NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
32735 |
1gq0   |
cing | 2-parsed | STAR | entry | full | 87 |
data_1gq0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1gq0
_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_1gq0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1gq0
_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 1gq0 "Master copy" parsed_1gq0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1gq0
_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 1gq0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1gq0 1
1 1gq0.mr . . XPLOR/CNS 2 distance NOE ambi 87 parsed_1gq0 1
1 1gq0.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1gq0 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_1gq0
_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 PEPTAIBOL 31-JAN-01 1GQ0
*TITLE SOLUTION STRUCTURE OF ANTIAMOEBIN I, A MEMBRANE
*TITLE 2 CHANNEL-FORMING POLYPEPTIDE; NMR, 20 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ANTIAMOEBIN I;
*COMPND 3 CHAIN: A
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: EMERICELLIOPSIS SP.
*KEYWDS PEPTAIBOL, ION CHANNEL, MEMBRANE POLYPEPTIDE, ANTIBIOTIC
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR T.P.GALBRAITH,R.HARRIS,P.C.DRISCOLL,B.A.WALLACE
*REVDAT 1 03-DEC-01 1GQ0 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1gq0
_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_1gq0 1
2 1 . . . parsed_1gq0 1
3 1 . . . parsed_1gq0 1
4 1 . . . parsed_1gq0 1
5 1 . . . parsed_1gq0 1
6 1 . . . parsed_1gq0 1
7 1 . . . parsed_1gq0 1
8 1 . . . parsed_1gq0 1
9 1 . . . parsed_1gq0 1
10 1 . . . parsed_1gq0 1
11 1 . . . parsed_1gq0 1
12 1 . . . parsed_1gq0 1
13 1 . . . parsed_1gq0 1
14 1 . . . parsed_1gq0 1
15 1 . . . parsed_1gq0 1
16 1 . . . parsed_1gq0 1
17 1 . . . parsed_1gq0 1
18 1 . . . parsed_1gq0 1
19 1 . . . parsed_1gq0 1
20 1 . . . parsed_1gq0 1
21 1 . . . parsed_1gq0 1
22 1 . . . parsed_1gq0 1
23 1 . . . parsed_1gq0 1
24 1 . . . parsed_1gq0 1
25 1 . . . parsed_1gq0 1
26 1 . . . parsed_1gq0 1
27 1 . . . parsed_1gq0 1
28 1 . . . parsed_1gq0 1
29 1 . . . parsed_1gq0 1
30 1 . . . parsed_1gq0 1
31 1 . . . parsed_1gq0 1
32 1 . . . parsed_1gq0 1
33 1 . . . parsed_1gq0 1
34 1 . . . parsed_1gq0 1
35 1 . . . parsed_1gq0 1
36 1 . . . parsed_1gq0 1
37 1 . . . parsed_1gq0 1
38 1 . . . parsed_1gq0 1
39 1 . . . parsed_1gq0 1
40 1 . . . parsed_1gq0 1
41 1 . . . parsed_1gq0 1
42 1 . . . parsed_1gq0 1
43 1 . . . parsed_1gq0 1
