NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
584245 |
2mjs   |
11553 | cing | 2-parsed | STAR | entry | full | 133 |
data_2mjs_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mjs
_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_2mjs 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mjs
_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 2mjs "Master copy" parsed_2mjs
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mjs
_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 2mjs.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mjs 1
1 2mjs.mr . . XPLOR/CNS 2 distance NOE simple 107 parsed_2mjs 1
1 2mjs.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 14 parsed_2mjs 1
1 2mjs.mr . . XPLOR/CNS 4 distance "general distance" simple 12 parsed_2mjs 1
1 2mjs.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mjs 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_2mjs
_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 ANTIMICROBIAL PROTEIN 16-JAN-14 2MJS
*TITLE ANOPLIN R5K T8W IN DPC MICELLES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ANOPLIN;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: AS-183;
*COMPND 5 ENGINEERED: YES;
*COMPND 6 MUTATION: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: ANOPLIUS SAMARIENSIS;
*SOURCE 4 ORGANISM_COMMON: SOLITARY WASP;
*SOURCE 5 ORGANISM_TAXID: 200614
*KEYWDS AMPHIPATHIC HELIX, ANTIMICROBIAL PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR L.UGGERHOEJ, T.J.POULSEN, R.WIMMER
*REVDAT 1 03-DEC-14 2MJS 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mjs
_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_2mjs 1
2 1 . . . parsed_2mjs 1
3 1 . . . parsed_2mjs 1
4 1 . . . parsed_2mjs 1
5 1 . . . parsed_2mjs 1
6 1 . . . parsed_2mjs 1
7 1 . . . parsed_2mjs 1
8 1 . . . parsed_2mjs 1
9 1 . . . parsed_2mjs 1
10 1 . . . parsed_2mjs 1
11 1 . . . parsed_2mjs 1
12 1 . . . parsed_2mjs 1
13 1 . . . parsed_2mjs 1
14 1 . . . parsed_2mjs 1
15 1 . . . parsed_2mjs 1
16 1 . . . parsed_2mjs 1
17 1 . . . parsed_2mjs 1
18 1 . . . parsed_2mjs 1
19 1 . . . parsed_2mjs 1
20 1 . . . parsed_2mjs 1
21 1 . . . parsed_2mjs 1
22 1 . . . parsed_2mjs 1
23 1 . . . parsed_2mjs 1
24 1 . . . parsed_2mjs 1
25 1 . . . parsed_2mjs 1
26 1 . . . parsed_2mjs 1
27 1 . . . parsed_2mjs 1
28 1 . . . parsed_2mjs 1
29 1 . . . parsed_2mjs 1
30 1 . . . parsed_2mjs 1
31 1 . . . parsed_2mjs 1
32 1 . . . parsed_2mjs 1
33 1 . . . parsed_2mjs 1
34 1 . . . parsed_2mjs 1
35 1 . . . parsed_2mjs 1
36 1 . . . parsed_2mjs 1
37 1 . . . parsed_2mjs 1
38 1 . . . parsed_2mjs 1
39 1 . . . parsed_2mjs 1
40 1 . . . parsed_2mjs 1
41 1 . . . parsed_2mjs 1
42 1 . . . parsed_2mjs 1
43 1 . . . parsed_2mjs 1
44 1 . . . parsed_2mjs 1
45 1 . . . parsed_2mjs 1
46 1 . . . parsed_2mjs 1
47 1 . . . parsed_2mjs 1
48 1 . . . parsed_2mjs 1
49 1 . . . parsed_2mjs 1
50 1 . . . parsed_2mjs 1
51 1 . . . parsed_2mjs 1
52 1 . . . parsed_2mjs 1
53 1 . . . parsed_2mjs 1
54 1 . . . parsed_2mjs 1
55 1 . . . parsed_2mjs 1
56 1 . . . parsed_2mjs 1
57 1 . . . parsed_2mjs 1
58 1 . . . parsed_2mjs 1
59 1 . . . parsed_2mjs 1
60 1 . . . parsed_2mjs 1
61 1 . . . parsed_2mjs 1
62 1 . . . parsed_2mjs 1
63 1 . . . parsed_2mjs 1
64 1 . . . parsed_2mjs 1
65 1 . . . parsed_2mjs 1
66 1 . . . parsed_2mjs 1
67 1 . . . parsed_2mjs 1
68 1 . . . parsed_2mjs 1
69 1 . . . parsed_2mjs 1
70 1 . . . parsed_2mjs 1
71 1 . . . parsed_2mjs 1
72 1 . . . parsed_2mjs 1
73 1 . . . parsed_2mjs 1
74 1 . . . parsed_2mjs 1
75 1 . . . parsed_2mjs 1
76 1 . . . parsed_2mjs 1
77 1 . . . parsed_2mjs 1
78 1 . . . parsed_2mjs 1
79 1 . . . parsed_2mjs 1
