NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
38007 |
1qn0   |
4435 | cing | 2-parsed | STAR | entry | full | 151 |
data_1qn0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1qn0
_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_1qn0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1qn0
_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 1qn0 "Master copy" parsed_1qn0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1qn0
_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 1qn0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1qn0 1
1 1qn0.mr . . DYANA/DIANA 2 peak "Not applicable" "Not applicable" 0 parsed_1qn0 1
1 1qn0.mr . . DYANA/DIANA 3 distance NOE simple 84 parsed_1qn0 1
1 1qn0.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 67 parsed_1qn0 1
1 1qn0.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1qn0 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_1qn0
_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 ELECTRON TRANSPORT 11-OCT-99 1QN0
*TITLE SOLUTION STRUCTURE OF DESULFOVIBRIO GIGAS FERROCYTOCHROME
*TITLE 2 C3, NMR, 20 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: CYTOCHROME C3;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: TETRAHEME CYTOCHROME;
*COMPND 5 OTHER_DETAILS: CLASS III OF C-TYPE CYTOCHROMES, FULLY
*COMPND 6 REDUCED FORM
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS;
*SOURCE 3 CELLULAR_LOCATION: PERIPLASM
*KEYWDS ELECTRON TRANSPORT, HEMEPROTEIN, CYTOCHROME C3, REDOX-BOHR
*KEYWDS 2 EFFECT, REDOX COOPERATIVITY, ENERGY TRANSDUCTION
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR A.C.MESSIAS,M.L.TEODORO,L.BRENNAN,J.LEGALL,H.SANTOS,
*AUTHOR 2 A.V.XAVIER,D.L.TURNER
;
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1qn0
_Distance_constraint_list.ID 1
_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_1qn0 1
2 1 . . . parsed_1qn0 1
3 1 . . . parsed_1qn0 1
4 1 . . . parsed_1qn0 1
5 1 . . . parsed_1qn0 1
6 1 . . . parsed_1qn0 1
7 1 . . . parsed_1qn0 1
8 1 . . . parsed_1qn0 1
9 1 . . . parsed_1qn0 1
10 1 . . . parsed_1qn0 1
11 1 . . . parsed_1qn0 1
12 1 . . . parsed_1qn0 1
13 1 . . . parsed_1qn0 1
14 1 . . . parsed_1qn0 1
15 1 . . . parsed_1qn0 1
16 1 . . . parsed_1qn0 1
17 1 . . . parsed_1qn0 1
18 1 . . . parsed_1qn0 1
19 1 . . . parsed_1qn0 1
20 1 . . . parsed_1qn0 1
21 1 . . . parsed_1qn0 1
22 1 . . . parsed_1qn0 1
23 1 . . . parsed_1qn0 1
24 1 . . . parsed_1qn0 1
25 1 . . . parsed_1qn0 1
26 1 . . . parsed_1qn0 1
27 1 . . . parsed_1qn0 1
28 1 . . . parsed_1qn0 1
29 1 . . . parsed_1qn0 1
30 1 . . . parsed_1qn0 1
31 1 . . . parsed_1qn0 1
32 1 . . . parsed_1qn0 1
33 1 . . . parsed_1qn0 1
34 1 . . . parsed_1qn0 1
35 1 . . . parsed_1qn0 1
36 1 . . . parsed_1qn0 1
37 1 . . . parsed_1qn0 1
38 1 . . . parsed_1qn0 1
39 1 . . . parsed_1qn0 1
40 1 . . . parsed_1qn0 1
41 1 . . . parsed_1qn0 1
42 1 . . . parsed_1qn0 1
43 1 . . . parsed_1qn0 1
44 1 . . . parsed_1qn0 1
