Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
654087 | 7jgy RC | 30776 | cing | 2-parsed | STAR | entry | full | 90 |
data_7jgy_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_7jgy
_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_7jgy 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_7jgy
_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 7jgy "Master copy" parsed_7jgy
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_7jgy
_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 7jgy.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_7jgy 1
1 7jgy.mr . . DYANA/DIANA 2 distance NOE simple 64 parsed_7jgy 1
1 7jgy.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_7jgy 1
1 7jgy.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 6 parsed_7jgy 1
1 7jgy.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_7jgy 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_7jgy
_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 20-JUL-20 7JGY
*TITLE SOLUTION NMR STRUCTURE OF PROTONECTIN, A PEPTIDE FROM WASP
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: PROTONECTIN PEPTIDE ILE-LEU-GLY-THR-ILE-LEU-GLY-LEU-LEU-
*COMPND 3 LYS-GLY-LEU-NH2;
*COMPND 4 CHAIN: A
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: PARACHARTERGUS FRATERNUS;
*SOURCE 3 ORGANISM_TAXID: 91406
*KEYWDS ALPHA-HELICAL, ANTIMICROBIAL, NON-HAEMOLYTIC, ANTIMICROBIAL PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR J.A.I.MULLER,D.J.CRAIK,J.KOEHBACH
*REVDAT 1 16-DEC-20 7JGY 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_7jgy
_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_7jgy 1
2 1 . . . parsed_7jgy 1
3 1 . . . parsed_7jgy 1
4 1 . . . parsed_7jgy 1
5 1 . . . parsed_7jgy 1
6 1 . . . parsed_7jgy 1
7 1 . . . parsed_7jgy 1
8 1 . . . parsed_7jgy 1
9 1 . . . parsed_7jgy 1
10 1 . . . parsed_7jgy 1
11 1 . . . parsed_7jgy 1
12 1 . . . parsed_7jgy 1
13 1 . . . parsed_7jgy 1
14 1 . . . parsed_7jgy 1
15 1 . . . parsed_7jgy 1
16 1 . . . parsed_7jgy 1
17 1 . . . parsed_7jgy 1
18 1 . . . parsed_7jgy 1
19 1 . . . parsed_7jgy 1
20 1 . . . parsed_7jgy 1
21 1 . . . parsed_7jgy 1
22 1 . . . parsed_7jgy 1
23 1 . . . parsed_7jgy 1
24 1 . . . parsed_7jgy 1
25 1 . . . parsed_7jgy 1
26 1 . . . parsed_7jgy 1
27 1 . . . parsed_7jgy 1
28 1 . . . parsed_7jgy 1
29 1 . . . parsed_7jgy 1
30 1 . . . parsed_7jgy 1
31 1 . . . parsed_7jgy 1
32 1 . . . parsed_7jgy 1