44 1 . . . parsed_1gq0 1
45 1 . . . parsed_1gq0 1
46 1 . . . parsed_1gq0 1
47 1 . . . parsed_1gq0 1
48 1 . . . parsed_1gq0 1
49 1 . . . parsed_1gq0 1
50 1 . . . parsed_1gq0 1
51 1 . . . parsed_1gq0 1
52 1 . . . parsed_1gq0 1
53 1 . . . parsed_1gq0 1
54 1 . . . parsed_1gq0 1
55 1 . . . parsed_1gq0 1
56 1 . . . parsed_1gq0 1
57 1 . . . parsed_1gq0 1
58 1 . . . parsed_1gq0 1
59 1 . . . parsed_1gq0 1
60 1 . . . parsed_1gq0 1
61 1 . . . parsed_1gq0 1
62 1 . . . parsed_1gq0 1
63 1 . . . parsed_1gq0 1
64 1 . . . parsed_1gq0 1
65 1 . . . parsed_1gq0 1
66 1 . . . parsed_1gq0 1
67 1 . . . parsed_1gq0 1
68 1 . . . parsed_1gq0 1
69 1 . . . parsed_1gq0 1
70 1 . . . parsed_1gq0 1
71 1 . . . parsed_1gq0 1
72 1 . . . parsed_1gq0 1
73 1 . . . parsed_1gq0 1
74 1 . . . parsed_1gq0 1
75 1 . . . parsed_1gq0 1
76 1 . . . parsed_1gq0 1
77 1 . . . parsed_1gq0 1
78 1 . . . parsed_1gq0 1
79 1 . . . parsed_1gq0 1
80 1 . . . parsed_1gq0 1
81 1 . . . parsed_1gq0 1
82 1 . . . parsed_1gq0 1
83 1 . . . parsed_1gq0 1
84 1 . . . parsed_1gq0 1
85 1 . . . parsed_1gq0 1
86 1 . . . parsed_1gq0 1
87 1 . . . parsed_1gq0 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 . HA* parsed_1gq0 1
1 1 2 . . . . . . . . . 2 . HN parsed_1gq0 1
2 1 1 . . . . . . . . . 2 . HN parsed_1gq0 1
2 1 2 . . . . . . . . . 2 . HA parsed_1gq0 1
3 1 1 . . . . . . . . . 2 . HN parsed_1gq0 1
3 1 2 . . . . . . . . . 2 . HB2 parsed_1gq0 1
4 1 1 . . . . . . . . . 2 . HN parsed_1gq0 1
4 1 2 . . . . . . . . . 4 . HN parsed_1gq0 1
5 1 1 . . . . . . . . . 2 . HA parsed_1gq0 1
5 1 2 . . . . . . . . . 2 . HB2 parsed_1gq0 1
6 1 1 . . . . . . . . . 2 . HA parsed_1gq0 1
6 1 2 . . . . . . . . . 2 . HB1 parsed_1gq0 1
7 1 1 . . . . . . . . . 3 . HB1* parsed_1gq0 1
7 1 2 . . . . . . . . . 4 . HN parsed_1gq0 1
8 1 1 . . . . . . . . . 4 . HN parsed_1gq0 1
8 1 2 . . . . . . . . . 4 . HB1* parsed_1gq0 1
8 1 2 . . . . . . . . . 4 . HB2* parsed_1gq0 1
9 1 1 . . . . . . . . . 4 . HN parsed_1gq0 1
9 1 2 . . . . . . . . . 5 . HN parsed_1gq0 1
10 1 1 . . . . . . . . . 4 . HB2* parsed_1gq0 1
10 1 2 . . . . . . . . . 5 . HN parsed_1gq0 1
11 1 1 . . . . . . . . . 5 . HN parsed_1gq0 1
11 1 2 . . . . . . . . . 5 . HB1* parsed_1gq0 1
11 1 2 . . . . . . . . . 5 . HB2* parsed_1gq0 1
12 1 1 . . . . . . . . . 5 . HN parsed_1gq0 1
12 1 2 . . . . . . . . . 6 . HN parsed_1gq0 1
13 1 1 . . . . . . . . . 5 . HB1* parsed_1gq0 1
13 1 2 . . . . . . . . . 6 . HN parsed_1gq0 1
14 1 1 . . . . . . . . . 6 . HN parsed_1gq0 1
