NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
627583 |
6cgx   |
30412 | cing | 2-parsed | STAR | entry | full | 90 |
data_6cgx_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6cgx
_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_6cgx 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6cgx
_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 6cgx "Master copy" parsed_6cgx
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6cgx
_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 6cgx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6cgx 1
1 6cgx.mr . . DYANA/DIANA 2 distance NOE simple 78 parsed_6cgx 1
1 6cgx.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6cgx 1
1 6cgx.mr . . DYANA/DIANA 4 distance "general distance" simple 12 parsed_6cgx 1
1 6cgx.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6cgx 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_6cgx
_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 TOXIN 21-FEB-18 6CGX
*TITLE BACKBONE CYCLISED CONOTOXIN VC1.1 MUTANT - D11A, E14A
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ALPHA-CONOTOXIN VC1A;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: UNP RESIDUES 50-66;
*COMPND 5 SYNONYM: ALPHA-VC1A, VC1.1;
*COMPND 6 ENGINEERED: YES;
*COMPND 7 MUTATION: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: CONUS VICTORIAE;
*SOURCE 4 ORGANISM_COMMON: QUEEN VICTORIA CONE;
*SOURCE 5 ORGANISM_TAXID: 319920
*KEYWDS STRUCTURE FROM MOLMOL, TOXIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR R.J.CLARK
*REVDAT 1 23-MAY-18 6CGX 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6cgx
_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_6cgx 1
2 1 . . . parsed_6cgx 1
3 1 . . . parsed_6cgx 1
4 1 . . . parsed_6cgx 1
5 1 . . . parsed_6cgx 1
6 1 . . . parsed_6cgx 1
7 1 . . . parsed_6cgx 1
8 1 . . . parsed_6cgx 1
9 1 . . . parsed_6cgx 1
10 1 . . . parsed_6cgx 1
11 1 . . . parsed_6cgx 1
12 1 . . . parsed_6cgx 1
13 1 . . . parsed_6cgx 1
14 1 . . . parsed_6cgx 1
15 1 . . . parsed_6cgx 1
16 1 . . . parsed_6cgx 1
17 1 . . . parsed_6cgx 1
18 1 . . . parsed_6cgx 1
19 1 . . . parsed_6cgx 1
20 1 . . . parsed_6cgx 1
21 1 . . . parsed_6cgx 1
22 1 . . . parsed_6cgx 1
23 1 . . . parsed_6cgx 1
24 1 . . . parsed_6cgx 1
25 1 . . . parsed_6cgx 1
26 1 . . . parsed_6cgx 1
27 1 . . . parsed_6cgx 1
28 1 . . . parsed_6cgx 1
29 1 . . . parsed_6cgx 1
30 1 . . . parsed_6cgx 1
31 1 . . . parsed_6cgx 1
32 1 . . . parsed_6cgx 1