33 1 . . . parsed_7jgy 1
34 1 . . . parsed_7jgy 1
35 1 . . . parsed_7jgy 1
36 1 . . . parsed_7jgy 1
37 1 . . . parsed_7jgy 1
38 1 . . . parsed_7jgy 1
39 1 . . . parsed_7jgy 1
40 1 . . . parsed_7jgy 1
41 1 . . . parsed_7jgy 1
42 1 . . . parsed_7jgy 1
43 1 . . . parsed_7jgy 1
44 1 . . . parsed_7jgy 1
45 1 . . . parsed_7jgy 1
46 1 . . . parsed_7jgy 1
47 1 . . . parsed_7jgy 1
48 1 . . . parsed_7jgy 1
49 1 . . . parsed_7jgy 1
50 1 . . . parsed_7jgy 1
51 1 . . . parsed_7jgy 1
52 1 . . . parsed_7jgy 1
53 1 . . . parsed_7jgy 1
54 1 . . . parsed_7jgy 1
55 1 . . . parsed_7jgy 1
56 1 . . . parsed_7jgy 1
57 1 . . . parsed_7jgy 1
58 1 . . . parsed_7jgy 1
59 1 . . . parsed_7jgy 1
60 1 . . . parsed_7jgy 1
61 1 . . . parsed_7jgy 1
62 1 . . . parsed_7jgy 1
63 1 . . . parsed_7jgy 1
64 1 . . . parsed_7jgy 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 . . . . . . . . . 2 LEU HA parsed_7jgy 1
1 1 2 . . . . . . . . . 3 GLY H parsed_7jgy 1
2 1 1 . . . . . . . . . 1 ILE HA parsed_7jgy 1
2 1 2 . . . . . . . . . 1 ILE QG2 parsed_7jgy 1
3 1 1 . . . . . . . . . 1 ILE HA parsed_7jgy 1
3 1 2 . . . . . . . . . 1 ILE QD1 parsed_7jgy 1
4 1 1 . . . . . . . . . 4 THR H parsed_7jgy 1
4 1 2 . . . . . . . . . 4 THR HB parsed_7jgy 1
5 1 1 . . . . . . . . . 4 THR HB parsed_7jgy 1
5 1 2 . . . . . . . . . 5 ILE H parsed_7jgy 1
6 1 1 . . . . . . . . . 5 ILE HA parsed_7jgy 1
6 1 2 . . . . . . . . . 8 LEU H parsed_7jgy 1
7 1 1 . . . . . . . . . 5 ILE HB parsed_7jgy 1
7 1 2 . . . . . . . . . 6 LEU H parsed_7jgy 1
8 1 1 . . . . . . . . . 5 ILE H parsed_7jgy 1
8 1 2 . . . . . . . . . 5 ILE HB parsed_7jgy 1
9 1 1 . . . . . . . . . 10 LYS HB2 parsed_7jgy 1
9 1 2 . . . . . . . . . 11 GLY H parsed_7jgy 1
10 1 1 . . . . . . . . . 10 LYS HB3 parsed_7jgy 1
10 1 2 . . . . . . . . . 11 GLY H parsed_7jgy 1
11 1 1 . . . . . . . . . 10 LYS H parsed_7jgy 1
11 1 2 . . . . . . . . . 10 LYS HB2 parsed_7jgy 1
12 1 1 . . . . . . . . . 10 LYS H parsed_7jgy 1
12 1 2 . . . . . . . . . 10 LYS HB3 parsed_7jgy 1
13 1 1 . . . . . . . . . 8 LEU H parsed_7jgy 1
13 1 2 . . . . . . . . . 8 LEU HB2 parsed_7jgy 1
14 1 1 . . . . . . . . . 6 LEU HB2 parsed_7jgy 1
14 1 2 . . . . . . . . . 7 GLY H parsed_7jgy 1
15 1 1 . . . . . . . . . 8 LEU H parsed_7jgy 1
15 1 2 . . . . . . . . . 8 LEU HB3 parsed_7jgy 1
16 1 1 . . . . . . . . . 2 LEU HB2 parsed_7jgy 1
16 1 2 . . . . . . . . . 3 GLY H parsed_7jgy 1
17 1 1 . . . . . . . . . 2 LEU HB3 parsed_7jgy 1