14 1 2 . . . . . . . . . 6 . HB1* parsed_1gq0 1
15 1 1 . . . . . . . . . 6 . HN parsed_1gq0 1
15 1 2 . . . . . . . . . 6 . HB2* parsed_1gq0 1
16 1 1 . . . . . . . . . 6 . HN parsed_1gq0 1
16 1 2 . . . . . . . . . 7 . HN parsed_1gq0 1
17 1 1 . . . . . . . . . 6 . HB1B parsed_1gq0 1
17 1 2 . . . . . . . . . 7 . HN parsed_1gq0 1
18 1 1 . . . . . . . . . 6 . HB2* parsed_1gq0 1
18 1 2 . . . . . . . . . 7 . HN parsed_1gq0 1
19 1 1 . . . . . . . . . 7 . HN parsed_1gq0 1
19 1 2 . . . . . . . . . 7 . HA2 parsed_1gq0 1
20 1 1 . . . . . . . . . 7 . HN parsed_1gq0 1
20 1 2 . . . . . . . . . 7 . HA1 parsed_1gq0 1
21 1 1 . . . . . . . . . 7 . HN parsed_1gq0 1
21 1 2 . . . . . . . . . 8 . HN parsed_1gq0 1
22 1 1 . . . . . . . . . 7 . HA2 parsed_1gq0 1
22 1 2 . . . . . . . . . 8 . HN parsed_1gq0 1
23 1 1 . . . . . . . . . 7 . HA1 parsed_1gq0 1
23 1 2 . . . . . . . . . 8 . HN parsed_1gq0 1
24 1 1 . . . . . . . . . 8 . HN parsed_1gq0 1
24 1 2 . . . . . . . . . 8 . HA parsed_1gq0 1
25 1 1 . . . . . . . . . 8 . HN parsed_1gq0 1
25 1 2 . . . . . . . . . 8 . HB1 parsed_1gq0 1
26 1 1 . . . . . . . . . 8 . HN parsed_1gq0 1
26 1 2 . . . . . . . . . 8 . HG parsed_1gq0 1
27 1 1 . . . . . . . . . 8 . HN parsed_1gq0 1
27 1 2 . . . . . . . . . 9 . HN parsed_1gq0 1
28 1 1 . . . . . . . . . 8 . HA parsed_1gq0 1
28 1 2 . . . . . . . . . 8 . HB1 parsed_1gq0 1
29 1 1 . . . . . . . . . 8 . HA parsed_1gq0 1
29 1 2 . . . . . . . . . 9 . HN parsed_1gq0 1
30 1 1 . . . . . . . . . 8 . HA parsed_1gq0 1
30 1 2 . . . . . . . . . 10 . HN parsed_1gq0 1
31 1 1 . . . . . . . . . 9 . HN parsed_1gq0 1
31 1 2 . . . . . . . . . 9 . HB1* parsed_1gq0 1
32 1 1 . . . . . . . . . 9 . HN parsed_1gq0 1
32 1 2 . . . . . . . . . 9 . HB2* parsed_1gq0 1
33 1 1 . . . . . . . . . 10 . HN parsed_1gq0 1
33 1 2 . . . . . . . . . 10 . HB1* parsed_1gq0 1
34 1 1 . . . . . . . . . 10 . HN parsed_1gq0 1
34 1 2 . . . . . . . . . 10 . HB2* parsed_1gq0 1
35 1 1 . . . . . . . . . 10 . HN parsed_1gq0 1
35 1 2 . . . . . . . . . 11 . HD1 parsed_1gq0 1
36 1 1 . . . . . . . . . 10 . HN parsed_1gq0 1
36 1 2 . . . . . . . . . 11 . HD2 parsed_1gq0 1
37 1 1 . . . . . . . . . 10 . HB1* parsed_1gq0 1
37 1 1 . . . . . . . . . 10 . HB2* parsed_1gq0 1
37 1 2 . . . . . . . . . 11 . HA parsed_1gq0 1
38 1 1 . . . . . . . . . 11 . HA parsed_1gq0 1
38 1 2 . . . . . . . . . 11 . HB1 parsed_1gq0 1
39 1 1 . . . . . . . . . 11 . HA parsed_1gq0 1
39 1 2 . . . . . . . . . 12 . HN parsed_1gq0 1