80 1 . . . parsed_2mjs 1
81 1 . . . parsed_2mjs 1
82 1 . . . parsed_2mjs 1
83 1 . . . parsed_2mjs 1
84 1 . . . parsed_2mjs 1
85 1 . . . parsed_2mjs 1
86 1 . . . parsed_2mjs 1
87 1 . . . parsed_2mjs 1
88 1 . . . parsed_2mjs 1
89 1 . . . parsed_2mjs 1
90 1 . . . parsed_2mjs 1
91 1 . . . parsed_2mjs 1
92 1 . . . parsed_2mjs 1
93 1 . . . parsed_2mjs 1
94 1 . . . parsed_2mjs 1
95 1 . . . parsed_2mjs 1
96 1 . . . parsed_2mjs 1
97 1 . . . parsed_2mjs 1
98 1 . . . parsed_2mjs 1
99 1 . . . parsed_2mjs 1
100 1 . . . parsed_2mjs 1
101 1 . . . parsed_2mjs 1
102 1 . . . parsed_2mjs 1
103 1 . . . parsed_2mjs 1
104 1 . . . parsed_2mjs 1
105 1 . . . parsed_2mjs 1
106 1 . . . parsed_2mjs 1
107 1 . . . parsed_2mjs 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 . . . . . . . . . 4 . HA parsed_2mjs 1
1 1 2 . . . . . . . . . 8 . HN parsed_2mjs 1
2 1 1 . . . . . . . . . 3 . HA parsed_2mjs 1
2 1 2 . . . . . . . . . 6 . HB parsed_2mjs 1
3 1 1 . . . . . . . . . 6 . HA parsed_2mjs 1
3 1 2 . . . . . . . . . 9 . HB# parsed_2mjs 1
4 1 1 . . . . . . . . . 6 . HA parsed_2mjs 1
4 1 2 . . . . . . . . . 9 . HB# parsed_2mjs 1
5 1 1 . . . . . . . . . 7 . HB# parsed_2mjs 1
5 1 2 . . . . . . . . . 8 . HN parsed_2mjs 1
6 1 1 . . . . . . . . . 7 . HB# parsed_2mjs 1
6 1 2 . . . . . . . . . 8 . HN parsed_2mjs 1
7 1 1 . . . . . . . . . 6 . HB parsed_2mjs 1
7 1 2 . . . . . . . . . 7 . HN parsed_2mjs 1
8 1 1 . . . . . . . . . 9 . HB# parsed_2mjs 1
8 1 2 . . . . . . . . . 10 . HN parsed_2mjs 1
9 1 1 . . . . . . . . . 9 . HB# parsed_2mjs 1
9 1 2 . . . . . . . . . 10 . HN parsed_2mjs 1
10 1 1 . . . . . . . . . 6 . HA parsed_2mjs 1
10 1 2 . . . . . . . . . 8 . HN parsed_2mjs 1
11 1 1 . . . . . . . . . 2 . HA parsed_2mjs 1
11 1 2 . . . . . . . . . 5 . HN parsed_2mjs 1
12 1 1 . . . . . . . . . 5 . HA parsed_2mjs 1
12 1 2 . . . . . . . . . 7 . HN parsed_2mjs 1
13 1 1 . . . . . . . . . 3 . HA parsed_2mjs 1
13 1 2 . . . . . . . . . 7 . HN parsed_2mjs 1
14 1 1 . . . . . . . . . 3 . HN parsed_2mjs 1
14 1 2 . . . . . . . . . 3 . HB# parsed_2mjs 1
15 1 1 . . . . . . . . . 3 . HN parsed_2mjs 1
15 1 2 . . . . . . . . . 3 . HB# parsed_2mjs 1
16 1 1 . . . . . . . . . 9 . HN parsed_2mjs 1
16 1 2 . . . . . . . . . 9 . HB# parsed_2mjs 1
17 1 1 . . . . . . . . . 9 . HN parsed_2mjs 1
17 1 2 . . . . . . . . . 9 . HB# parsed_2mjs 1
18 1 1 . . . . . . . . . 9 . HA parsed_2mjs 1
18 1 2 . . . . . . . . . 9 . HB# parsed_2mjs 1
19 1 1 . . . . . . . . . 4 . HA parsed_2mjs 1
19 1 2 . . . . . . . . . 7 . HN parsed_2mjs 1
20 1 1 . . . . . . . . . 7 . HN parsed_2mjs 1
20 1 2 . . . . . . . . . 8 . HN parsed_2mjs 1
21 1 1 . . . . . . . . . 7 . HN parsed_2mjs 1
21 1 2 . . . . . . . . . 7 . HA parsed_2mjs 1
22 1 1 . . . . . . . . . 6 . HA parsed_2mjs 1
22 1 2 . . . . . . . . . 7 . HN parsed_2mjs 1
23 1 1 . . . . . . . . . 7 . HN parsed_2mjs 1
23 1 2 . . . . . . . . . 7 . HB# parsed_2mjs 1
24 1 1 . . . . . . . . . 7 . HN parsed_2mjs 1
24 1 2 . . . . . . . . . 7 . HB# parsed_2mjs 1
25 1 1 . . . . . . . . . 7 . HA parsed_2mjs 1
25 1 2 . . . . . . . . . 10 . HN parsed_2mjs 1
26 1 1 . . . . . . . . . 9 . HA parsed_2mjs 1
26 1 2 . . . . . . . . . 10 . HN parsed_2mjs 1
27 1 1 . . . . . . . . . 4 . HA parsed_2mjs 1
27 1 2 . . . . . . . . . 5 . HN parsed_2mjs 1
28 1 1 . . . . . . . . . 5 . HN parsed_2mjs 1
28 1 2 . . . . . . . . . 5 . HA parsed_2mjs 1
29 1 1 . . . . . . . . . 5 . HN parsed_2mjs 1
29 1 2 . . . . . . . . . 6 . HN parsed_2mjs 1
30 1 1 . . . . . . . . . 4 . HN parsed_2mjs 1
30 1 2 . . . . . . . . . 5 . HN parsed_2mjs 1
31 1 1 . . . . . . . . . 10 . HN parsed_2mjs 1