17 1 2 . . . . . . . . . 3 GLY H parsed_7jgy 1
18 1 1 . . . . . . . . . 6 LEU HB3 parsed_7jgy 1
18 1 2 . . . . . . . . . 7 GLY H parsed_7jgy 1
19 1 1 . . . . . . . . . 5 ILE H parsed_7jgy 1
19 1 2 . . . . . . . . . 5 ILE HG12 parsed_7jgy 1
20 1 1 . . . . . . . . . 5 ILE H parsed_7jgy 1
20 1 2 . . . . . . . . . 5 ILE HG13 parsed_7jgy 1
21 1 1 . . . . . . . . . 4 THR H parsed_7jgy 1
21 1 2 . . . . . . . . . 4 THR QG2 parsed_7jgy 1
22 1 1 . . . . . . . . . 5 ILE QG2 parsed_7jgy 1
22 1 2 . . . . . . . . . 6 LEU H parsed_7jgy 1
23 1 1 . . . . . . . . . 5 ILE H parsed_7jgy 1
23 1 2 . . . . . . . . . 5 ILE QG2 parsed_7jgy 1
24 1 1 . . . . . . . . . 12 LEU H parsed_7jgy 1
24 1 2 . . . . . . . . . 13 CAM H1 parsed_7jgy 1
25 1 1 . . . . . . . . . 8 LEU H parsed_7jgy 1
25 1 2 . . . . . . . . . 9 LEU H parsed_7jgy 1
26 1 1 . . . . . . . . . 5 ILE H parsed_7jgy 1
26 1 2 . . . . . . . . . 6 LEU H parsed_7jgy 1
27 1 1 . . . . . . . . . 10 LYS H parsed_7jgy 1
27 1 2 . . . . . . . . . 11 GLY H parsed_7jgy 1
28 1 1 . . . . . . . . . 7 GLY H parsed_7jgy 1
28 1 2 . . . . . . . . . 8 LEU H parsed_7jgy 1
29 1 1 . . . . . . . . . 2 LEU HA parsed_7jgy 1
29 1 2 . . . . . . . . . 2 LEU HG parsed_7jgy 1
30 1 1 . . . . . . . . . 2 LEU HA parsed_7jgy 1
30 1 2 . . . . . . . . . 2 LEU QD2 parsed_7jgy 1
31 1 1 . . . . . . . . . 2 LEU HA parsed_7jgy 1
31 1 2 . . . . . . . . . 2 LEU QD1 parsed_7jgy 1
32 1 1 . . . . . . . . . 12 LEU HA parsed_7jgy 1
32 1 2 . . . . . . . . . 12 LEU QD1 parsed_7jgy 1
33 1 1 . . . . . . . . . 12 LEU HA parsed_7jgy 1
33 1 2 . . . . . . . . . 12 LEU QD2 parsed_7jgy 1
34 1 1 . . . . . . . . . 4 THR HA parsed_7jgy 1
34 1 2 . . . . . . . . . 4 THR QG2 parsed_7jgy 1
35 1 1 . . . . . . . . . 10 LYS HA parsed_7jgy 1
35 1 2 . . . . . . . . . 10 LYS HD2 parsed_7jgy 1
36 1 1 . . . . . . . . . 10 LYS HA parsed_7jgy 1
36 1 2 . . . . . . . . . 10 LYS HD3 parsed_7jgy 1
37 1 1 . . . . . . . . . 9 LEU HA parsed_7jgy 1
37 1 2 . . . . . . . . . 9 LEU QD1 parsed_7jgy 1
38 1 1 . . . . . . . . . 9 LEU HA parsed_7jgy 1
38 1 2 . . . . . . . . . 9 LEU QD2 parsed_7jgy 1
39 1 1 . . . . . . . . . 6 LEU HA parsed_7jgy 1
39 1 2 . . . . . . . . . 6 LEU HG parsed_7jgy 1
40 1 1 . . . . . . . . . 5 ILE HA parsed_7jgy 1
40 1 2 . . . . . . . . . 8 LEU HB2 parsed_7jgy 1
41 1 1 . . . . . . . . . 5 ILE HA parsed_7jgy 1
41 1 2 . . . . . . . . . 8 LEU HB3 parsed_7jgy 1
42 1 1 . . . . . . . . . 5 ILE HA parsed_7jgy 1