40 1 1 . . . . . . . . . 11 . HB2 parsed_1gq0 1
40 1 2 . . . . . . . . . 11 . HD1 parsed_1gq0 1
41 1 1 . . . . . . . . . 11 . HB1 parsed_1gq0 1
41 1 2 . . . . . . . . . 12 . HN parsed_1gq0 1
42 1 1 . . . . . . . . . 11 . HG parsed_1gq0 1
42 1 2 . . . . . . . . . 11 . HD2 parsed_1gq0 1
43 1 1 . . . . . . . . . 11 . HD2 parsed_1gq0 1
43 1 2 . . . . . . . . . 12 . HN parsed_1gq0 1
44 1 1 . . . . . . . . . 12 . HN parsed_1gq0 1
44 1 2 . . . . . . . . . 12 . HA parsed_1gq0 1
45 1 1 . . . . . . . . . 12 . HN parsed_1gq0 1
45 1 2 . . . . . . . . . 12 . HB2 parsed_1gq0 1
46 1 1 . . . . . . . . . 12 . HN parsed_1gq0 1
46 1 2 . . . . . . . . . 12 . HG2 parsed_1gq0 1
47 1 1 . . . . . . . . . 12 . HN parsed_1gq0 1
47 1 2 . . . . . . . . . 13 . HN parsed_1gq0 1
48 1 1 . . . . . . . . . 12 . HA parsed_1gq0 1
48 1 2 . . . . . . . . . 12 . HB* parsed_1gq0 1
49 1 1 . . . . . . . . . 12 . HA parsed_1gq0 1
49 1 2 . . . . . . . . . 12 . HG2 parsed_1gq0 1
50 1 1 . . . . . . . . . 12 . HA parsed_1gq0 1
50 1 2 . . . . . . . . . 14 . HD1 parsed_1gq0 1
51 1 1 . . . . . . . . . 12 . HB1 parsed_1gq0 1
51 1 2 . . . . . . . . . 13 . HN parsed_1gq0 1
52 1 1 . . . . . . . . . 13 . HN parsed_1gq0 1
52 1 2 . . . . . . . . . 13 . HB1B parsed_1gq0 1
53 1 1 . . . . . . . . . 13 . HN parsed_1gq0 1
53 1 2 . . . . . . . . . 13 . HB2* parsed_1gq0 1
54 1 1 . . . . . . . . . 13 . HN parsed_1gq0 1
54 1 2 . . . . . . . . . 14 . HD2 parsed_1gq0 1
55 1 1 . . . . . . . . . 13 . HB2* parsed_1gq0 1
55 1 2 . . . . . . . . . 14 . HA parsed_1gq0 1
56 1 1 . . . . . . . . . 14 . HA parsed_1gq0 1
56 1 2 . . . . . . . . . 14 . HB1 parsed_1gq0 1
57 1 1 . . . . . . . . . 14 . HA parsed_1gq0 1
57 1 2 . . . . . . . . . 14 . HB2 parsed_1gq0 1
58 1 1 . . . . . . . . . 14 . HA parsed_1gq0 1
58 1 2 . . . . . . . . . 15 . HN parsed_1gq0 1
59 1 1 . . . . . . . . . 14 . HB1 parsed_1gq0 1
59 1 2 . . . . . . . . . 14 . HD2 parsed_1gq0 1
60 1 1 . . . . . . . . . 14 . HG parsed_1gq0 1
60 1 2 . . . . . . . . . 14 . HD2 parsed_1gq0 1
61 1 1 . . . . . . . . . 15 . HN parsed_1gq0 1
61 1 2 . . . . . . . . . 15 . HB1* parsed_1gq0 1
62 1 1 . . . . . . . . . 15 . HN parsed_1gq0 1
62 1 2 . . . . . . . . . 15 . HB2* parsed_1gq0 1
63 1 1 . . . . . . . . . 15 . HN parsed_1gq0 1
63 1 2 . . . . . . . . . 16 . HD1 parsed_1gq0 1
64 1 1 . . . . . . . . . 16 . HA parsed_1gq0 1
64 1 2 . . . . . . . . . 17 . HN parsed_1gq0 1
65 1 1 . . . . . . . . . 16 . HB1 parsed_1gq0 1
