DNA1 15 . H8 parsed_2kf8 1
75 1 2 . . . . . . . . DNA1 18 . H3' parsed_2kf8 1
76 1 1 . . . . . . . . DNA1 7 . H8 parsed_2kf8 1
76 1 2 . . . . . . . . DNA1 7 . H3' parsed_2kf8 1
77 1 1 . . . . . . . . DNA1 7 . H8 parsed_2kf8 1
77 1 2 . . . . . . . . DNA1 8 . H3' parsed_2kf8 1
78 1 1 . . . . . . . . DNA1 18 . H2 parsed_2kf8 1
78 1 2 . . . . . . . . DNA1 5 . H6 parsed_2kf8 1
79 1 1 . . . . . . . . DNA1 18 . H8 parsed_2kf8 1
79 1 2 . . . . . . . . DNA1 15 . H8 parsed_2kf8 1
80 1 1 . . . . . . . . DNA1 18 . H2 parsed_2kf8 1
80 1 2 . . . . . . . . DNA1 6 . H8 parsed_2kf8 1
81 1 1 . . . . . . . . DNA1 6 . H2 parsed_2kf8 1
81 1 2 . . . . . . . . DNA1 4 . H6 parsed_2kf8 1
82 1 1 . . . . . . . . DNA1 8 . H8 parsed_2kf8 1
82 1 2 . . . . . . . . DNA1 7 . H8 parsed_2kf8 1
83 1 1 . . . . . . . . DNA1 6 . H2 parsed_2kf8 1
83 1 2 . . . . . . . . DNA1 7 . H8 parsed_2kf8 1
84 1 1 . . . . . . . . DNA1 3 . H2' parsed_2kf8 1
84 1 2 . . . . . . . . DNA1 5 . C7 parsed_2kf8 1
85 1 1 . . . . . . . . DNA1 3 . H2'' parsed_2kf8 1
85 1 2 . . . . . . . . DNA1 5 . C7 parsed_2kf8 1
86 1 1 . . . . . . . . DNA1 20 . H2' parsed_2kf8 1
86 1 2 . . . . . . . . DNA1 22 . C7 parsed_2kf8 1
87 1 1 . . . . . . . . DNA1 20 . H2'' parsed_2kf8 1
87 1 2 . . . . . . . . DNA1 22 . C7 parsed_2kf8 1
88 1 1 . . . . . . . . DNA1 9 . H2' parsed_2kf8 1
88 1 2 . . . . . . . . DNA1 11 . C7 parsed_2kf8 1
89 1 1 . . . . . . . . DNA1 9 . H2'' parsed_2kf8 1
89 1 2 . . . . . . . . DNA1 11 . C7 parsed_2kf8 1
90 1 1 . . . . . . . . DNA1 8 . H2'* parsed_2kf8 1
90 1 2 . . . . . . . . DNA1 11 . C7 parsed_2kf8 1
91 1 1 . . . . . . . . DNA1 16 . H2'' parsed_2kf8 1
91 1 2 . . . . . . . . DNA1 17 . C7 parsed_2kf8 1
92 1 1 . . . . . . . . DNA1 16 . H2'' parsed_2kf8 1
92 1 2 . . . . . . . . DNA1 17 . C7 parsed_2kf8 1
93 1 1 . . . . . . . . DNA1 3 . H3' parsed_2kf8 1
93 1 2 . . . . . . . . DNA1 5 . C7 parsed_2kf8 1
94 1 1 . . . . . . . . DNA1 9 . H3' parsed_2kf8 1
94 1 2 . . . . . . . . DNA1 11 . C7 parsed_2kf8 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 . . . . . 1.99 1.89 2.09 parsed_2kf8 1
2 1 . . . . . 2.90 2.80 3.00 parsed_2kf8 1
3 1 . . . . . 1.95 1.85 2.05 parsed_2kf8 1
4 1 . . . . . 2.95 2.85 3.05 parsed_2kf8 1
5 1 . . . . . 1.99 1.89 2.09 parsed_2kf8 1
6 1 . . . . . 2.90 2.80 3.00 parsed_2kf8 1
7 1 . . . . . 1.95 1.85 2.05 parsed_2kf8 1
8 1 . . . . . 2.95 2.85 3.05 parsed_2kf8 1
9 1 . . . . . 1.99 1.89 2.09 parsed_2kf8 1
10 1 . . . . . 2.90 2.80 3.00 parsed_2kf8 1
11 1 . . . . . 1.95 1.85 2.05 parsed_2kf8 1
12 1 . . . . . 2.95 2.85 3.05 parsed_2kf8 1
13 1 . . . . . 1.99 1.89 2.09 parsed_2kf8 1
14 1 . . . . . 2.90 2.80 3.00 parsed_2kf8 1
15 1 . . . . . 1.95 1.85 2.05 parsed_2kf8 1
16 1 . . . . . 2.95 2.85 3.05 parsed_2kf8 1
17 1 . . . . . 1.99 1.89 2.09 parsed_2kf8 1
18 1 . . . . . 2.90 2.80 3.00 parsed_2kf8 1
19 1 . . . . . 1.95 1.85 2.05 parsed_2kf8 1
20 1 . . . . . 2.95 2.85 3.05 parsed_2kf8 1
21 1 . . . . . 1.99 1.89 2.09 parsed_2kf8 1
22 1 . . . . . 2.90 2.80 3.00 parsed_2kf8 1
23 1 . . . . . 1.95 1.85 2.05 parsed_2kf8 1