33 1 . . . parsed_6cgx 1
34 1 . . . parsed_6cgx 1
35 1 . . . parsed_6cgx 1
36 1 . . . parsed_6cgx 1
37 1 . . . parsed_6cgx 1
38 1 . . . parsed_6cgx 1
39 1 . . . parsed_6cgx 1
40 1 . . . parsed_6cgx 1
41 1 . . . parsed_6cgx 1
42 1 . . . parsed_6cgx 1
43 1 . . . parsed_6cgx 1
44 1 . . . parsed_6cgx 1
45 1 . . . parsed_6cgx 1
46 1 . . . parsed_6cgx 1
47 1 . . . parsed_6cgx 1
48 1 . . . parsed_6cgx 1
49 1 . . . parsed_6cgx 1
50 1 . . . parsed_6cgx 1
51 1 . . . parsed_6cgx 1
52 1 . . . parsed_6cgx 1
53 1 . . . parsed_6cgx 1
54 1 . . . parsed_6cgx 1
55 1 . . . parsed_6cgx 1
56 1 . . . parsed_6cgx 1
57 1 . . . parsed_6cgx 1
58 1 . . . parsed_6cgx 1
59 1 . . . parsed_6cgx 1
60 1 . . . parsed_6cgx 1
61 1 . . . parsed_6cgx 1
62 1 . . . parsed_6cgx 1
63 1 . . . parsed_6cgx 1
64 1 . . . parsed_6cgx 1
65 1 . . . parsed_6cgx 1
66 1 . . . parsed_6cgx 1
67 1 . . . parsed_6cgx 1
68 1 . . . parsed_6cgx 1
69 1 . . . parsed_6cgx 1
70 1 . . . parsed_6cgx 1
71 1 . . . parsed_6cgx 1
72 1 . . . parsed_6cgx 1
73 1 . . . parsed_6cgx 1
74 1 . . . parsed_6cgx 1
75 1 . . . parsed_6cgx 1
76 1 . . . parsed_6cgx 1
77 1 . . . parsed_6cgx 1
78 1 . . . parsed_6cgx 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 . . . . . . . . . 5 ASP H parsed_6cgx 1
1 1 2 . . . . . . . . . 5 ASP HB3 parsed_6cgx 1
2 1 1 . . . . . . . . . 5 ASP H parsed_6cgx 1
2 1 2 . . . . . . . . . 5 ASP HB2 parsed_6cgx 1
3 1 1 . . . . . . . . . 14 ALA H parsed_6cgx 1
3 1 2 . . . . . . . . . 14 ALA QB parsed_6cgx 1
4 1 1 . . . . . . . . . 4 SER H parsed_6cgx 1
4 1 2 . . . . . . . . . 4 SER QB parsed_6cgx 1
5 1 1 . . . . . . . . . 2 CYSS H parsed_6cgx 1
5 1 2 . . . . . . . . . 2 CYSS HB2 parsed_6cgx 1
6 1 1 . . . . . . . . . 2 CYSS H parsed_6cgx 1
6 1 2 . . . . . . . . . 2 CYSS HB3 parsed_6cgx 1
7 1 1 . . . . . . . . . 11 ALA H parsed_6cgx 1
7 1 2 . . . . . . . . . 11 ALA QB parsed_6cgx 1
8 1 1 . . . . . . . . . 10 TYR H parsed_6cgx 1
8 1 2 . . . . . . . . . 10 TYR HB3 parsed_6cgx 1
9 1 1 . . . . . . . . . 10 TYR H parsed_6cgx 1
9 1 2 . . . . . . . . . 10 TYR HB2 parsed_6cgx 1
10 1 1 . . . . . . . . . 20 ALA H parsed_6cgx 1
10 1 2 . . . . . . . . . 20 ALA QB parsed_6cgx 1
11 1 1 . . . . . . . . . 19 ALA H parsed_6cgx 1
11 1 2 . . . . . . . . . 19 ALA QB parsed_6cgx 1
12 1 1 . . . . . . . . . 9 ASN H parsed_6cgx 1
12 1 2 . . . . . . . . . 9 ASN QB parsed_6cgx 1
13 1 1 . . . . . . . . . 9 ASN QB parsed_6cgx 1
13 1 2 . . . . . . . . . 10 TYR H parsed_6cgx 1
14 1 1 . . . . . . . . . 2 CYSS HB2 parsed_6cgx 1