42 1 2 . . . . . . . . . 5 ILE QG2 parsed_7jgy 1
43 1 1 . . . . . . . . . 5 ILE HA parsed_7jgy 1
43 1 2 . . . . . . . . . 5 ILE QD1 parsed_7jgy 1
44 1 1 . . . . . . . . . 10 LYS HA parsed_7jgy 1
44 1 2 . . . . . . . . . 10 LYS HE2 parsed_7jgy 1
45 1 1 . . . . . . . . . 10 LYS HA parsed_7jgy 1
45 1 2 . . . . . . . . . 10 LYS HE3 parsed_7jgy 1
46 1 1 . . . . . . . . . 3 GLY H parsed_7jgy 1
46 1 2 . . . . . . . . . 4 THR H parsed_7jgy 1
47 1 1 . . . . . . . . . 12 LEU HG parsed_7jgy 1
47 1 2 . . . . . . . . . 13 CAM H1 parsed_7jgy 1
48 1 1 . . . . . . . . . 2 LEU HA parsed_7jgy 1
48 1 2 . . . . . . . . . 2 LEU QQD parsed_7jgy 1
49 1 1 . . . . . . . . . 2 LEU QB parsed_7jgy 1
49 1 2 . . . . . . . . . 3 GLY H parsed_7jgy 1
50 1 1 . . . . . . . . . 5 ILE HA parsed_7jgy 1
50 1 2 . . . . . . . . . 8 LEU QB parsed_7jgy 1
51 1 1 . . . . . . . . . 6 LEU H parsed_7jgy 1
51 1 2 . . . . . . . . . 6 LEU QB parsed_7jgy 1
52 1 1 . . . . . . . . . 6 LEU HA parsed_7jgy 1
52 1 2 . . . . . . . . . 6 LEU QQD parsed_7jgy 1
53 1 1 . . . . . . . . . 6 LEU QB parsed_7jgy 1
53 1 2 . . . . . . . . . 7 GLY H parsed_7jgy 1
54 1 1 . . . . . . . . . 8 LEU H parsed_7jgy 1
54 1 2 . . . . . . . . . 8 LEU QB parsed_7jgy 1
55 1 1 . . . . . . . . . 8 LEU HA parsed_7jgy 1
55 1 2 . . . . . . . . . 8 LEU QQD parsed_7jgy 1
56 1 1 . . . . . . . . . 8 LEU QB parsed_7jgy 1
56 1 2 . . . . . . . . . 9 LEU H parsed_7jgy 1
57 1 1 . . . . . . . . . 9 LEU H parsed_7jgy 1
57 1 2 . . . . . . . . . 9 LEU QB parsed_7jgy 1
58 1 1 . . . . . . . . . 9 LEU HA parsed_7jgy 1
58 1 2 . . . . . . . . . 9 LEU QQD parsed_7jgy 1
59 1 1 . . . . . . . . . 9 LEU QB parsed_7jgy 1
59 1 2 . . . . . . . . . 10 LYS H parsed_7jgy 1
60 1 1 . . . . . . . . . 10 LYS H parsed_7jgy 1
60 1 2 . . . . . . . . . 10 LYS QB parsed_7jgy 1
61 1 1 . . . . . . . . . 10 LYS HA parsed_7jgy 1
61 1 2 . . . . . . . . . 10 LYS QD parsed_7jgy 1
62 1 1 . . . . . . . . . 10 LYS QB parsed_7jgy 1
62 1 2 . . . . . . . . . 11 GLY H parsed_7jgy 1
63 1 1 . . . . . . . . . 12 LEU H parsed_7jgy 1
63 1 2 . . . . . . . . . 12 LEU QB parsed_7jgy 1
64 1 1 . . . . . . . . . 12 LEU HA parsed_7jgy 1
64 1 2 . . . . . . . . . 12 LEU QQD parsed_7jgy 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 . . . . . . . 3.56 parsed_7jgy 1
2 1 . . . . . . . 3.80 parsed_7jgy 1
3 1 . . . . . . . 4.08 parsed_7jgy 1
4 1 . . . . . . . 3.77 parsed_7jgy 1