45 1 . . . parsed_1qn0 1
46 1 . . . parsed_1qn0 1
47 1 . . . parsed_1qn0 1
48 1 . . . parsed_1qn0 1
49 1 . . . parsed_1qn0 1
50 1 . . . parsed_1qn0 1
51 1 . . . parsed_1qn0 1
52 1 . . . parsed_1qn0 1
53 1 . . . parsed_1qn0 1
54 1 . . . parsed_1qn0 1
55 1 . . . parsed_1qn0 1
56 1 . . . parsed_1qn0 1
57 1 . . . parsed_1qn0 1
58 1 . . . parsed_1qn0 1
59 1 . . . parsed_1qn0 1
60 1 . . . parsed_1qn0 1
61 1 . . . parsed_1qn0 1
62 1 . . . parsed_1qn0 1
63 1 . . . parsed_1qn0 1
64 1 . . . parsed_1qn0 1
65 1 . . . parsed_1qn0 1
66 1 . . . parsed_1qn0 1
67 1 . . . parsed_1qn0 1
68 1 . . . parsed_1qn0 1
69 1 . . . parsed_1qn0 1
70 1 . . . parsed_1qn0 1
71 1 . . . parsed_1qn0 1
72 1 . . . parsed_1qn0 1
73 1 . . . parsed_1qn0 1
74 1 . . . parsed_1qn0 1
75 1 . . . parsed_1qn0 1
76 1 . . . parsed_1qn0 1
77 1 . . . parsed_1qn0 1
78 1 . . . parsed_1qn0 1
79 1 . . . parsed_1qn0 1
80 1 . . . parsed_1qn0 1
81 1 . . . parsed_1qn0 1
82 1 . . . parsed_1qn0 1
83 1 . . . parsed_1qn0 1
84 1 . . . parsed_1qn0 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 . . . . . . . . . 34 CYSH QCA parsed_1qn0 1
1 1 2 . . . . . . . . . 37 HEMC CAB parsed_1qn0 1
2 1 1 . . . . . . . . . 34 CYSH QCB parsed_1qn0 1
2 1 2 . . . . . . . . . 37 HEMC CBB parsed_1qn0 1
3 1 1 . . . . . . . . . 34 CYSH QC3 parsed_1qn0 1
3 1 2 . . . . . . . . . 37 HEMC C3B parsed_1qn0 1
4 1 1 . . . . . . . . . 37 HEMC QC1C parsed_1qn0 1
4 1 2 . . . . . . . . . 37 HEMC C1C parsed_1qn0 1
5 1 1 . . . . . . . . . 37 HEMC QC2C parsed_1qn0 1
5 1 2 . . . . . . . . . 37 HEMC C2C parsed_1qn0 1
6 1 1 . . . . . . . . . 37 HEMC NA parsed_1qn0 1
6 1 2 . . . . . . . . . 26 HISH NE2 parsed_1qn0 1
7 1 1 . . . . . . . . . 37 HEMC NB parsed_1qn0 1
7 1 2 . . . . . . . . . 26 HISH NE2 parsed_1qn0 1
8 1 1 . . . . . . . . . 37 HEMC NC parsed_1qn0 1
8 1 2 . . . . . . . . . 26 HISH NE2 parsed_1qn0 1
9 1 1 . . . . . . . . . 37 HEMC ND parsed_1qn0 1
9 1 2 . . . . . . . . . 26 HISH NE2 parsed_1qn0 1
10 1 1 . . . . . . . . . 37 HEMC NA parsed_1qn0 1
10 1 2 . . . . . . . . . 38 HISH NE2 parsed_1qn0 1
11 1 1 . . . . . . . . . 37 HEMC NB parsed_1qn0 1
11 1 2 . . . . . . . . . 38 HISH NE2 parsed_1qn0 1
12 1 1 . . . . . . . . . 37 HEMC NC parsed_1qn0 1
12 1 2 . . . . . . . . . 38 HISH NE2 parsed_1qn0 1
13 1 1 . . . . . . . . . 37 HEMC ND parsed_1qn0 1
13 1 2 . . . . . . . . . 38 HISH NE2 parsed_1qn0 1
14 1 1 . . . . . . . . . 37 HEMC QNC parsed_1qn0 1
14 1 2 . . . . . . . . . 37 HEMC NC parsed_1qn0 1
15 1 1 . . . . . . . . . 37 HEMC NA parsed_1qn0 1
15 1 2 . . . . . . . . . 38 HISH QFE parsed_1qn0 1
16 1 1 . . . . . . . . . 37 HEMC NB parsed_1qn0 1
16 1 2 . . . . . . . . . 38 HISH QFE parsed_1qn0 1
17 1 1 . . . . . . . . . 37 HEMC NC parsed_1qn0 1
17 1 2 . . . . . . . . . 38 HISH QFE parsed_1qn0 1
18 1 1 . . . . . . . . . 37 HEMC ND parsed_1qn0 1
18 1 2 . . . . . . . . . 38 HISH QFE parsed_1qn0 1
19 1 1 . . . . . . . . . 26 HISH QFE parsed_1qn0 1