14 1 2 . . . . . . . . . 3 CYSS H parsed_6cgx 1
15 1 1 . . . . . . . . . 2 CYSS HB3 parsed_6cgx 1
15 1 2 . . . . . . . . . 3 CYSS H parsed_6cgx 1
16 1 1 . . . . . . . . . 15 ILE H parsed_6cgx 1
16 1 2 . . . . . . . . . 15 ILE QD1 parsed_6cgx 1
17 1 1 . . . . . . . . . 15 ILE H parsed_6cgx 1
17 1 2 . . . . . . . . . 15 ILE HG12 parsed_6cgx 1
18 1 1 . . . . . . . . . 15 ILE H parsed_6cgx 1
18 1 2 . . . . . . . . . 15 ILE HB parsed_6cgx 1
19 1 1 . . . . . . . . . 15 ILE H parsed_6cgx 1
19 1 2 . . . . . . . . . 15 ILE HG13 parsed_6cgx 1
20 1 1 . . . . . . . . . 8 CYSS HA parsed_6cgx 1
20 1 2 . . . . . . . . . 12 HIS HD2 parsed_6cgx 1
21 1 1 . . . . . . . . . 9 ASN QB parsed_6cgx 1
21 1 2 . . . . . . . . . 9 ASN HD22 parsed_6cgx 1
22 1 1 . . . . . . . . . 9 ASN QB parsed_6cgx 1
22 1 2 . . . . . . . . . 9 ASN HD21 parsed_6cgx 1
23 1 1 . . . . . . . . . 10 TYR HA parsed_6cgx 1
23 1 2 . . . . . . . . . 10 TYR QD parsed_6cgx 1
24 1 1 . . . . . . . . . 9 ASN H parsed_6cgx 1
24 1 2 . . . . . . . . . 10 TYR H parsed_6cgx 1
25 1 1 . . . . . . . . . 8 CYSS H parsed_6cgx 1
25 1 2 . . . . . . . . . 9 ASN H parsed_6cgx 1
26 1 1 . . . . . . . . . 2 CYSS H parsed_6cgx 1
26 1 2 . . . . . . . . . 3 CYSS H parsed_6cgx 1
27 1 1 . . . . . . . . . 18 GLY H parsed_6cgx 1
27 1 2 . . . . . . . . . 19 ALA H parsed_6cgx 1
28 1 1 . . . . . . . . . 14 ALA H parsed_6cgx 1
28 1 2 . . . . . . . . . 15 ILE H parsed_6cgx 1
29 1 1 . . . . . . . . . 16 CYSS H parsed_6cgx 1
29 1 2 . . . . . . . . . 17 GLY H parsed_6cgx 1
30 1 1 . . . . . . . . . 3 CYSS H parsed_6cgx 1
30 1 2 . . . . . . . . . 4 SER H parsed_6cgx 1
31 1 1 . . . . . . . . . 15 ILE H parsed_6cgx 1
31 1 2 . . . . . . . . . 16 CYSS H parsed_6cgx 1
32 1 1 . . . . . . . . . 11 ALA H parsed_6cgx 1
32 1 2 . . . . . . . . . 12 HIS H parsed_6cgx 1
33 1 1 . . . . . . . . . 10 TYR H parsed_6cgx 1
33 1 2 . . . . . . . . . 11 ALA H parsed_6cgx 1
34 1 1 . . . . . . . . . 5 ASP HA parsed_6cgx 1
34 1 2 . . . . . . . . . 6 PRO HD3 parsed_6cgx 1
35 1 1 . . . . . . . . . 5 ASP HA parsed_6cgx 1
35 1 2 . . . . . . . . . 6 PRO HD2 parsed_6cgx 1
36 1 1 . . . . . . . . . 12 HIS H parsed_6cgx 1
36 1 2 . . . . . . . . . 13 PRO HD3 parsed_6cgx 1
37 1 1 . . . . . . . . . 12 HIS H parsed_6cgx 1
37 1 2 . . . . . . . . . 13 PRO HD2 parsed_6cgx 1
38 1 1 . . . . . . . . . 16 CYSS HB2 parsed_6cgx 1
38 1 2 . . . . . . . . . 17 GLY H parsed_6cgx 1
39 1 1 . . . . . . . . . 16 CYSS HB3 parsed_6cgx 1