65 1 2 . . . . . . . . . 16 . HG2 parsed_1gq0 1
66 1 1 . . . . . . . . . 16 . HD1 parsed_1gq0 1
66 1 2 . . . . . . . . . 17 . HN parsed_1gq0 1
67 1 1 . . . . . . . . . 17 . HN parsed_1gq0 1
67 1 2 . . . . . . . . . 17 . HA parsed_1gq0 1
68 1 1 . . . . . . . . . 17 . HN parsed_1gq0 1
68 1 2 . . . . . . . . . 17 . H2 parsed_1gq0 1
69 1 1 . . . . . . . . . 17 . HA parsed_1gq0 1
69 1 2 . . . . . . . . . 17 . H1 parsed_1gq0 1
70 1 1 . . . . . . . . . 17 . HB2 parsed_1gq0 1
70 1 2 . . . . . . . . . 17 . H1 parsed_1gq0 1
71 1 1 . . . . . . . . . 2 . HA parsed_1gq0 1
71 1 2 . . . . . . . . . 4 . HN parsed_1gq0 1
72 1 1 . . . . . . . . . 4 . HN parsed_1gq0 1
72 1 2 . . . . . . . . . 8 . HA parsed_1gq0 1
73 1 1 . . . . . . . . . 7 . HA2 parsed_1gq0 1
73 1 2 . . . . . . . . . 10 . HN parsed_1gq0 1
74 1 1 . . . . . . . . . 12 . HA parsed_1gq0 1
74 1 2 . . . . . . . . . 15 . HN parsed_1gq0 1
75 1 1 . . . . . . . . . 15 . HB2* parsed_1gq0 1
75 1 2 . . . . . . . . . 16 . HA parsed_1gq0 1
76 1 1 . . . . . . . . . 15 . HB1* parsed_1gq0 1
76 1 2 . . . . . . . . . 16 . HD1 parsed_1gq0 1
77 1 1 . . . . . . . . . 15 . HB1* parsed_1gq0 1
77 1 2 . . . . . . . . . 17 . HN parsed_1gq0 1
78 1 1 . . . . . . . . . 16 . HB1 parsed_1gq0 1
78 1 2 . . . . . . . . . 17 . HN parsed_1gq0 1
79 1 1 . . . . . . . . . 16 . HB2 parsed_1gq0 1
79 1 2 . . . . . . . . . 17 . HN parsed_1gq0 1
80 1 1 . . . . . . . . . 16 . HG2 parsed_1gq0 1
80 1 2 . . . . . . . . . 17 . HN parsed_1gq0 1
81 1 1 . . . . . . . . . 2 . HB1 parsed_1gq0 1
81 1 2 . . . . . . . . . 4 . HN parsed_1gq0 1
82 1 1 . . . . . . . . . 2 . HB1 parsed_1gq0 1
82 1 2 . . . . . . . . . 5 . HN parsed_1gq0 1
83 1 1 . . . . . . . . . 4 . HB2* parsed_1gq0 1
83 1 2 . . . . . . . . . 6 . HN parsed_1gq0 1
84 1 1 . . . . . . . . . 5 . HN parsed_1gq0 1
84 1 2 . . . . . . . . . 8 . HB1 parsed_1gq0 1
85 1 1 . . . . . . . . . 5 . HB2* parsed_1gq0 1
85 1 2 . . . . . . . . . 8 . HN parsed_1gq0 1
86 1 1 . . . . . . . . . 17 . HN parsed_1gq0 1
86 1 2 . . . . . . . . . 17 . HB1 parsed_1gq0 1
87 1 1 . . . . . . . . . 17 . HN parsed_1gq0 1
87 1 2 . . . . . . . . . 17 . HB2 parsed_1gq0 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.5 2.5 4.5 parsed_1gq0 1
2 1 . . . . . 2.5 1.9 3.4 parsed_1gq0 1
3 1 . . . . . 3.1 2.8 3.4 parsed_1gq0 1
4 1 . . . . . 3.5 3.1 3.9 parsed_1gq0 1
5 1 . . . . . 3.0 2.7 3.3 parsed_1gq0 1
6 1 . . . . . 2.9 2.6 3.2 parsed_1gq0 1
7 1 . . . . . 3.6 2.8 4.4 parsed_1gq0 1
8 1 . . . . . 3.0 2.4 3.6 parsed_1gq0 1