19 1 2 . . . . . . . . . 38 HISH QFE parsed_1qn0 1
20 1 1 . . . . . . . . . 49 CYSH QCA parsed_1qn0 1
20 1 2 . . . . . . . . . 54 HEMC CAB parsed_1qn0 1
21 1 1 . . . . . . . . . 49 CYSH QCB parsed_1qn0 1
21 1 2 . . . . . . . . . 54 HEMC CBB parsed_1qn0 1
22 1 1 . . . . . . . . . 49 CYSH QC3 parsed_1qn0 1
22 1 2 . . . . . . . . . 54 HEMC C3B parsed_1qn0 1
23 1 1 . . . . . . . . . 54 HEMC QC1C parsed_1qn0 1
23 1 2 . . . . . . . . . 54 HEMC C1C parsed_1qn0 1
24 1 1 . . . . . . . . . 54 HEMC QC2C parsed_1qn0 1
24 1 2 . . . . . . . . . 54 HEMC C2C parsed_1qn0 1
25 1 1 . . . . . . . . . 54 HEMC NA parsed_1qn0 1
25 1 2 . . . . . . . . . 39 HISH NE2 parsed_1qn0 1
26 1 1 . . . . . . . . . 54 HEMC NB parsed_1qn0 1
26 1 2 . . . . . . . . . 39 HISH NE2 parsed_1qn0 1
27 1 1 . . . . . . . . . 54 HEMC NC parsed_1qn0 1
27 1 2 . . . . . . . . . 39 HISH NE2 parsed_1qn0 1
28 1 1 . . . . . . . . . 54 HEMC ND parsed_1qn0 1
28 1 2 . . . . . . . . . 39 HISH NE2 parsed_1qn0 1
29 1 1 . . . . . . . . . 54 HEMC NA parsed_1qn0 1
29 1 2 . . . . . . . . . 55 HISH NE2 parsed_1qn0 1
30 1 1 . . . . . . . . . 54 HEMC NB parsed_1qn0 1
30 1 2 . . . . . . . . . 55 HISH NE2 parsed_1qn0 1
31 1 1 . . . . . . . . . 54 HEMC NC parsed_1qn0 1
31 1 2 . . . . . . . . . 55 HISH NE2 parsed_1qn0 1
32 1 1 . . . . . . . . . 54 HEMC ND parsed_1qn0 1
32 1 2 . . . . . . . . . 55 HISH NE2 parsed_1qn0 1
33 1 1 . . . . . . . . . 54 HEMC QNC parsed_1qn0 1
33 1 2 . . . . . . . . . 54 HEMC NC parsed_1qn0 1
34 1 1 . . . . . . . . . 54 HEMC NA parsed_1qn0 1
34 1 2 . . . . . . . . . 55 HISH QFE parsed_1qn0 1
35 1 1 . . . . . . . . . 54 HEMC NB parsed_1qn0 1
35 1 2 . . . . . . . . . 55 HISH QFE parsed_1qn0 1
36 1 1 . . . . . . . . . 54 HEMC NC parsed_1qn0 1
36 1 2 . . . . . . . . . 55 HISH QFE parsed_1qn0 1
37 1 1 . . . . . . . . . 54 HEMC ND parsed_1qn0 1
37 1 2 . . . . . . . . . 55 HISH QFE parsed_1qn0 1
38 1 1 . . . . . . . . . 39 HISH QFE parsed_1qn0 1
38 1 2 . . . . . . . . . 55 HISH QFE parsed_1qn0 1
39 1 1 . . . . . . . . . 83 CYSH QCA parsed_1qn0 1
39 1 2 . . . . . . . . . 86 HEMC CAB parsed_1qn0 1
40 1 1 . . . . . . . . . 83 CYSH QCB parsed_1qn0 1
40 1 2 . . . . . . . . . 86 HEMC CBB parsed_1qn0 1
41 1 1 . . . . . . . . . 83 CYSH QC3 parsed_1qn0 1
41 1 2 . . . . . . . . . 86 HEMC C3B parsed_1qn0 1
42 1 1 . . . . . . . . . 86 HEMC QC1C parsed_1qn0 1
42 1 2 . . . . . . . . . 86 HEMC C1C parsed_1qn0 1
43 1 1 . . . . . . . . . 86 HEMC QC2C parsed_1qn0 1
43 1 2 . . . . . . . . . 86 HEMC C2C parsed_1qn0 1
44 1 1 . . . . . . . . . 86 HEMC NA parsed_1qn0 1
44 1 2 . . . . . . . . . 29 HISH NE2 parsed_1qn0 1
45 1 1 . . . . . . . . . 86 HEMC NB parsed_1qn0 1
45 1 2 . . . . . . . . . 29 HISH NE2 parsed_1qn0 1
46 1 1 . . . . . . . . . 86 HEMC NC parsed_1qn0 1
46 1 2 . . . . . . . . . 29 HISH NE2 parsed_1qn0 1
47 1 1 . . . . . . . . . 86 HEMC ND parsed_1qn0 1
47 1 2 . . . . . . . . . 29 HISH NE2 parsed_1qn0 1
48 1 1 . . . . . . . . . 86 HEMC NA parsed_1qn0 1