5 1 . . . . . . . 4.27 parsed_7jgy 1
6 1 . . . . . . . 4.41 parsed_7jgy 1
7 1 . . . . . . . 4.06 parsed_7jgy 1
8 1 . . . . . . . 3.42 parsed_7jgy 1
9 1 . . . . . . . 4.92 parsed_7jgy 1
10 1 . . . . . . . 4.92 parsed_7jgy 1
11 1 . . . . . . . 3.77 parsed_7jgy 1
12 1 . . . . . . . 3.77 parsed_7jgy 1
13 1 . . . . . . . 3.64 parsed_7jgy 1
14 1 . . . . . . . 4.78 parsed_7jgy 1
15 1 . . . . . . . 3.64 parsed_7jgy 1
16 1 . . . . . . . 4.78 parsed_7jgy 1
17 1 . . . . . . . 4.78 parsed_7jgy 1
18 1 . . . . . . . 4.78 parsed_7jgy 1
19 1 . . . . . . . 4.14 parsed_7jgy 1
20 1 . . . . . . . 4.14 parsed_7jgy 1
21 1 . . . . . . . 4.22 parsed_7jgy 1
22 1 . . . . . . . 4.65 parsed_7jgy 1
23 1 . . . . . . . 4.48 parsed_7jgy 1
24 1 . . . . . . . 4.17 parsed_7jgy 1
25 1 . . . . . . . 3.94 parsed_7jgy 1
26 1 . . . . . . . 3.86 parsed_7jgy 1
27 1 . . . . . . . 3.82 parsed_7jgy 1
28 1 . . . . . . . 3.96 parsed_7jgy 1
29 1 . . . . . . . 4.05 parsed_7jgy 1
30 1 . . . . . . . 3.94 parsed_7jgy 1
31 1 . . . . . . . 3.94 parsed_7jgy 1
32 1 . . . . . . . 4.55 parsed_7jgy 1
33 1 . . . . . . . 4.55 parsed_7jgy 1
34 1 . . . . . . . 3.31 parsed_7jgy 1
35 1 . . . . . . . 5.43 parsed_7jgy 1
36 1 . . . . . . . 5.43 parsed_7jgy 1
37 1 . . . . . . . 4.62 parsed_7jgy 1
38 1 . . . . . . . 4.62 parsed_7jgy 1
39 1 . . . . . . . 4.21 parsed_7jgy 1
40 1 . . . . . . . 4.92 parsed_7jgy 1
41 1 . . . . . . . 4.92 parsed_7jgy 1
42 1 . . . . . . . 3.65 parsed_7jgy 1
43 1 . . . . . . . 4.17 parsed_7jgy 1
44 1 . . . . . . . 5.50 parsed_7jgy 1
45 1 . . . . . . . 5.50 parsed_7jgy 1
46 1 . . . . . . . 4.57 parsed_7jgy 1
47 1 . . . . . . . 5.50 parsed_7jgy 1
48 1 . . . . . . . 3.37 parsed_7jgy 1
49 1 . . . . . . . 4.08 parsed_7jgy 1
50 1 . . . . . . . 4.06 parsed_7jgy 1
51 1 . . . . . . . 3.19 parsed_7jgy 1
52 1 . . . . . . . 3.21 parsed_7jgy 1
53 1 . . . . . . . 4.14 parsed_7jgy 1
54 1 . . . . . . . 3.19 parsed_7jgy 1
55 1 . . . . . . . 3.41 parsed_7jgy 1
56 1 . . . . . . . 4.26 parsed_7jgy 1
57 1 . . . . . . . 3.03 parsed_7jgy 1
58 1 . . . . . . . 3.97 parsed_7jgy 1
59 1 . . . . . . . 4.27 parsed_7jgy 1
60 1 . . . . . . . 3.13 parsed_7jgy 1
61 1 . . . . . . . 4.68 parsed_7jgy 1
62 1 . . . . . . . 4.29 parsed_7jgy 1
63 1 . . . . . . . 3.11 parsed_7jgy 1
64 1 . . . . . . . 3.91 parsed_7jgy 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: protonectin_pdb_restraints.txt" 1 1 1 51 parsed_7jgy 1
2 "distance restraints" 2 1 2 20 parsed_7jgy 1