39 1 2 . . . . . . . . . 17 GLY H parsed_6cgx 1
40 1 1 . . . . . . . . . 12 HIS HA parsed_6cgx 1
40 1 2 . . . . . . . . . 14 ALA H parsed_6cgx 1
41 1 1 . . . . . . . . . 8 CYSS HA parsed_6cgx 1
41 1 2 . . . . . . . . . 11 ALA H parsed_6cgx 1
42 1 1 . . . . . . . . . 6 PRO HD2 parsed_6cgx 1
42 1 2 . . . . . . . . . 7 ARG H parsed_6cgx 1
43 1 1 . . . . . . . . . 6 PRO HD3 parsed_6cgx 1
43 1 2 . . . . . . . . . 7 ARG H parsed_6cgx 1
44 1 1 . . . . . . . . . 4 SER QB parsed_6cgx 1
44 1 2 . . . . . . . . . 5 ASP H parsed_6cgx 1
45 1 1 . . . . . . . . . 8 CYSS HA parsed_6cgx 1
45 1 2 . . . . . . . . . 12 HIS HD1 parsed_6cgx 1
46 1 1 . . . . . . . . . 8 CYSS HB3 parsed_6cgx 1
46 1 2 . . . . . . . . . 12 HIS HD1 parsed_6cgx 1
47 1 1 . . . . . . . . . 8 CYSS HB2 parsed_6cgx 1
47 1 2 . . . . . . . . . 12 HIS HD1 parsed_6cgx 1
48 1 1 . . . . . . . . . 11 ALA QB parsed_6cgx 1
48 1 2 . . . . . . . . . 12 HIS HD1 parsed_6cgx 1
49 1 1 . . . . . . . . . 1 GLY H parsed_6cgx 1
49 1 2 . . . . . . . . . 22 GLY H parsed_6cgx 1
50 1 1 . . . . . . . . . 1 GLY H parsed_6cgx 1
50 1 2 . . . . . . . . . 2 CYSS H parsed_6cgx 1
51 1 1 . . . . . . . . . 2 CYSS HA parsed_6cgx 1
51 1 2 . . . . . . . . . 4 SER H parsed_6cgx 1
52 1 1 . . . . . . . . . 5 ASP HA parsed_6cgx 1
52 1 2 . . . . . . . . . 7 ARG H parsed_6cgx 1
53 1 1 . . . . . . . . . 7 ARG H parsed_6cgx 1
53 1 2 . . . . . . . . . 9 ASN H parsed_6cgx 1
54 1 1 . . . . . . . . . 7 ARG H parsed_6cgx 1
54 1 2 . . . . . . . . . 8 CYSS H parsed_6cgx 1
55 1 1 . . . . . . . . . 8 CYSS H parsed_6cgx 1
55 1 2 . . . . . . . . . 9 ASN QB parsed_6cgx 1
56 1 1 . . . . . . . . . 13 PRO QG parsed_6cgx 1
56 1 2 . . . . . . . . . 14 ALA H parsed_6cgx 1
57 1 1 . . . . . . . . . 1 GLY H parsed_6cgx 1
57 1 2 . . . . . . . . . 22 GLY QA parsed_6cgx 1
58 1 1 . . . . . . . . . 2 CYSS QB parsed_6cgx 1
58 1 2 . . . . . . . . . 3 CYSS H parsed_6cgx 1
59 1 1 . . . . . . . . . 2 CYSS QB parsed_6cgx 1
59 1 2 . . . . . . . . . 4 SER H parsed_6cgx 1
60 1 1 . . . . . . . . . 3 CYSS H parsed_6cgx 1
60 1 2 . . . . . . . . . 3 CYSS QB parsed_6cgx 1
61 1 1 . . . . . . . . . 5 ASP H parsed_6cgx 1
61 1 2 . . . . . . . . . 5 ASP QB parsed_6cgx 1
62 1 1 . . . . . . . . . 5 ASP HA parsed_6cgx 1
62 1 2 . . . . . . . . . 6 PRO QD parsed_6cgx 1
63 1 1 . . . . . . . . . 5 ASP QB parsed_6cgx 1
63 1 2 . . . . . . . . . 8 CYSS H parsed_6cgx 1
64 1 1 . . . . . . . . . 6 PRO QD parsed_6cgx 1
64 1 2 . . . . . . . . . 7 ARG H parsed_6cgx 1