48 1 2 . . . . . . . . . 87 HISH NE2 parsed_1qn0 1
49 1 1 . . . . . . . . . 86 HEMC NB parsed_1qn0 1
49 1 2 . . . . . . . . . 87 HISH NE2 parsed_1qn0 1
50 1 1 . . . . . . . . . 86 HEMC NC parsed_1qn0 1
50 1 2 . . . . . . . . . 87 HISH NE2 parsed_1qn0 1
51 1 1 . . . . . . . . . 86 HEMC ND parsed_1qn0 1
51 1 2 . . . . . . . . . 87 HISH NE2 parsed_1qn0 1
52 1 1 . . . . . . . . . 86 HEMC QNC parsed_1qn0 1
52 1 2 . . . . . . . . . 86 HEMC NC parsed_1qn0 1
53 1 1 . . . . . . . . . 86 HEMC NA parsed_1qn0 1
53 1 2 . . . . . . . . . 87 HISH QFE parsed_1qn0 1
54 1 1 . . . . . . . . . 86 HEMC NB parsed_1qn0 1
54 1 2 . . . . . . . . . 87 HISH QFE parsed_1qn0 1
55 1 1 . . . . . . . . . 86 HEMC NC parsed_1qn0 1
55 1 2 . . . . . . . . . 87 HISH QFE parsed_1qn0 1
56 1 1 . . . . . . . . . 86 HEMC ND parsed_1qn0 1
56 1 2 . . . . . . . . . 87 HISH QFE parsed_1qn0 1
57 1 1 . . . . . . . . . 29 HISH QFE parsed_1qn0 1
57 1 2 . . . . . . . . . 87 HISH QFE parsed_1qn0 1
58 1 1 . . . . . . . . . 104 CYSH QCA parsed_1qn0 1
58 1 2 . . . . . . . . . 109 HEMC CAB parsed_1qn0 1
59 1 1 . . . . . . . . . 104 CYSH QCB parsed_1qn0 1
59 1 2 . . . . . . . . . 109 HEMC CBB parsed_1qn0 1
60 1 1 . . . . . . . . . 104 CYSH QC3 parsed_1qn0 1
60 1 2 . . . . . . . . . 109 HEMC C3B parsed_1qn0 1
61 1 1 . . . . . . . . . 109 HEMC QC1C parsed_1qn0 1
61 1 2 . . . . . . . . . 109 HEMC C1C parsed_1qn0 1
62 1 1 . . . . . . . . . 109 HEMC QC2C parsed_1qn0 1
62 1 2 . . . . . . . . . 109 HEMC C2C parsed_1qn0 1
63 1 1 . . . . . . . . . 109 HEMC NA parsed_1qn0 1
63 1 2 . . . . . . . . . 73 HISH NE2 parsed_1qn0 1
64 1 1 . . . . . . . . . 109 HEMC NB parsed_1qn0 1
64 1 2 . . . . . . . . . 73 HISH NE2 parsed_1qn0 1
65 1 1 . . . . . . . . . 109 HEMC NC parsed_1qn0 1
65 1 2 . . . . . . . . . 73 HISH NE2 parsed_1qn0 1
66 1 1 . . . . . . . . . 109 HEMC ND parsed_1qn0 1
66 1 2 . . . . . . . . . 73 HISH NE2 parsed_1qn0 1
67 1 1 . . . . . . . . . 109 HEMC NA parsed_1qn0 1
67 1 2 . . . . . . . . . 110 HISH NE2 parsed_1qn0 1
68 1 1 . . . . . . . . . 109 HEMC NB parsed_1qn0 1
68 1 2 . . . . . . . . . 110 HISH NE2 parsed_1qn0 1
69 1 1 . . . . . . . . . 109 HEMC NC parsed_1qn0 1
69 1 2 . . . . . . . . . 110 HISH NE2 parsed_1qn0 1
70 1 1 . . . . . . . . . 109 HEMC ND parsed_1qn0 1
70 1 2 . . . . . . . . . 110 HISH NE2 parsed_1qn0 1
71 1 1 . . . . . . . . . 109 HEMC QNC parsed_1qn0 1
71 1 2 . . . . . . . . . 109 HEMC NC parsed_1qn0 1
72 1 1 . . . . . . . . . 109 HEMC NA parsed_1qn0 1
72 1 2 . . . . . . . . . 110 HISH QFE parsed_1qn0 1
73 1 1 . . . . . . . . . 109 HEMC NB parsed_1qn0 1
73 1 2 . . . . . . . . . 110 HISH QFE parsed_1qn0 1
74 1 1 . . . . . . . . . 109 HEMC NC parsed_1qn0 1
74 1 2 . . . . . . . . . 110 HISH QFE parsed_1qn0 1
75 1 1 . . . . . . . . . 109 HEMC ND parsed_1qn0 1
75 1 2 . . . . . . . . . 110 HISH QFE parsed_1qn0 1
76 1 1 . . . . . . . . . 73 HISH QFE parsed_1qn0 1
76 1 2 . . . . . . . . . 110 HISH QFE parsed_1qn0 1