31 1 2 . . . . . . . . . 10 . HA parsed_2mjs 1
32 1 1 . . . . . . . . . 8 . HB# parsed_2mjs 1
32 1 2 . . . . . . . . . 9 . HN parsed_2mjs 1
33 1 1 . . . . . . . . . 8 . HB# parsed_2mjs 1
33 1 2 . . . . . . . . . 9 . HN parsed_2mjs 1
34 1 1 . . . . . . . . . 6 . HA parsed_2mjs 1
34 1 2 . . . . . . . . . 9 . HN parsed_2mjs 1
35 1 1 . . . . . . . . . 8 . HA parsed_2mjs 1
35 1 2 . . . . . . . . . 9 . HN parsed_2mjs 1
36 1 1 . . . . . . . . . 7 . HA parsed_2mjs 1
36 1 2 . . . . . . . . . 8 . HN parsed_2mjs 1
37 1 1 . . . . . . . . . 3 . HA parsed_2mjs 1
37 1 2 . . . . . . . . . 4 . HN parsed_2mjs 1
38 1 1 . . . . . . . . . 5 . HA parsed_2mjs 1
38 1 2 . . . . . . . . . 6 . HN parsed_2mjs 1
39 1 1 . . . . . . . . . 3 . HA parsed_2mjs 1
39 1 2 . . . . . . . . . 6 . HN parsed_2mjs 1
40 1 1 . . . . . . . . . 9 . HN parsed_2mjs 1
40 1 2 . . . . . . . . . 10 . HN parsed_2mjs 1
41 1 1 . . . . . . . . . 8 . HN parsed_2mjs 1
41 1 2 . . . . . . . . . 9 . HN parsed_2mjs 1
42 1 1 . . . . . . . . . 3 . HN parsed_2mjs 1
42 1 2 . . . . . . . . . 4 . HN parsed_2mjs 1
43 1 1 . . . . . . . . . 4 . HN parsed_2mjs 1
43 1 2 . . . . . . . . . 4 . HA parsed_2mjs 1
44 1 1 . . . . . . . . . 4 . HN parsed_2mjs 1
44 1 2 . . . . . . . . . 4 . HB# parsed_2mjs 1
45 1 1 . . . . . . . . . 8 . HN parsed_2mjs 1
45 1 2 . . . . . . . . . 8 . HB# parsed_2mjs 1
46 1 1 . . . . . . . . . 8 . HA parsed_2mjs 1
46 1 2 . . . . . . . . . 8 . HB# parsed_2mjs 1
47 1 1 . . . . . . . . . 8 . HN parsed_2mjs 1
47 1 2 . . . . . . . . . 8 . HA parsed_2mjs 1
48 1 1 . . . . . . . . . 6 . HN parsed_2mjs 1
48 1 2 . . . . . . . . . 6 . HA parsed_2mjs 1
49 1 1 . . . . . . . . . 8 . HN parsed_2mjs 1
49 1 2 . . . . . . . . . 8 . HB# parsed_2mjs 1
50 1 1 . . . . . . . . . 8 . HA parsed_2mjs 1
50 1 2 . . . . . . . . . 8 . HB# parsed_2mjs 1
51 1 1 . . . . . . . . . 6 . HN parsed_2mjs 1
51 1 2 . . . . . . . . . 6 . HB parsed_2mjs 1
52 1 1 . . . . . . . . . 9 . HN parsed_2mjs 1
52 1 2 . . . . . . . . . 9 . HA parsed_2mjs 1
53 1 1 . . . . . . . . . 7 . HN parsed_2mjs 1
53 1 2 . . . . . . . . . 7 . HD# parsed_2mjs 1
54 1 1 . . . . . . . . . 7 . HA parsed_2mjs 1
54 1 2 . . . . . . . . . 7 . HD# parsed_2mjs 1
55 1 1 . . . . . . . . . 5 . HN parsed_2mjs 1
55 1 2 . . . . . . . . . 5 . HG# parsed_2mjs 1
56 1 1 . . . . . . . . . 10 . HN parsed_2mjs 1
56 1 2 . . . . . . . . . 10 . HG parsed_2mjs 1
57 1 1 . . . . . . . . . 9 . HN parsed_2mjs 1
57 1 2 . . . . . . . . . 9 . HG parsed_2mjs 1
58 1 1 . . . . . . . . . 9 . HA parsed_2mjs 1
58 1 2 . . . . . . . . . 9 . HG parsed_2mjs 1
59 1 1 . . . . . . . . . 8 . HN parsed_2mjs 1
59 1 2 . . . . . . . . . 8 . HE1 parsed_2mjs 1
60 1 1 . . . . . . . . . 8 . HN parsed_2mjs 1
60 1 2 . . . . . . . . . 8 . HD1 parsed_2mjs 1
61 1 1 . . . . . . . . . 8 . HA parsed_2mjs 1
61 1 2 . . . . . . . . . 8 . HD1 parsed_2mjs 1
62 1 1 . . . . . . . . . 8 . HN parsed_2mjs 1
62 1 2 . . . . . . . . . 8 . HE3 parsed_2mjs 1
63 1 1 . . . . . . . . . 4 . HA parsed_2mjs 1
63 1 2 . . . . . . . . . 4 . HG# parsed_2mjs 1
64 1 1 . . . . . . . . . 4 . HN parsed_2mjs 1
64 1 2 . . . . . . . . . 4 . HG# parsed_2mjs 1
65 1 1 . . . . . . . . . 4 . HA parsed_2mjs 1
65 1 2 . . . . . . . . . 4 . HD# parsed_2mjs 1
66 1 1 . . . . . . . . . 4 . HN parsed_2mjs 1
66 1 2 . . . . . . . . . 4 . HD# parsed_2mjs 1
67 1 1 . . . . . . . . . 6 . HN parsed_2mjs 1
67 1 2 . . . . . . . . . 6 . HG1# parsed_2mjs 1
68 1 1 . . . . . . . . . 4 . HA parsed_2mjs 1
68 1 2 . . . . . . . . . 4 . HG# parsed_2mjs 1
69 1 1 . . . . . . . . . 4 . HN parsed_2mjs 1
69 1 2 . . . . . . . . . 4 . HG# parsed_2mjs 1