65 1 1 . . . . . . . . . 7 ARG H parsed_6cgx 1
65 1 2 . . . . . . . . . 7 ARG QG parsed_6cgx 1
66 1 1 . . . . . . . . . 7 ARG HE parsed_6cgx 1
66 1 2 . . . . . . . . . 10 TYR QB parsed_6cgx 1
67 1 1 . . . . . . . . . 8 CYSS H parsed_6cgx 1
67 1 2 . . . . . . . . . 8 CYSS QB parsed_6cgx 1
68 1 1 . . . . . . . . . 8 CYSS QB parsed_6cgx 1
68 1 2 . . . . . . . . . 9 ASN H parsed_6cgx 1
69 1 1 . . . . . . . . . 9 ASN HA parsed_6cgx 1
69 1 2 . . . . . . . . . 9 ASN QD2 parsed_6cgx 1
70 1 1 . . . . . . . . . 9 ASN QD2 parsed_6cgx 1
70 1 2 . . . . . . . . . 16 CYSS QB parsed_6cgx 1
71 1 1 . . . . . . . . . 10 TYR H parsed_6cgx 1
71 1 2 . . . . . . . . . 10 TYR QB parsed_6cgx 1
72 1 1 . . . . . . . . . 12 HIS H parsed_6cgx 1
72 1 2 . . . . . . . . . 13 PRO QD parsed_6cgx 1
73 1 1 . . . . . . . . . 12 HIS HA parsed_6cgx 1
73 1 2 . . . . . . . . . 13 PRO QD parsed_6cgx 1
74 1 1 . . . . . . . . . 12 HIS QB parsed_6cgx 1
74 1 2 . . . . . . . . . 12 HIS HD2 parsed_6cgx 1
75 1 1 . . . . . . . . . 13 PRO QD parsed_6cgx 1
75 1 2 . . . . . . . . . 14 ALA H parsed_6cgx 1
76 1 1 . . . . . . . . . 15 ILE H parsed_6cgx 1
76 1 2 . . . . . . . . . 15 ILE QG1 parsed_6cgx 1
77 1 1 . . . . . . . . . 16 CYSS H parsed_6cgx 1
77 1 2 . . . . . . . . . 16 CYSS QB parsed_6cgx 1
78 1 1 . . . . . . . . . 16 CYSS QB parsed_6cgx 1
78 1 2 . . . . . . . . . 17 GLY H parsed_6cgx 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 . . . . . . . 4.14 parsed_6cgx 1
2 1 . . . . . . . 4.14 parsed_6cgx 1
3 1 . . . . . . . 3.43 parsed_6cgx 1
4 1 . . . . . . . 3.76 parsed_6cgx 1
5 1 . . . . . . . 3.75 parsed_6cgx 1
6 1 . . . . . . . 3.75 parsed_6cgx 1
7 1 . . . . . . . 3.82 parsed_6cgx 1
8 1 . . . . . . . 3.66 parsed_6cgx 1
9 1 . . . . . . . 3.66 parsed_6cgx 1
10 1 . . . . . . . 3.79 parsed_6cgx 1
11 1 . . . . . . . 3.77 parsed_6cgx 1
12 1 . . . . . . . 3.42 parsed_6cgx 1
13 1 . . . . . . . 3.54 parsed_6cgx 1
14 1 . . . . . . . 4.23 parsed_6cgx 1
15 1 . . . . . . . 4.23 parsed_6cgx 1
16 1 . . . . . . . 4.23 parsed_6cgx 1
17 1 . . . . . . . 4.48 parsed_6cgx 1
18 1 . . . . . . . 4.17 parsed_6cgx 1
19 1 . . . . . . . 4.48 parsed_6cgx 1
20 1 . . . . . . . 4.57 parsed_6cgx 1
21 1 . . . . . . . 4.07 parsed_6cgx 1
22 1 . . . . . . . 4.07 parsed_6cgx 1
23 1 . . . . . . . 4.00 parsed_6cgx 1
24 1 . . . . . . . 4.30 parsed_6cgx 1
25 1 . . . . . . . 3.83 parsed_6cgx 1
26 1 . . . . . . . 3.93 parsed_6cgx 1
27 1 . . . . . . . 4.46 parsed_6cgx 1
28 1 . . . . . . . 3.89 parsed_6cgx 1