9 1 . . . . . 2.5 1.5 3.5 parsed_1gq0 1
10 1 . . . . . 3.5 2.7 4.3 parsed_1gq0 1
11 1 . . . . . 3.2 1.9 5.2 parsed_1gq0 1
12 1 . . . . . 3.9 2.8 5.2 parsed_1gq0 1
13 1 . . . . . 2.8 1.8 3.3 parsed_1gq0 1
14 1 . . . . . 3.0 1.9 4.3 parsed_1gq0 1
15 1 . . . . . 3.2 2.4 5.2 parsed_1gq0 1
16 1 . . . . . 3.1 2.8 3.4 parsed_1gq0 1
17 1 . . . . . 3.6 2.6 4.6 parsed_1gq0 1
18 1 . . . . . 3.5 2.6 5.2 parsed_1gq0 1
19 1 . . . . . 2.8 2.2 3.4 parsed_1gq0 1
20 1 . . . . . 2.7 2.1 3.3 parsed_1gq0 1
21 1 . . . . . 3.15 2.55 3.75 parsed_1gq0 1
22 1 . . . . . 3.3 3.0 3.6 parsed_1gq0 1
23 1 . . . . . 3.4 3.1 3.7 parsed_1gq0 1
24 1 . . . . . 2.8 2.2 3.4 parsed_1gq0 1
25 1 . . . . . 3.1 2.7 4.2 parsed_1gq0 1
26 1 . . . . . 2.5 1.5 3.5 parsed_1gq0 1
27 1 . . . . . 3.05 2.45 3.65 parsed_1gq0 1
28 1 . . . . . 2.5 2.2 2.8 parsed_1gq0 1
29 1 . . . . . 2.8 2.2 3.4 parsed_1gq0 1
30 1 . . . . . 3.7 2.9 4.5 parsed_1gq0 1
31 1 . . . . . 3.0 2.4 3.6 parsed_1gq0 1
32 1 . . . . . 3.2 2.6 3.8 parsed_1gq0 1
33 1 . . . . . 4.0 2.8 6.0 parsed_1gq0 1
34 1 . . . . . 3.1 2.7 3.9 parsed_1gq0 1
35 1 . . . . . 3.5 3.1 3.9 parsed_1gq0 1
36 1 . . . . . 2.8 2.5 3.1 parsed_1gq0 1
37 1 . . . . . 4.8 3.8 5.8 parsed_1gq0 1
38 1 . . . . . 2.3 2.1 2.5 parsed_1gq0 1
39 1 . . . . . 3.4 2.8 4.0 parsed_1gq0 1
40 1 . . . . . 2.8 2.2 3.4 parsed_1gq0 1
41 1 . . . . . 3.9 2.9 4.9 parsed_1gq0 1
42 1 . . . . . 3.0 2.4 3.6 parsed_1gq0 1
43 1 . . . . . 3.7 2.5 5.6 parsed_1gq0 1
44 1 . . . . . 3.0 2.4 3.6 parsed_1gq0 1
45 1 . . . . . 2.5 2.2 2.8 parsed_1gq0 1
46 1 . . . . . 3.0 2.7 3.3 parsed_1gq0 1
47 1 . . . . . 2.65 2.05 3.25 parsed_1gq0 1
48 1 . . . . . 2.7 2.1 3.3 parsed_1gq0 1
49 1 . . . . . 3.2 2.9 3.5 parsed_1gq0 1
50 1 . . . . . 3.6 3.2 4.0 parsed_1gq0 1
51 1 . . . . . 3.6 2.8 4.4 parsed_1gq0 1
52 1 . . . . . 3.8 3.0 4.6 parsed_1gq0 1
53 1 . . . . . 2.9 2.3 3.5 parsed_1gq0 1
54 1 . . . . . 3.3 3.0 3.6 parsed_1gq0 1
55 1 . . . . . 5.7 4.7 6.7 parsed_1gq0 1
56 1 . . . . . 3.4 3.1 3.7 parsed_1gq0 1
57 1 . . . . . 2.4 2.2 2.6 parsed_1gq0 1
58 1 . . . . . 3.4 2.8 4.0 parsed_1gq0 1
59 1 . . . . . 3.2 2.9 3.5 parsed_1gq0 1
60 1 . . . . . 2.8 2.2 3.4 parsed_1gq0 1
61 1 . . . . . 3.3 2.8 4.9 parsed_1gq0 1
62 1 . . . . . 2.8 2.2 3.4 parsed_1gq0 1
63 1 . . . . . 3.5 2.5 4.5 parsed_1gq0 1
64 1 . . . . . 3.4 3.1 3.7 parsed_1gq0 1
65 1 . . . . . 2.9 2.6 3.2 parsed_1gq0 1
66 1 . . . . . 4.2 3.2 5.2 parsed_1gq0 1
67 1 . . . . . 2.7 1.0 3.4 parsed_1gq0 1