70 1 1 . . . . . . . . . 6 . HD* parsed_2mjs 1
70 1 2 . . . . . . . . . 7 . HA parsed_2mjs 1
71 1 1 . . . . . . . . . 6 . HG2* parsed_2mjs 1
71 1 2 . . . . . . . . . 7 . HA parsed_2mjs 1
72 1 1 . . . . . . . . . 2 . HA parsed_2mjs 1
72 1 2 . . . . . . . . . 2 . HD* parsed_2mjs 1
73 1 1 . . . . . . . . . 2 . HA parsed_2mjs 1
73 1 2 . . . . . . . . . 2 . HD* parsed_2mjs 1
74 1 1 . . . . . . . . . 6 . HA parsed_2mjs 1
74 1 2 . . . . . . . . . 6 . HD* parsed_2mjs 1
75 1 1 . . . . . . . . . 6 . HN parsed_2mjs 1
75 1 2 . . . . . . . . . 6 . HD* parsed_2mjs 1
76 1 1 . . . . . . . . . 3 . HN parsed_2mjs 1
76 1 2 . . . . . . . . . 3 . HD* parsed_2mjs 1
77 1 1 . . . . . . . . . 3 . HA parsed_2mjs 1
77 1 2 . . . . . . . . . 3 . HD* parsed_2mjs 1
78 1 1 . . . . . . . . . 3 . HN parsed_2mjs 1
78 1 2 . . . . . . . . . 3 . HD* parsed_2mjs 1
79 1 1 . . . . . . . . . 3 . HA parsed_2mjs 1
79 1 2 . . . . . . . . . 3 . HD* parsed_2mjs 1
80 1 1 . . . . . . . . . 10 . HN parsed_2mjs 1
80 1 2 . . . . . . . . . 10 . HD* parsed_2mjs 1
81 1 1 . . . . . . . . . 10 . HN parsed_2mjs 1
81 1 2 . . . . . . . . . 10 . HD* parsed_2mjs 1
82 1 1 . . . . . . . . . 6 . HA parsed_2mjs 1
82 1 2 . . . . . . . . . 6 . HG2* parsed_2mjs 1
83 1 1 . . . . . . . . . 6 . HN parsed_2mjs 1
83 1 2 . . . . . . . . . 6 . HG2* parsed_2mjs 1
84 1 1 . . . . . . . . . 2 . HA parsed_2mjs 1
84 1 2 . . . . . . . . . 5 . HB# parsed_2mjs 1
85 1 1 . . . . . . . . . 3 . HN parsed_2mjs 1
85 1 2 . . . . . . . . . 3 . HB# parsed_2mjs 1
86 1 1 . . . . . . . . . 3 . HN parsed_2mjs 1
86 1 2 . . . . . . . . . 3 . HD* parsed_2mjs 1
87 1 1 . . . . . . . . . 3 . HB# parsed_2mjs 1
87 1 2 . . . . . . . . . 4 . HN parsed_2mjs 1
88 1 1 . . . . . . . . . 4 . HN parsed_2mjs 1
88 1 2 . . . . . . . . . 4 . HG# parsed_2mjs 1
89 1 1 . . . . . . . . . 4 . HA parsed_2mjs 1
89 1 2 . . . . . . . . . 4 . HG# parsed_2mjs 1
90 1 1 . . . . . . . . . 4 . HA parsed_2mjs 1
90 1 2 . . . . . . . . . 7 . HB# parsed_2mjs 1
91 1 1 . . . . . . . . . 5 . HN parsed_2mjs 1
91 1 2 . . . . . . . . . 5 . HB# parsed_2mjs 1
92 1 1 . . . . . . . . . 5 . HN parsed_2mjs 1
92 1 2 . . . . . . . . . 5 . HD# parsed_2mjs 1
93 1 1 . . . . . . . . . 5 . HB# parsed_2mjs 1
93 1 2 . . . . . . . . . 6 . HN parsed_2mjs 1
94 1 1 . . . . . . . . . 7 . HN parsed_2mjs 1
94 1 2 . . . . . . . . . 7 . HB# parsed_2mjs 1
95 1 1 . . . . . . . . . 7 . HN parsed_2mjs 1
95 1 2 . . . . . . . . . 7 . HG# parsed_2mjs 1
96 1 1 . . . . . . . . . 7 . HA parsed_2mjs 1
96 1 2 . . . . . . . . . 7 . HG# parsed_2mjs 1
97 1 1 . . . . . . . . . 7 . HB# parsed_2mjs 1
97 1 2 . . . . . . . . . 8 . HN parsed_2mjs 1
98 1 1 . . . . . . . . . 8 . HA parsed_2mjs 1
98 1 2 . . . . . . . . . 11 . HN1 parsed_2mjs 1
99 1 1 . . . . . . . . . 9 . HN parsed_2mjs 1
99 1 2 . . . . . . . . . 9 . HD* parsed_2mjs 1
100 1 1 . . . . . . . . . 9 . HA parsed_2mjs 1
100 1 2 . . . . . . . . . 9 . HD* parsed_2mjs 1
101 1 1 . . . . . . . . . 9 . HD* parsed_2mjs 1
101 1 2 . . . . . . . . . 10 . HN parsed_2mjs 1
102 1 1 . . . . . . . . . 10 . HN parsed_2mjs 1
102 1 2 . . . . . . . . . 10 . HB# parsed_2mjs 1
103 1 1 . . . . . . . . . 10 . HN parsed_2mjs 1
103 1 2 . . . . . . . . . 10 . HD* parsed_2mjs 1
104 1 1 . . . . . . . . . 10 . HN parsed_2mjs 1
104 1 2 . . . . . . . . . 11 . HN1 parsed_2mjs 1
105 1 1 . . . . . . . . . 10 . HA parsed_2mjs 1
105 1 2 . . . . . . . . . 10 . HB# parsed_2mjs 1
106 1 1 . . . . . . . . . 10 . HA parsed_2mjs 1
106 1 2 . . . . . . . . . 10 . HD* parsed_2mjs 1
107 1 1 . . . . . . . . . 10 . HA parsed_2mjs 1
107 1 2 . . . . . . . . . 11 . HN1 parsed_2mjs 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 4.45 1.00 4.45 parsed_2mjs 1