29 1 . . . . . . . 4.24 parsed_6cgx 1
30 1 . . . . . . . 3.91 parsed_6cgx 1
31 1 . . . . . . . 3.95 parsed_6cgx 1
32 1 . . . . . . . 4.03 parsed_6cgx 1
33 1 . . . . . . . 4.12 parsed_6cgx 1
34 1 . . . . . . . 3.77 parsed_6cgx 1
35 1 . . . . . . . 3.77 parsed_6cgx 1
36 1 . . . . . . . 5.06 parsed_6cgx 1
37 1 . . . . . . . 5.06 parsed_6cgx 1
38 1 . . . . . . . 5.03 parsed_6cgx 1
39 1 . . . . . . . 5.03 parsed_6cgx 1
40 1 . . . . . . . 5.08 parsed_6cgx 1
41 1 . . . . . . . 5.22 parsed_6cgx 1
42 1 . . . . . . . 4.78 parsed_6cgx 1
43 1 . . . . . . . 4.78 parsed_6cgx 1
44 1 . . . . . . . 5.06 parsed_6cgx 1
45 1 . . . . . . . 4.84 parsed_6cgx 1
46 1 . . . . . . . 5.50 parsed_6cgx 1
47 1 . . . . . . . 5.50 parsed_6cgx 1
48 1 . . . . . . . 4.08 parsed_6cgx 1
49 1 . . . . . . . 5.15 parsed_6cgx 1
50 1 . . . . . . . 5.08 parsed_6cgx 1
51 1 . . . . . . . 5.49 parsed_6cgx 1
52 1 . . . . . . . 5.50 parsed_6cgx 1
53 1 . . . . . . . 5.23 parsed_6cgx 1
54 1 . . . . . . . 3.86 parsed_6cgx 1
55 1 . . . . . . . 5.11 parsed_6cgx 1
56 1 . . . . . . . 5.50 parsed_6cgx 1
57 1 . . . . . . . 3.79 parsed_6cgx 1
58 1 . . . . . . . 3.53 parsed_6cgx 1
59 1 . . . . . . . 5.34 parsed_6cgx 1
60 1 . . . . . . . 3.45 parsed_6cgx 1
61 1 . . . . . . . 3.44 parsed_6cgx 1
62 1 . . . . . . . 3.23 parsed_6cgx 1
63 1 . . . . . . . 4.34 parsed_6cgx 1
64 1 . . . . . . . 4.12 parsed_6cgx 1
65 1 . . . . . . . 3.99 parsed_6cgx 1
66 1 . . . . . . . 4.42 parsed_6cgx 1
67 1 . . . . . . . 3.48 parsed_6cgx 1
68 1 . . . . . . . 4.10 parsed_6cgx 1
69 1 . . . . . . . 4.65 parsed_6cgx 1
70 1 . . . . . . . 3.83 parsed_6cgx 1
71 1 . . . . . . . 3.10 parsed_6cgx 1
72 1 . . . . . . . 4.30 parsed_6cgx 1
73 1 . . . . . . . 3.52 parsed_6cgx 1
74 1 . . . . . . . 3.46 parsed_6cgx 1
75 1 . . . . . . . 4.29 parsed_6cgx 1
76 1 . . . . . . . 3.87 parsed_6cgx 1
77 1 . . . . . . . 3.64 parsed_6cgx 1
78 1 . . . . . . . 4.42 parsed_6cgx 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 "Restraints file 1: restraints.tbl" 1 1 1 35 parsed_6cgx 1
2 "Distance restraints" 2 1 2 20 parsed_6cgx 1
3 "peak 2" 4 49 4 55 parsed_6cgx 1
4 "peak 3" 5 49 5 55 parsed_6cgx 1
5 "peak 11" 6 49 6 56 parsed_6cgx 1
6 "peak 20" 7 49 7 56 parsed_6cgx 1
7 "peak 26" 8 49 8 56 parsed_6cgx 1
8 "peak 27" 9 49 9 56 parsed_6cgx 1
9 "peak 35" 10 49 10 56 parsed_6cgx 1
10 "peak 38" 11 49 11 56 parsed_6cgx 1
11 "peak 39" 12 49 12 56 parsed_6cgx 1
12 "peak 48" 13 49 13 56 parsed_6cgx 1