68 1 . . . . . 3.0 2.4 3.6 parsed_1gq0 1
69 1 . . . . . 3.4 2.8 4.0 parsed_1gq0 1
70 1 . . . . . 3.3 2.7 3.9 parsed_1gq0 1
71 1 . . . . . 3.9 3.1 4.7 parsed_1gq0 1
72 1 . . . . . 3.8 3.0 4.6 parsed_1gq0 1
73 1 . . . . . 3.9 3.5 4.3 parsed_1gq0 1
74 1 . . . . . 4.3 3.3 5.3 parsed_1gq0 1
75 1 . . . . . 4.0 3.0 5.0 parsed_1gq0 1
76 1 . . . . . 5.7 4.9 6.5 parsed_1gq0 1
77 1 . . . . . 4.0 3.0 5.0 parsed_1gq0 1
78 1 . . . . . 4.5 4.0 5.3 parsed_1gq0 1
79 1 . . . . . 2.9 2.6 3.2 parsed_1gq0 1
80 1 . . . . . 4.0 3.2 4.8 parsed_1gq0 1
81 1 . . . . . 3.6 3.2 4.0 parsed_1gq0 1
82 1 . . . . . 3.8 3.0 4.6 parsed_1gq0 1
83 1 . . . . . 4.7 3.7 5.7 parsed_1gq0 1
84 1 . . . . . 3.6 2.8 4.4 parsed_1gq0 1
85 1 . . . . . 3.9 3.1 4.7 parsed_1gq0 1
86 1 . . . . . 2.7 2.1 3.3 parsed_1gq0 1
87 1 . . . . . 4.2 3.4 5.0 parsed_1gq0 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
;
a combination of renum_checked.tbl and 150_roe.tbl
Marked M for restraints from mardigras, H for restraints by hand
Violations of hybrid1/hybrid2_chain_a.pdb omitted for third run
;
1 1 3 65 parsed_1gq0 1
2 "M !error added" 4 77 4 93 parsed_1gq0 1
3 M 5 77 5 79 parsed_1gq0 1
4 "H !R" 6 77 6 82 parsed_1gq0 1
5 H 7 77 7 79 parsed_1gq0 1
6 "H !R swapped" 8 77 8 90 parsed_1gq0 1
7 "H !R swapped" 9 77 9 90 parsed_1gq0 1
8 "H !TBR" 10 77 10 84 parsed_1gq0 1
9 "H !TBR" 11 92 11 99 parsed_1gq0 1
10 "M !error added" 12 77 12 92 parsed_1gq0 1
11 "H !R" 13 77 13 82 parsed_1gq0 1
12 "M !TBR" 14 92 14 99 parsed_1gq0 1
13 M 15 77 15 79 parsed_1gq0 1
14 "M !R" 16 77 16 82 parsed_1gq0 1
15 "M !TBR" 17 77 17 85 parsed_1gq0 1
16 "M !TBR" 18 77 18 84 parsed_1gq0 1
17 H 19 77 19 79 parsed_1gq0 1
18 "M !R swapped" 20 77 20 90 parsed_1gq0 1
19 M 21 77 21 79 parsed_1gq0 1
20 "H !R swapped" 22 77 22 90 parsed_1gq0 1
21 "H !R swapped" 23 77 23 90 parsed_1gq0 1
22 "H error x2" 24 78 24 89 parsed_1gq0 1
23 "H !R swapped" 25 77 25 90 parsed_1gq0 1
24 "H !R swapped" 26 77 26 90 parsed_1gq0 1
25 "H error x2" 27 77 27 88 parsed_1gq0 1
26 "M !R or 2.6 0.6 0.6" 28 77 28 97 parsed_1gq0 1
27 "M !error added" 29 77 29 92 parsed_1gq0 1
28 "H error x2" 30 78 30 89 parsed_1gq0 1
29 "H !R" 31 77 31 82 parsed_1gq0 1
30 H 32 77 32 79 parsed_1gq0 1
31 "H error x2" 33 77 33 88 parsed_1gq0 1
32 "H !TBR error x2" 34 77 34 93 parsed_1gq0 1
33 "H !TBR error x2" 35 77 35 93 parsed_1gq0 1
34 "M !R" 36 77 36 82 parsed_1gq0 1
35 "M !R" 37 77 37 82 parsed_1gq0 1
36 "H !R or 2.8 0.3 0.3" 38 77 38 97 parsed_1gq0 1