24 1 . . . . . 2.95 2.85 3.05 parsed_2kf8 1
25 1 . . . . . 1.99 1.89 2.09 parsed_2kf8 1
26 1 . . . . . 2.90 2.80 3.00 parsed_2kf8 1
27 1 . . . . . 1.95 1.85 2.05 parsed_2kf8 1
28 1 . . . . . 2.95 2.85 3.05 parsed_2kf8 1
29 1 . . . . . 1.99 1.89 2.09 parsed_2kf8 1
30 1 . . . . . 2.90 2.80 3.00 parsed_2kf8 1
31 1 . . . . . 1.95 1.85 2.05 parsed_2kf8 1
32 1 . . . . . 2.95 2.85 3.05 parsed_2kf8 1
33 1 . . . . . 1.99 1.79 2.19 parsed_2kf8 1
34 1 . . . . . 2.90 2.70 3.10 parsed_2kf8 1
35 1 . . . . . 1.95 1.75 2.15 parsed_2kf8 1
36 1 . . . . . 2.95 2.75 3.15 parsed_2kf8 1
37 1 . . . . . 1.95 1.75 2.15 parsed_2kf8 1
38 1 . . . . . 2.95 2.75 3.15 parsed_2kf8 1
39 1 . . . . . 1.99 1.79 2.19 parsed_2kf8 1
40 1 . . . . . 2.90 2.70 3.10 parsed_2kf8 1
41 1 . . . . . 1.95 1.75 2.15 parsed_2kf8 1
42 1 . . . . . 2.95 2.75 3.15 parsed_2kf8 1
43 1 . . . . . 3.000 1.800 4.200 parsed_2kf8 1
44 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
45 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
46 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
47 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
48 1 . . . . . 3.000 1.800 4.200 parsed_2kf8 1
49 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
50 1 . . . . . 4.800 3.600 7.700 parsed_2kf8 1
51 1 . . . . . 4.800 3.600 7.700 parsed_2kf8 1
52 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
53 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
54 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
55 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
56 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
57 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
58 1 . . . . . 3.000 1.800 4.200 parsed_2kf8 1
59 1 . . . . . 3.000 1.800 4.200 parsed_2kf8 1
60 1 . . . . . 4.800 3.600 7.700 parsed_2kf8 1
61 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
62 1 . . . . . 4.000 1.800 7.800 parsed_2kf8 1
63 1 . . . . . 3.000 1.800 4.700 parsed_2kf8 1
64 1 . . . . . 3.000 1.800 4.700 parsed_2kf8 1
65 1 . . . . . 4.000 1.800 8.300 parsed_2kf8 1
66 1 . . . . . 3.000 1.800 4.200 parsed_2kf8 1
67 1 . . . . . 3.000 1.800 4.200 parsed_2kf8 1
68 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
69 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
70 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
71 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
72 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
73 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
74 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
75 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
76 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
77 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
78 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
79 1 . . . . . 3.000 1.800 4.200 parsed_2kf8 1
80 1 . . . . . 4.000 1.800 7.800 parsed_2kf8 1
81 1 . . . . . 4.000 1.800 7.800 parsed_2kf8 1
82 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
83 1 . . . . . 4.800 3.600 7.200 parsed_2kf8 1