77 1 1 . . . . . . . . . 4 FPR CG parsed_1qn0 1
77 1 2 . . . . . . . . . 4 FPR QCG parsed_1qn0 1
78 1 1 . . . . . . . . . 4 FPR CD parsed_1qn0 1
78 1 2 . . . . . . . . . 4 FPR QCD parsed_1qn0 1
79 1 1 . . . . . . . . . 41 FPR CG parsed_1qn0 1
79 1 2 . . . . . . . . . 41 FPR QCG parsed_1qn0 1
80 1 1 . . . . . . . . . 41 FPR CD parsed_1qn0 1
80 1 2 . . . . . . . . . 41 FPR QCD parsed_1qn0 1
81 1 1 . . . . . . . . . 111 FPR CG parsed_1qn0 1
81 1 2 . . . . . . . . . 111 FPR QCG parsed_1qn0 1
82 1 1 . . . . . . . . . 111 FPR CD parsed_1qn0 1
82 1 2 . . . . . . . . . 111 FPR QCD parsed_1qn0 1
83 1 1 . . . . . . . . . 81 FPR CG parsed_1qn0 1
83 1 2 . . . . . . . . . 81 FPR QCG parsed_1qn0 1
84 1 1 . . . . . . . . . 81 FPR CD parsed_1qn0 1
84 1 2 . . . . . . . . . 81 FPR QCD parsed_1qn0 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 . . . . . . . 0.10 parsed_1qn0 1
2 1 . . . . . . . 0.10 parsed_1qn0 1
3 1 . . . . . . . 0.10 parsed_1qn0 1
4 1 . . . . . . . 0.10 parsed_1qn0 1
5 1 . . . . . . . 0.10 parsed_1qn0 1
6 1 . . . . . . . 2.80 parsed_1qn0 1
7 1 . . . . . . . 2.80 parsed_1qn0 1
8 1 . . . . . . . 2.80 parsed_1qn0 1
9 1 . . . . . . . 2.80 parsed_1qn0 1
10 1 . . . . . . . 2.80 parsed_1qn0 1
11 1 . . . . . . . 2.80 parsed_1qn0 1
12 1 . . . . . . . 2.80 parsed_1qn0 1
13 1 . . . . . . . 2.80 parsed_1qn0 1
14 1 . . . . . . . 0.10 parsed_1qn0 1
15 1 . . . . . . . 2.10 parsed_1qn0 1
16 1 . . . . . . . 2.10 parsed_1qn0 1
17 1 . . . . . . . 2.10 parsed_1qn0 1
18 1 . . . . . . . 2.10 parsed_1qn0 1
19 1 . . . . . . . 0.10 parsed_1qn0 1
20 1 . . . . . . . 0.10 parsed_1qn0 1
21 1 . . . . . . . 0.10 parsed_1qn0 1
22 1 . . . . . . . 0.10 parsed_1qn0 1
23 1 . . . . . . . 0.10 parsed_1qn0 1
24 1 . . . . . . . 0.10 parsed_1qn0 1
25 1 . . . . . . . 2.80 parsed_1qn0 1
26 1 . . . . . . . 2.80 parsed_1qn0 1
27 1 . . . . . . . 2.80 parsed_1qn0 1
28 1 . . . . . . . 2.80 parsed_1qn0 1
29 1 . . . . . . . 2.80 parsed_1qn0 1
30 1 . . . . . . . 2.80 parsed_1qn0 1
31 1 . . . . . . . 2.80 parsed_1qn0 1
32 1 . . . . . . . 2.80 parsed_1qn0 1
33 1 . . . . . . . 0.10 parsed_1qn0 1
34 1 . . . . . . . 2.10 parsed_1qn0 1
35 1 . . . . . . . 2.10 parsed_1qn0 1
36 1 . . . . . . . 2.10 parsed_1qn0 1
37 1 . . . . . . . 2.10 parsed_1qn0 1
38 1 . . . . . . . 0.10 parsed_1qn0 1
39 1 . . . . . . . 0.10 parsed_1qn0 1
40 1 . . . . . . . 0.10 parsed_1qn0 1
41 1 . . . . . . . 0.10 parsed_1qn0 1
42 1 . . . . . . . 0.10 parsed_1qn0 1
43 1 . . . . . . . 0.10 parsed_1qn0 1
44 1 . . . . . . . 2.80 parsed_1qn0 1
45 1 . . . . . . . 2.80 parsed_1qn0 1
46 1 . . . . . . . 2.80 parsed_1qn0 1
47 1 . . . . . . . 2.80 parsed_1qn0 1
48 1 . . . . . . . 2.80 parsed_1qn0 1
49 1 . . . . . . . 2.80 parsed_1qn0 1
50 1 . . . . . . . 2.80 parsed_1qn0 1
51 1 . . . . . . . 2.80 parsed_1qn0 1
52 1 . . . . . . . 0.10 parsed_1qn0 1
53 1 . . . . . . . 2.10 parsed_1qn0 1
54 1 . . . . . . . 2.10 parsed_1qn0 1