37 "H !R or 3.5 0.4 0.4" 39 77 39 97 parsed_1gq0 1
38 "M !error added !TBR" 40 92 40 112 parsed_1gq0 1
39 "H !R" 41 77 41 82 parsed_1gq0 1
40 H 42 77 42 79 parsed_1gq0 1
41 "H !R" 43 77 43 82 parsed_1gq0 1
42 "M !R" 44 77 44 82 parsed_1gq0 1
43 "H !R or 3.8 0.4 0.4 error x2" 45 77 45 106 parsed_1gq0 1
44 "M !R swapped" 46 77 46 90 parsed_1gq0 1
45 H 47 77 47 79 parsed_1gq0 1
46 "H !R" 48 77 48 82 parsed_1gq0 1
47 "H !R" 49 77 49 82 parsed_1gq0 1
48 "H error x2" 50 78 50 89 parsed_1gq0 1
49 "H !TBR error x2" 51 77 51 93 parsed_1gq0 1
50 "H !R" 52 77 52 82 parsed_1gq0 1
51 "H !R" 53 77 53 82 parsed_1gq0 1
52 "H !R" 54 77 54 82 parsed_1gq0 1
53 "H !R or 3.5 0.8 0.8" 55 77 55 97 parsed_1gq0 1
54 H 56 77 56 79 parsed_1gq0 1
55 "H !R or 2.6 0.6 0.6" 57 77 57 97 parsed_1gq0 1
56 "M error added" 58 77 58 91 parsed_1gq0 1
57 "H !TBR or 2.4 0.2 0.2" 59 77 59 99 parsed_1gq0 1
58 "H !TBR or 3.4 0.3 0.3" 60 77 60 99 parsed_1gq0 1
59 "H error x2" 61 77 61 88 parsed_1gq0 1
60 "M? !R" 62 77 62 83 parsed_1gq0 1
61 "H !R or 3.7 0.4 0.4 error x2" 63 77 63 106 parsed_1gq0 1
62 "M !TBR (and below)" 64 77 64 96 parsed_1gq0 1
63 "H !TBR or 2.4 0.4 0.4" 65 77 65 99 parsed_1gq0 1
64 "M !error added !R" 66 77 66 95 parsed_1gq0 1
65 H 67 77 67 79 parsed_1gq0 1
66 "H !R or 3.7 0.4 0.4" 68 77 68 97 parsed_1gq0 1
67 "M !error added !R" 69 77 69 95 parsed_1gq0 1
68 M 70 77 70 79 parsed_1gq0 1
69 "H !R error x2" 71 77 71 91 parsed_1gq0 1
70 "H !R error x2" 72 77 72 91 parsed_1gq0 1
71
;
H error x2 !R or 3.2 0.3 0.3
all following restraints could be debatable
;
73 77 74 45 parsed_1gq0 1
72 H 75 77 75 79 parsed_1gq0 1
73 H 76 77 76 80 parsed_1gq0 1
74 "H !R" 77 77 77 82 parsed_1gq0 1
75 "M !error added" 78 77 78 92 parsed_1gq0 1
76 "M !error add !R" 79 77 79 93 parsed_1gq0 1
77 "M !R" 80 77 80 82 parsed_1gq0 1
78 "M !error add !R" 81 77 81 93 parsed_1gq0 1
79 "M !R" 82 77 82 82 parsed_1gq0 1
80 "H !R" 83 77 83 82 parsed_1gq0 1
81
;
H !R
the following restraints added from r6 method
;
84 77 85 47 parsed_1gq0 1
82 "H !R" 86 77 86 82 parsed_1gq0 1
83 "H !R error x2" 87 77 87 91 parsed_1gq0 1
84 "H !R" 88 77 88 82 parsed_1gq0 1
85 "H !R" 89 77 89 82 parsed_1gq0 1
86
;
H !R error x2
above restraint could be 10 HB1*/2* to 8HN
;
90 77 91 44 parsed_1gq0 1
87 "H !R or 4.2 0.4 0.4 error x2" 92 77 92 106 parsed_1gq0 1
88 "H !R or 2.7 0.3 0.3 error x2" 93 77 93 106 parsed_1gq0 1
stop_
save_
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