84 1 . . . . . 4.800 3.600 7.700 parsed_2kf8 1
85 1 . . . . . 4.800 3.600 7.700 parsed_2kf8 1
86 1 . . . . . 4.800 3.600 7.700 parsed_2kf8 1
87 1 . . . . . 4.800 3.600 7.700 parsed_2kf8 1
88 1 . . . . . 3.000 1.800 4.700 parsed_2kf8 1
89 1 . . . . . 3.000 1.800 4.700 parsed_2kf8 1
90 1 . . . . . 4.800 3.600 7.700 parsed_2kf8 1
91 1 . . . . . 3.000 1.800 4.700 parsed_2kf8 1
92 1 . . . . . 4.800 3.600 7.700 parsed_2kf8 1
93 1 . . . . . 4.800 3.600 7.700 parsed_2kf8 1
94 1 . . . . . 4.800 3.600 7.700 parsed_2kf8 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kf8
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . DNA1 1 . O4' DNA1 1 . C1' DNA1 1 . N9 DNA1 1 . C4 parsed_2kf8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . DNA1 2 . O4' DNA1 2 . C1' DNA1 2 . N9 DNA1 2 . C4 parsed_2kf8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . DNA1 7 . O4' DNA1 7 . C1' DNA1 7 . N9 DNA1 7 . C4 parsed_2kf8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . DNA1 8 . O4' DNA1 8 . C1' DNA1 8 . N9 DNA1 8 . C4 parsed_2kf8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . DNA1 14 . O4' DNA1 14 . C1' DNA1 14 . N9 DNA1 14 . C4 parsed_2kf8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . DNA1 15 . O4' DNA1 15 . C1' DNA1 15 . N9 DNA1 15 . C4 parsed_2kf8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . DNA1 19 . O4' DNA1 19 . C1' DNA1 19 . N9 DNA1 19 . C4 parsed_2kf8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . DNA1 20 . O4' DNA1 20 . C1' DNA1 20 . N9 DNA1 20 . C4 parsed_2kf8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . DNA1 1 . H1' DNA1 1 . C1' DNA1 1 . N9 DNA1 1 . C4 parsed_2kf8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . DNA1 2 . H1' DNA1 2 . C1' DNA1 2 . N9 DNA1 2 . C4 parsed_2kf8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . DNA1 7 . H1' DNA1 7 . C1' DNA1 7 . N9 DNA1 7 . C4 parsed_2kf8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . DNA1 8 . H1' DNA1 8 . C1' DNA1 8 . N9 DNA1 8 . C4 parsed_2kf8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . DNA1 14 . H1' DNA1 14 . C1' DNA1 14 . N9 DNA1 14 . C4 parsed_2kf8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . DNA1 15 . H1' DNA1 15 . C1' DNA1 15 . N9 DNA1 15 . C4 parsed_2kf8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . DNA1 19 . H1' DNA1 19 . C1' DNA1 19 . N9 DNA1 19 . C4 parsed_2kf8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . DNA1 20 . H1' DNA1 20 . C1' DNA1 20 . N9 DNA1 20 . C4 parsed_2kf8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . DNA1 1 . C4' DNA1 1 . C3' DNA1 1 . O3' DNA1 2 . P parsed_2kf8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . DNA1 7 . C4' DNA1 7 . C3' DNA1 7 . O3' DNA1 8 . P parsed_2kf8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . DNA1 14 . C4' DNA1 14 . C3' DNA1 14 . O3' DNA1 15 . P parsed_2kf8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . DNA1 19 . C4' DNA1 19 . C3' DNA1 19 . O3' DNA1 20 . P parsed_2kf8 1
stop_
save_
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