55 1 . . . . . . . 2.10 parsed_1qn0 1
56 1 . . . . . . . 2.10 parsed_1qn0 1
57 1 . . . . . . . 0.10 parsed_1qn0 1
58 1 . . . . . . . 0.10 parsed_1qn0 1
59 1 . . . . . . . 0.10 parsed_1qn0 1
60 1 . . . . . . . 0.10 parsed_1qn0 1
61 1 . . . . . . . 0.10 parsed_1qn0 1
62 1 . . . . . . . 0.10 parsed_1qn0 1
63 1 . . . . . . . 2.80 parsed_1qn0 1
64 1 . . . . . . . 2.80 parsed_1qn0 1
65 1 . . . . . . . 2.80 parsed_1qn0 1
66 1 . . . . . . . 2.80 parsed_1qn0 1
67 1 . . . . . . . 2.80 parsed_1qn0 1
68 1 . . . . . . . 2.80 parsed_1qn0 1
69 1 . . . . . . . 2.80 parsed_1qn0 1
70 1 . . . . . . . 2.80 parsed_1qn0 1
71 1 . . . . . . . 0.10 parsed_1qn0 1
72 1 . . . . . . . 2.10 parsed_1qn0 1
73 1 . . . . . . . 2.10 parsed_1qn0 1
74 1 . . . . . . . 2.10 parsed_1qn0 1
75 1 . . . . . . . 2.10 parsed_1qn0 1
76 1 . . . . . . . 0.10 parsed_1qn0 1
77 1 . . . . . . . 0.10 parsed_1qn0 1
78 1 . . . . . . . 0.10 parsed_1qn0 1
79 1 . . . . . . . 0.10 parsed_1qn0 1
80 1 . . . . . . . 0.10 parsed_1qn0 1
81 1 . . . . . . . 0.10 parsed_1qn0 1
82 1 . . . . . . . 0.10 parsed_1qn0 1
83 1 . . . . . . . 0.10 parsed_1qn0 1
84 1 . . . . . . . 0.10 parsed_1qn0 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 "Fixed upper limits" 1 1 1 19 parsed_1qn0 1
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1qn0
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -55.0 . . 3 VAL . . . . . . . . . . . . . parsed_1qn0 1
2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 315.0 . . 5 ALA . . . . . . . . . . . . . parsed_1qn0 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.0 305.0 . . 8 ALA . . . . . . . . . . . . . parsed_1qn0 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . . 10 ILE . . . . . . . . . . . . . parsed_1qn0 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -75.0 . . 11 ASP- . . . . . . . . . . . . . parsed_1qn0 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -65.0 . . 12 PHEF . . . . . . . . . . . . . parsed_1qn0 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -75.0 . . 13 ILE . . . . . . . . . . . . . parsed_1qn0 1
8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . . 18 LYS+ . . . . . . . . . . . . . parsed_1qn0 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . . 20 LEU . . . . . . . . . . . . . parsed_1qn0 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.0 285.0 . . 21 THR . . . . . . . . . . . . . parsed_1qn0 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 285.0 . . 26 HISH . . . . . . . . . . . . . parsed_1qn0 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 305.0 . . 27 SER . . . . . . . . . . . . . parsed_1qn0 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -75.0 . . 28 THR . . . . . . . . . . . . . parsed_1qn0 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . . 29 HISH . . . . . . . . . . . . . parsed_1qn0 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 305.0 . . 30 LYS+ . . . . . . . . . . . . . parsed_1qn0 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -65.0 . . 