2 1 . . . . . 2.93 1.00 2.93 parsed_2mjs 1
3 1 . . . . . 3.70 1.00 3.70 parsed_2mjs 1
4 1 . . . . . 3.33 1.00 3.33 parsed_2mjs 1
5 1 . . . . . 3.98 1.00 3.98 parsed_2mjs 1
6 1 . . . . . 3.98 1.00 3.98 parsed_2mjs 1
7 1 . . . . . 2.93 1.00 2.93 parsed_2mjs 1
8 1 . . . . . 2.99 1.00 2.99 parsed_2mjs 1
9 1 . . . . . 3.42 1.00 3.42 parsed_2mjs 1
10 1 . . . . . 4.17 1.00 4.17 parsed_2mjs 1
11 1 . . . . . 3.30 1.00 3.30 parsed_2mjs 1
12 1 . . . . . 4.35 1.00 4.35 parsed_2mjs 1
13 1 . . . . . 3.83 1.00 3.83 parsed_2mjs 1
14 1 . . . . . 2.56 1.00 2.56 parsed_2mjs 1
15 1 . . . . . 2.56 1.00 2.56 parsed_2mjs 1
16 1 . . . . . 3.17 1.00 3.17 parsed_2mjs 1
17 1 . . . . . 2.99 1.00 2.99 parsed_2mjs 1
18 1 . . . . . 2.65 1.00 2.65 parsed_2mjs 1
19 1 . . . . . 3.39 1.00 3.39 parsed_2mjs 1
20 1 . . . . . 2.74 1.00 2.74 parsed_2mjs 1
21 1 . . . . . 2.74 1.00 2.74 parsed_2mjs 1
22 1 . . . . . 3.55 1.00 3.55 parsed_2mjs 1
23 1 . . . . . 3.73 1.00 3.73 parsed_2mjs 1
24 1 . . . . . 3.73 1.00 3.73 parsed_2mjs 1
25 1 . . . . . 3.64 1.00 3.64 parsed_2mjs 1
26 1 . . . . . 3.42 1.00 3.42 parsed_2mjs 1
27 1 . . . . . 3.45 1.00 3.45 parsed_2mjs 1
28 1 . . . . . 2.93 1.00 2.93 parsed_2mjs 1
29 1 . . . . . 2.62 1.00 2.62 parsed_2mjs 1
30 1 . . . . . 2.65 1.00 2.65 parsed_2mjs 1
31 1 . . . . . 2.80 1.00 2.80 parsed_2mjs 1
32 1 . . . . . 2.77 1.00 2.77 parsed_2mjs 1
33 1 . . . . . 3.24 1.00 3.24 parsed_2mjs 1
34 1 . . . . . 3.14 1.00 3.14 parsed_2mjs 1
35 1 . . . . . 3.55 1.00 3.55 parsed_2mjs 1
36 1 . . . . . 3.55 1.00 3.55 parsed_2mjs 1
37 1 . . . . . 3.45 1.00 3.45 parsed_2mjs 1
38 1 . . . . . 3.39 1.00 3.39 parsed_2mjs 1
39 1 . . . . . 3.21 1.00 3.21 parsed_2mjs 1
40 1 . . . . . 2.52 1.00 2.52 parsed_2mjs 1
41 1 . . . . . 3.86 1.00 3.86 parsed_2mjs 1
42 1 . . . . . 2.74 1.00 2.74 parsed_2mjs 1
43 1 . . . . . 2.77 1.00 2.77 parsed_2mjs 1
44 1 . . . . . 3.62 1.00 3.62 parsed_2mjs 1
45 1 . . . . . 3.55 1.00 3.55 parsed_2mjs 1
46 1 . . . . . 2.83 1.00 2.83 parsed_2mjs 1
47 1 . . . . . 2.74 1.00 2.74 parsed_2mjs 1
48 1 . . . . . 2.83 1.00 2.83 parsed_2mjs 1
49 1 . . . . . 2.96 1.00 2.96 parsed_2mjs 1
50 1 . . . . . 3.02 1.00 3.02 parsed_2mjs 1
51 1 . . . . . 2.56 1.00 2.56 parsed_2mjs 1
52 1 . . . . . 2.87 1.00 2.87 parsed_2mjs 1
53 1 . . . . . 6.38 1.00 6.38 parsed_2mjs 1
54 1 . . . . . 4.93 1.00 4.93 parsed_2mjs 1
55 1 . . . . . 5.67 1.00 5.67 parsed_2mjs 1
56 1 . . . . . 3.36 1.00 3.36 parsed_2mjs 1
57 1 . . . . . 4.17 1.00 4.17 parsed_2mjs 1
58 1 . . . . . 3.17 1.00 3.17 parsed_2mjs 1
59 1 . . . . . 5.50 1.00 5.50 parsed_2mjs 1
60 1 . . . . . 4.76 1.00 4.76 parsed_2mjs 1
61 1 . . . . . 3.11 1.00 3.11 parsed_2mjs 1
62 1 . . . . . 4.45 1.00 4.45 parsed_2mjs 1
63 1 . . . . . 3.89 1.00 3.89 parsed_2mjs 1
64 1 . . . . . 5.07 1.00 5.07 parsed_2mjs 1
65 1 . . . . . 5.11 1.00 5.11 parsed_2mjs 1
66 1 . . . . . 6.38 1.00 6.38 parsed_2mjs 1
67 1 . . . . . 5.26 1.00 5.26 parsed_2mjs 1
68 1 . . . . . 3.89 1.00 3.89 parsed_2mjs 1
69 1 . . . . . 5.07 1.00 5.07 parsed_2mjs 1
70 1 . . . . . 5.53 1.00 5.53 parsed_2mjs 1
71 1 . . . . . 5.22 1.00 5.22 parsed_2mjs 1
72 1 . . . . . 5.50 1.00 5.50 parsed_2mjs 1
73 1 . . . . . 5.50 1.00 5.50 parsed_2mjs 1
74 1 . . . . . 4.63 1.00 4.63 parsed_2mjs 1
75 1 . . . . . 5.37 1.00 5.37 parsed_2mjs 1
76 1 . . . . . 6.15 1.00 6.15 parsed_2mjs 1
77 1 . . . . . 5.09 1.00 5.09 parsed_2mjs 1
78 1 . . . . . 6.15 1.00 6.15 parsed_2mjs 1
79 1 . . . . . 5.09 1.00 5.09 parsed_2mjs 1
80 1 . . . . . 6.52 1.00 6.52 parsed_2mjs 1
81 1 . . . . . 6.52 1.00 6.52 parsed_2mjs 1