13 "peak 49" 14 49 14 56 parsed_6cgx 1
14 "peak 56" 15 49 15 56 parsed_6cgx 1
15 "peak 58" 16 49 16 56 parsed_6cgx 1
16 "peak 66" 17 49 17 56 parsed_6cgx 1
17 "peak 67" 18 49 18 56 parsed_6cgx 1
18 "peak 77" 19 49 19 56 parsed_6cgx 1
19 "peak 78" 20 49 20 56 parsed_6cgx 1
20 "peak 79" 21 49 21 56 parsed_6cgx 1
21 "peak 81" 22 49 22 56 parsed_6cgx 1
22 "peak 85" 23 49 23 56 parsed_6cgx 1
23 "peak 90" 24 49 24 56 parsed_6cgx 1
24 "peak 91" 25 49 25 56 parsed_6cgx 1
25 "peak 92" 26 49 26 56 parsed_6cgx 1
26 "peak 93" 27 49 27 56 parsed_6cgx 1
27 "peak 94" 28 49 28 56 parsed_6cgx 1
28 "peak 95" 29 49 29 56 parsed_6cgx 1
29 "peak 96" 30 49 30 56 parsed_6cgx 1
30 "peak 97" 31 49 31 56 parsed_6cgx 1
31 "peak 98" 32 49 32 56 parsed_6cgx 1
32 "peak 99" 33 49 33 56 parsed_6cgx 1
33 "peak 101" 34 49 34 57 parsed_6cgx 1
34 "peak 102" 35 49 35 57 parsed_6cgx 1
35 "peak 103" 36 49 36 57 parsed_6cgx 1
36 "peak 104" 37 49 37 57 parsed_6cgx 1
37 "peak 105" 38 49 38 57 parsed_6cgx 1
38 "peak 124" 39 49 39 57 parsed_6cgx 1
39 "peak 125" 40 49 40 57 parsed_6cgx 1
40 "peak 127" 41 49 41 57 parsed_6cgx 1
41 "peak 128" 42 49 42 57 parsed_6cgx 1
42 "peak 132" 43 49 43 57 parsed_6cgx 1
43 "peak 133" 44 49 44 57 parsed_6cgx 1
44 "peak 134" 45 49 45 57 parsed_6cgx 1
45 "peak 135" 46 49 46 57 parsed_6cgx 1
46 "peak 136" 47 49 47 57 parsed_6cgx 1
47 "peak 138" 48 49 48 57 parsed_6cgx 1
48 "peak 139" 49 49 49 57 parsed_6cgx 1
49 "peak 140" 50 49 50 57 parsed_6cgx 1
50 "peak 141" 51 49 51 57 parsed_6cgx 1
51 "peak 143" 52 49 52 57 parsed_6cgx 1
52 "peak 144" 53 49 53 57 parsed_6cgx 1
53 "peak 146" 54 49 54 57 parsed_6cgx 1
54 "peak 149" 55 49 55 57 parsed_6cgx 1
55 "peak 150" 56 49 56 57 parsed_6cgx 1
56 "peak 151" 57 49 57 57 parsed_6cgx 1
57 "peak 155" 58 49 58 57 parsed_6cgx 1
58 "peak 156" 59 49 59 57 parsed_6cgx 1
59 "peak 32" 60 49 60 56 parsed_6cgx 1
60 "peak 67" 61 49 61 56 parsed_6cgx 1
61 "peak 147" 62 49 62 57 parsed_6cgx 1
62 "peak 23" 63 49 63 56 parsed_6cgx 1
63 "peak 3" 64 49 64 55 parsed_6cgx 1
64 "peak 104" 65 49 65 57 parsed_6cgx 1
65 "peak 154" 66 49 66 57 parsed_6cgx 1
66 "peak 134" 67 49 67 57 parsed_6cgx 1
67 "peak 72" 68 49 68 56 parsed_6cgx 1
68 "peak 84" 69 49 69 56 parsed_6cgx 1
69 "peak 64" 70 49 70 56 parsed_6cgx 1
70 "peak 42" 71 49 71 56 parsed_6cgx 1
71 "peak 129" 72 49 72 57 parsed_6cgx 1
72 "peak 130" 73 49 73 57 parsed_6cgx 1
73 "peak 39" 74 49 74 56 parsed_6cgx 1
74 "peak 125" 75 49 75 57 parsed_6cgx 1