31 ASP- . . . . . . . . . . . . . parsed_1qn0 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . . 32 VAL . . . . . . . . . . . . . parsed_1qn0 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 315.0 . . 33 LYS+ . . . . . . . . . . . . . parsed_1qn0 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -55.0 . . 35 ASP- . . . . . . . . . . . . . parsed_1qn0 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -65.0 . . 36 ASP- . . . . . . . . . . . . . parsed_1qn0 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . . 37 HEMC . . . . . . . . . . . . . parsed_1qn0 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . . 40 GLN . . . . . . . . . . . . . parsed_1qn0 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 44 LYS+ . . . . . . . . . . . . . parsed_1qn0 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 46 TYRF . . . . . . . . . . . . . parsed_1qn0 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 305.0 . . 47 ALA . . . . . . . . . . . . . parsed_1qn0 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -55.0 . . 51 THR . . . . . . . . . . . . . parsed_1qn0 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 315.0 . . 52 ASP- . . . . . . . . . . . . . parsed_1qn0 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 285.0 . . 54 HEMC . . . . . . . . . . . . . parsed_1qn0 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . . 55 HISH . . . . . . . . . . . . . parsed_1qn0 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 295.0 . . 56 ASN . . . . . . . . . . . . . parsed_1qn0 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 45.0 . . 57 ILE . . . . . . . . . . . . . parsed_1qn0 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -65.0 . . 59 ASP- . . . . . . . . . . . . . parsed_1qn0 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 295.0 . . 61 ALA . . . . . . . . . . . . . parsed_1qn0 1
34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -65.0 . . 62 ASP- . . . . . . . . . . . . . parsed_1qn0 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -65.0 . . 64 SER . . . . . . . . . . . . . parsed_1qn0 1
36 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -55.0 . . 65 VAL . . . . . . . . . . . . . parsed_1qn0 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 305.0 . . 67 SER . . . . . . . . . . . . . parsed_1qn0 1
38 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 70 LYS+ . . . . . . . . . . . . . parsed_1qn0 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -65.0 . . 71 VAL . . . . . . . . . . . . . parsed_1qn0 1
40 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -65.0 . . 72 VAL . . . . . . . . . . . . . parsed_1qn0 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 73 HISH . . . . . . . . . . . . . parsed_1qn0 1
42 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 305.0 . . 74 ASP- . . . . . . . . . . . . . parsed_1qn0 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 305.0 . . 75 ALA . . . . . . . . . . . . . parsed_1qn0 1