82 1 . . . . . 4.07 1.00 4.07 parsed_2mjs 1
83 1 . . . . . 4.91 1.00 4.91 parsed_2mjs 1
84 1 . . . . . 3.44 1.00 3.44 parsed_2mjs 1
85 1 . . . . . 2.20 1.00 2.20 parsed_2mjs 1
86 1 . . . . . 5.29 1.00 5.29 parsed_2mjs 1
87 1 . . . . . 3.65 1.00 3.65 parsed_2mjs 1
88 1 . . . . . 4.39 1.00 4.39 parsed_2mjs 1
89 1 . . . . . 3.39 1.00 3.39 parsed_2mjs 1
90 1 . . . . . 3.76 1.00 3.76 parsed_2mjs 1
91 1 . . . . . 2.58 1.00 2.58 parsed_2mjs 1
92 1 . . . . . 3.05 1.00 3.05 parsed_2mjs 1
93 1 . . . . . 3.47 1.00 3.47 parsed_2mjs 1
94 1 . . . . . 3.25 1.00 3.25 parsed_2mjs 1
95 1 . . . . . 3.56 1.00 3.56 parsed_2mjs 1
96 1 . . . . . 3.14 1.00 3.14 parsed_2mjs 1
97 1 . . . . . 3.21 1.00 3.21 parsed_2mjs 1
98 1 . . . . . 4.62 1.00 4.62 parsed_2mjs 1
99 1 . . . . . 4.86 1.00 4.86 parsed_2mjs 1
100 1 . . . . . 3.44 1.00 3.44 parsed_2mjs 1
101 1 . . . . . 6.42 1.00 6.42 parsed_2mjs 1
102 1 . . . . . 3.41 1.00 3.41 parsed_2mjs 1
103 1 . . . . . 5.45 1.00 5.45 parsed_2mjs 1
104 1 . . . . . 3.05 1.00 3.05 parsed_2mjs 1
105 1 . . . . . 2.63 1.00 2.63 parsed_2mjs 1
106 1 . . . . . 3.83 1.00 3.83 parsed_2mjs 1
107 1 . . . . . 3.72 1.00 3.72 parsed_2mjs 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
;
XPLOR restraints file generated from CYANA upl file
../Anoplin_5K8W.upl by xtools
;
1 1 2 34 parsed_2mjs 1
2 "peak no 7" 3 75 3 88 parsed_2mjs 1
3 "peak no 12" 4 75 4 88 parsed_2mjs 1
4 "peak no 14" 5 75 5 88 parsed_2mjs 1
5 "peak no 15" 6 75 6 88 parsed_2mjs 1
6 "peak no 20" 7 75 7 88 parsed_2mjs 1
7 "peak no 22" 8 75 8 88 parsed_2mjs 1
8 "peak no 24" 9 75 9 88 parsed_2mjs 1
9 "peak no 35" 10 75 10 88 parsed_2mjs 1
10 "peak no 37" 11 75 11 88 parsed_2mjs 1
11 "peak no 41" 12 75 12 88 parsed_2mjs 1
12 "peak no 43" 13 75 13 88 parsed_2mjs 1
13 "peak no 45" 14 75 14 88 parsed_2mjs 1
14 "peak no 47" 15 75 15 88 parsed_2mjs 1
15 "peak no 68" 16 75 16 88 parsed_2mjs 1
16 "peak no 80" 17 75 17 88 parsed_2mjs 1
17 "peak no 97" 18 75 18 88 parsed_2mjs 1
18 "peak no 108" 19 75 19 88 parsed_2mjs 1
19 "peak no 110" 20 75 20 88 parsed_2mjs 1
20 "peak no 260" 21 75 21 88 parsed_2mjs 1
21 "peak no 261" 22 75 22 88 parsed_2mjs 1
22 "peak no 262" 23 75 23 88 parsed_2mjs 1
23 "peak no 263" 24 75 24 88 parsed_2mjs 1
24 "peak no 264" 25 75 25 88 parsed_2mjs 1
25 "peak no 265" 26 75 26 88 parsed_2mjs 1
26 "peak no 276" 27 75 27 88 parsed_2mjs 1
27 "peak no 279" 28 75 28 88 parsed_2mjs 1
28 "peak no 284" 29 75 29 88 parsed_2mjs 1
29 "peak no 286" 30 75 30 88 parsed_2mjs 1
30 "peak no 288" 31 75 31 88 parsed_2mjs 1
31 "peak no 289" 32 75 32 88 parsed_2mjs 1
32 "peak no 295" 33 75 33 88 parsed_2mjs 1
33 "peak no 299" 34 75 34 88 parsed_2mjs 1
34 "peak no 300" 35 75 35 88 parsed_2mjs 1
35 "peak no 303" 36 75 36 88 parsed_2mjs 1
36 "peak no 304" 37 75 37 88 parsed_2mjs 1
37 "peak no 307" 38 75 38 88 parsed_2mjs 1
38 "peak no 309" 39 75 39 88 parsed_2mjs 1
39 "peak no 310" 40 75 40 88 parsed_2mjs 1
40 "peak no 312" 41 75 41 88 parsed_2mjs 1
41 "peak no 315" 42 75 42 88 parsed_2mjs 1
42 "peak no 316" 43 75 43 88 parsed_2mjs 1
43 "peak no 318" 44 75 44 88 parsed_2mjs 1
44 "peak no 417" 45 75 45 88 parsed_2mjs 1
45 "peak no 442" 46 75 46 88 parsed_2mjs 1
46 "peak no 462" 47 75 47 88 parsed_2mjs 1
47 "peak no 464" 48 75 48 88 parsed_2mjs 1
48 "peak no 466" 49 75 49 88 parsed_2mjs 1
49 "peak no 489" 50 75 50 88 parsed_2mjs 1
50 "peak no 510" 51 75 51 88 parsed_2mjs 1
51 "peak no 512" 52 75 52 88 parsed_2mjs 1
52 "peak no 517" 53 75 53 88 parsed_2mjs 1
53 "peak no 552" 54 75 54 88 parsed_2mjs 1
54 "peak no 115" 55 75 55 88 parsed_2mjs 1
55 "peak no 117" 56 75 56 88 parsed_2mjs 1