75 "peak 106" 76 49 76 57 parsed_6cgx 1
76 "peak 83" 77 49 77 56 parsed_6cgx 1
77 "peak 122" 78 49 78 57 parsed_6cgx 1
78 "peak 78" 79 49 79 56 parsed_6cgx 1
79 "peak 62" 80 49 80 56 parsed_6cgx 1
80 "peak 128" 81 49 81 57 parsed_6cgx 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6cgx
_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_6cgx 2
2 1 . . . parsed_6cgx 2
3 1 . . . parsed_6cgx 2
4 1 . . . parsed_6cgx 2
5 1 . . . parsed_6cgx 2
6 1 . . . parsed_6cgx 2
7 1 . . . parsed_6cgx 2
8 1 . . . parsed_6cgx 2
9 1 . . . parsed_6cgx 2
10 1 . . . parsed_6cgx 2
11 1 . . . parsed_6cgx 2
12 1 . . . parsed_6cgx 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 CYSS SG parsed_6cgx 2
1 1 2 . . . . . . . . . 8 CYSS SG parsed_6cgx 2
2 1 1 . . . . . . . . . 2 CYSS SG parsed_6cgx 2
2 1 2 . . . . . . . . . 8 CYSS CB parsed_6cgx 2
3 1 1 . . . . . . . . . 2 CYSS CB parsed_6cgx 2
3 1 2 . . . . . . . . . 8 CYSS SG parsed_6cgx 2
4 1 1 . . . . . . . . . 3 CYSS SG parsed_6cgx 2
4 1 2 . . . . . . . . . 16 CYSS SG parsed_6cgx 2
5 1 1 . . . . . . . . . 3 CYSS SG parsed_6cgx 2
5 1 2 . . . . . . . . . 16 CYSS CB parsed_6cgx 2
6 1 1 . . . . . . . . . 3 CYSS CB parsed_6cgx 2
6 1 2 . . . . . . . . . 16 CYSS SG parsed_6cgx 2
7 1 1 . . . . . . . . . 2 CYSS SG parsed_6cgx 2
7 1 2 . . . . . . . . . 8 CYSS SG parsed_6cgx 2
8 1 1 . . . . . . . . . 2 CYSS SG parsed_6cgx 2
8 1 2 . . . . . . . . . 8 CYSS CB parsed_6cgx 2
9 1 1 . . . . . . . . . 2 CYSS CB parsed_6cgx 2
9 1 2 . . . . . . . . . 8 CYSS SG parsed_6cgx 2
10 1 1 . . . . . . . . . 3 CYSS SG parsed_6cgx 2
10 1 2 . . . . . . . . . 16 CYSS SG parsed_6cgx 2
11 1 1 . . . . . . . . . 3 CYSS SG parsed_6cgx 2
11 1 2 . . . . . . . . . 16 CYSS CB parsed_6cgx 2
12 1 1 . . . . . . . . . 3 CYSS CB parsed_6cgx 2
12 1 2 . . . . . . . . . 16 CYSS SG parsed_6cgx 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 . . . . . . . 1.98 parsed_6cgx 2
2 1 . . . . . . . 2.90 parsed_6cgx 2
3 1 . . . . . . . 2.90 parsed_6cgx 2
4 1 . . . . . . . 1.98 parsed_6cgx 2
5 1 . . . . . . . 2.90 parsed_6cgx 2
6 1 . . . . . . . 2.90 parsed_6cgx 2
7 1 . . . . . . . 2.12 parsed_6cgx 2
8 1 . . . . . . . 3.50 parsed_6cgx 2
9 1 . . . . . . . 3.50 parsed_6cgx 2
10 1 . . . . . . . 2.12 parsed_6cgx 2
11 1 . . . . . . . 3.15 parsed_6cgx 2
12 1 . . . . . . . 3.50 parsed_6cgx 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 "DISULFIDE RESTRAINTS" 1 1 1 22 parsed_6cgx 2
stop_
save_
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