44 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 55.0 . . 76 LYS+ . . . . . . . . . . . . . parsed_1qn0 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 305.0 . . 80 LYS+ . . . . . . . . . . . . . parsed_1qn0 1
46 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . . 82 THR . . . . . . . . . . . . . parsed_1qn0 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -65.0 . . 84 ILE . . . . . . . . . . . . . parsed_1qn0 1
48 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 305.0 . . 85 SER . . . . . . . . . . . . . parsed_1qn0 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 305.0 . . 86 HEMC . . . . . . . . . . . . . parsed_1qn0 1
50 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -45.0 . . 87 HISH . . . . . . . . . . . . . parsed_1qn0 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 315.0 . . 88 LYS+ . . . . . . . . . . . . . parsed_1qn0 1
52 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . . 89 ASP- . . . . . . . . . . . . . parsed_1qn0 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 305.0 . . 90 LYS+ . . . . . . . . . . . . . parsed_1qn0 1
54 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 315.0 . . 91 ALA . . . . . . . . . . . . . parsed_1qn0 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -55.0 . . 94 ASP- . . . . . . . . . . . . . parsed_1qn0 1
56 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 295.0 . . 96 GLU- . . . . . . . . . . . . . parsed_1qn0 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -65.0 . . 97 LEU . . . . . . . . . . . . . parsed_1qn0 1
58 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 98 LYS+ . . . . . . . . . . . . . parsed_1qn0 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 305.0 . . 99 LYS+ . . . . . . . . . . . . . parsed_1qn0 1
60 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . . 101 LEU . . . . . . . . . . . . . parsed_1qn0 1
61 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 102 THR . . . . . . . . . . . . . parsed_1qn0 1
62 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -65.0 . . 105 LYS+ . . . . . . . . . . . . . parsed_1qn0 1
63 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . . 107 SER . . . . . . . . . . . . . parsed_1qn0 1
64 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 305.0 . . 108 ALA . . . . . . . . . . . . . parsed_1qn0 1
65 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -55.0 . . 109 HEMC . . . . . . . . . . . . . parsed_1qn0 1
66 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 110 HISH . . . . . . . . . . . . . parsed_1qn0 1
67 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -65.0 . . 112 SER . . . . . . . . . . . . . parsed_1qn0 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 "PHI torsion angle restraints" 1 1 1 29 parsed_1qn0 1
stop_
save_
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