56 "peak no 195" 57 75 57 88 parsed_2mjs 1
57 "peak no 224" 58 75 58 88 parsed_2mjs 1
58 "peak no 243" 59 75 59 88 parsed_2mjs 1
59 "peak no 244" 60 75 60 88 parsed_2mjs 1
60 "peak no 328" 61 75 61 88 parsed_2mjs 1
61 "peak no 378" 62 75 62 88 parsed_2mjs 1
62 "peak no 385" 63 75 63 88 parsed_2mjs 1
63 "peak no 400" 64 75 64 88 parsed_2mjs 1
64 "peak no 472" 65 75 65 88 parsed_2mjs 1
65 "peak no 473" 66 75 66 88 parsed_2mjs 1
66 "peak no 499" 67 75 67 88 parsed_2mjs 1
67 "peak no 500" 68 75 68 88 parsed_2mjs 1
68 "peak no 536" 69 75 69 88 parsed_2mjs 1
69 "peak no 545" 70 75 70 88 parsed_2mjs 1
70 "peak no 546" 71 75 71 88 parsed_2mjs 1
71 "peak no 1" 72 75 72 88 parsed_2mjs 1
72 "peak no 4" 73 75 73 88 parsed_2mjs 1
73 "peak no 248" 74 75 74 88 parsed_2mjs 1
74 "peak no 252" 75 75 75 88 parsed_2mjs 1
75 "peak no 411" 76 75 76 88 parsed_2mjs 1
76 "peak no 413" 77 75 77 88 parsed_2mjs 1
77 "peak no 432" 78 75 78 88 parsed_2mjs 1
78 "peak no 433" 79 75 79 88 parsed_2mjs 1
79 "peak no 436" 80 75 80 88 parsed_2mjs 1
80 "peak no 437" 81 75 81 88 parsed_2mjs 1
81 "peak no 439" 82 75 82 88 parsed_2mjs 1
82 "peak no 531" 83 75 83 88 parsed_2mjs 1
83 "peak no 540" 84 75 84 88 parsed_2mjs 1
84 "peak no 542" 85 75 85 88 parsed_2mjs 1
85 "peak no 9" 86 75 86 88 parsed_2mjs 1
86 "peak no 80" 87 75 87 88 parsed_2mjs 1
87 "peak no 432" 88 75 88 88 parsed_2mjs 1
88 "peak no 18" 89 75 89 88 parsed_2mjs 1
89 "peak no 473" 90 75 90 88 parsed_2mjs 1
90 "peak no 472" 91 75 91 88 parsed_2mjs 1
91 "peak no 6" 92 75 92 88 parsed_2mjs 1
92 "peak no 155" 93 75 93 88 parsed_2mjs 1
93 "peak no 183" 94 75 94 88 parsed_2mjs 1
94 "peak no 25" 95 75 95 88 parsed_2mjs 1
95 "peak no 265" 96 75 96 88 parsed_2mjs 1
96 "peak no 144" 97 75 97 88 parsed_2mjs 1
97 "peak no 135" 98 75 98 88 parsed_2mjs 1
98 "peak no 20" 99 75 99 88 parsed_2mjs 1
99 "peak no 33" 100 75 100 88 parsed_2mjs 1
100 "peak no 91" 101 75 101 88 parsed_2mjs 1
101 "peak no 93" 102 75 102 88 parsed_2mjs 1
102 "peak no 39" 103 75 103 88 parsed_2mjs 1
103 "peak no 211" 104 75 104 88 parsed_2mjs 1
104 "peak no 531" 105 75 105 88 parsed_2mjs 1
105 "peak no 30" 106 75 106 88 parsed_2mjs 1
106 "peak no 213" 107 75 107 88 parsed_2mjs 1
107 "peak no 293" 108 75 108 88 parsed_2mjs 1
108 "peak no 38" 109 75 109 88 parsed_2mjs 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mjs
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.00 -31.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2mjs 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2mjs 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2mjs 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -8.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2mjs 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -34.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2mjs 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -12.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2mjs 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.00 -35.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2mjs 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -12.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2mjs 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2mjs 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -11.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2mjs 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2mjs 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.00 -15.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2mjs 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2mjs 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -14.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2mjs 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
;
XPLOR restraints file generated from CYANA aco file
../5k8w.aco by xtools
PHI 3
;
1 1 4 8 parsed_2mjs 1
2 "PSI 3" 7 1 7 8 parsed_2mjs 1
3 "PHI 4" 10 1 10 8 parsed_2mjs 1
4 "PSI 4" 13 1 13 8 parsed_2mjs 1
5 "PHI 5" 16 1 16 8 parsed_2mjs 1
6 "PSI 5" 19 1 19 8 parsed_2mjs 1
7 "PHI 6" 22 1 22 8 parsed_2mjs 1
8 "PSI 6" 25 1 25 8 parsed_2mjs 1
9 "PHI 7" 28 1 28 8 parsed_2mjs 1
10 "PSI 7" 31 1 31 8 parsed_2mjs 1
11 "PHI 8" 34 1 34 8 parsed_2mjs 1
12 "PSI 8" 37 1 37 8 parsed_2mjs 1
13 "PHI 9" 40 1 40 8 parsed_2mjs 1
14 "PSI 9" 43 1 43 8 parsed_2mjs 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mjs
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "general distance"
_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_2mjs 2
2 1 . . . parsed_2mjs 2
3 1 . . . parsed_2mjs 2
4 1 . . . parsed_2mjs 2
5 1 . . . parsed_2mjs 2
6 1 . . . parsed_2mjs 2
7 1 . . . parsed_2mjs 2
8 1 . . . parsed_2mjs 2
9 1 . . . parsed_2mjs 2
10 1 . . . parsed_2mjs 2
11 1 . . . parsed_2mjs 2
12 1 . . . parsed_2mjs 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 . . . . . . . . . 2 . HA parsed_2mjs 2
1 1 2 . . . . . . . . . 32 . X parsed_2mjs 2
2 1 1 . . . . . . . . . 3 . HA parsed_2mjs 2
2 1 2 . . . . . . . . . 32 . X parsed_2mjs 2
3 1 1 . . . . . . . . . 4 . HA parsed_2mjs 2
3 1 2 . . . . . . . . . 32 . X parsed_2mjs 2
4 1 1 . . . . . . . . . 5 . HA parsed_2mjs 2
4 1 2 . . . . . . . . . 32 . X parsed_2mjs 2
5 1 1 . . . . . . . . . 6 . HA parsed_2mjs 2
5 1 2 . . . . . . . . . 32 . X parsed_2mjs 2
6 1 1 . . . . . . . . . 6 . HN parsed_2mjs 2
6 1 2 . . . . . . . . . 32 . X parsed_2mjs 2
7 1 1 . . . . . . . . . 7 . HA parsed_2mjs 2
7 1 2 . . . . . . . . . 32 . X parsed_2mjs 2
8 1 1 . . . . . . . . . 7 . HN parsed_2mjs 2
8 1 2 . . . . . . . . . 32 . X parsed_2mjs 2
9 1 1 . . . . . . . . . 8 . HA parsed_2mjs 2
9 1 2 . . . . . . . . . 32 . X parsed_2mjs 2
10 1 1 . . . . . . . . . 9 . HA parsed_2mjs 2
10 1 2 . . . . . . . . . 32 . X parsed_2mjs 2
11 1 1 . . . . . . . . . 10 . HA parsed_2mjs 2
11 1 2 . . . . . . . . . 32 . X parsed_2mjs 2
12 1 1 . . . . . . . . . 10 . HN parsed_2mjs 2
12 1 2 . . . . . . . . . 32 . X parsed_2mjs 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 . . . . . 18.50 17.50 19.50 parsed_2mjs 2
2 1 . . . . . 17.03 16.03 18.03 parsed_2mjs 2
3 1 . . . . . 21.46 20.46 22.46 parsed_2mjs 2
4 1 . . . . . 22.22 21.22 23.22 parsed_2mjs 2
5 1 . . . . . 16.26 15.26 17.26 parsed_2mjs 2
6 1 . . . . . 17.04 16.04 18.04 parsed_2mjs 2
7 1 . . . . . 18.88 17.88 19.88 parsed_2mjs 2
8 1 . . . . . 18.75 17.75 19.75 parsed_2mjs 2
9 1 . . . . . 22.91 21.91 23.91 parsed_2mjs 2
10 1 . . . . . 20.24 19.24 21.24 parsed_2mjs 2
11 1 . . . . . 18.79 17.79 19.79 parsed_2mjs 2
12 1 . . . . . 18.86 17.86 19.86 parsed_2mjs 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 "distance constraints to micelle center (X)" 1 1 1 45 parsed_2mjs 2
2 "peak no 542" 2 76 2 89 parsed_2mjs 2
3 "peak no 542" 3 76 3 89 parsed_2mjs 2
4 "peak no 542" 4 76 4 89 parsed_2mjs 2
5 "peak no 542" 5 76 5 89 parsed_2mjs 2
6 "peak no 542" 6 76 6 89 parsed_2mjs 2
7 "peak no 542" 7 76 7 89 parsed_2mjs 2
8 "peak no 542" 8 76 8 89 parsed_2mjs 2
9 "peak no 542" 9 76 9 89 parsed_2mjs 2
10 "peak no 542" 10 76 10 89 parsed_2mjs 2
11 "peak no 542" 11 76 11 89 parsed_2mjs 2
12 "peak no 542" 12 76 12 89 parsed_2mjs 2
13 "peak no 542" 13 76 13 89 parsed_2mjs 2
stop_
save_
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