3 "peak 2 #plist 1 #SUP 0.98 #QF 0.98" 3 39 3 73 parsed_7jgy 1
4 "peak 36 #plist 1 #SUP 0.96 #QF 0.96" 4 39 4 74 parsed_7jgy 1
5 "peak 37 #plist 1 #SUP 0.90 #QF 0.90" 5 39 5 74 parsed_7jgy 1
6 "peak 52 #plist 1 #SUP 0.98 #QF 0.97" 6 39 6 74 parsed_7jgy 1
7 "peak 53 #plist 1 #SUP 0.99 #QF 0.98" 7 39 7 74 parsed_7jgy 1
8 "peak 54 #plist 1 #SUP 0.79 #QF 0.79" 8 39 8 74 parsed_7jgy 1
9 "peak 60 #plist 1 #SUP 0.92 #QF 0.92" 9 39 9 74 parsed_7jgy 1
10 "peak 61 #plist 1 #SUP 0.93 #QF 0.93" 10 39 10 74 parsed_7jgy 1
11 "peak 63 #plist 1 #SUP 0.99 #QF 0.88" 11 39 11 74 parsed_7jgy 1
12 "peak 63 #plist 1 #SUP 0.99 #QF 0.88" 12 39 12 74 parsed_7jgy 1
13 "peak 64 #plist 1 #SUP 0.83 #QF 0.67" 13 39 13 74 parsed_7jgy 1
14 "peak 64 #plist 1 #SUP 0.83 #QF 0.67" 14 39 14 74 parsed_7jgy 1
15 "peak 66 #plist 1 #SUP 0.96 #QF 0.96" 15 39 15 74 parsed_7jgy 1
16 "peak 69 #plist 1 #SUP 0.92 #QF 0.92" 16 39 16 74 parsed_7jgy 1
17 "peak 70 #plist 1 #SUP 0.84 #QF 0.84" 17 39 17 74 parsed_7jgy 1
18 "peak 73 #plist 1 #SUP 0.99 #QF 0.92" 18 39 18 74 parsed_7jgy 1
19 "peak 73 #plist 1 #SUP 0.99 #QF 0.92" 19 39 19 74 parsed_7jgy 1
20 "peak 78 #plist 1 #SUP 0.92 #QF 0.92" 20 39 20 74 parsed_7jgy 1
21 "peak 80 #plist 1 #SUP 0.97 #QF 0.97" 21 39 21 74 parsed_7jgy 1
22 "peak 84 #plist 1 #SUP 0.99 #QF 0.99" 22 39 22 74 parsed_7jgy 1
23 "peak 86 #plist 1 #SUP 0.99 #QF 0.99" 23 39 23 74 parsed_7jgy 1
24 "peak 87 #plist 1 #SUP 0.97 #QF 0.97" 24 39 24 74 parsed_7jgy 1
25 "peak 88 #plist 1 #SUP 0.98 #QF 0.98" 25 39 25 74 parsed_7jgy 1
26 "peak 89 #plist 1 #SUP 0.97 #QF 0.97" 26 39 26 74 parsed_7jgy 1
27 "peak 90 #plist 1 #SUP 0.99 #QF 0.99" 27 39 27 74 parsed_7jgy 1
28 "peak 94 #plist 1 #SUP 0.89 #QF 0.89" 28 39 28 74 parsed_7jgy 1
29 "peak 103 #plist 1 #SUP 0.90 #QF 0.90" 29 39 29 75 parsed_7jgy 1
30 "peak 104 #plist 1 #SUP 0.92 #QF 0.92" 30 39 30 75 parsed_7jgy 1
31 "peak 109 #plist 1 #SUP 1.00 #QF 0.96" 31 39 31 75 parsed_7jgy 1
32 "peak 110 #plist 1 #SUP 0.91 #QF 0.91" 32 39 32 75 parsed_7jgy 1
33 "peak 111 #plist 1 #SUP 0.84 #QF 0.84" 33 39 33 75 parsed_7jgy 1
34 "peak 114 #plist 1 #SUP 0.79 #QF 0.35" 34 39 34 75 parsed_7jgy 1
35 "peak 114 #plist 1 #SUP 0.79 #QF 0.35" 35 39 35 75 parsed_7jgy 1
36 "peak 118 #plist 1 #SUP 0.98 #QF 0.53" 36 39 36 75 parsed_7jgy 1
37 "peak 120 #plist 1 #SUP 0.98 #QF 0.89" 37 39 37 75 parsed_7jgy 1
38 "peak 120 #plist 1 #SUP 0.98 #QF 0.89" 38 39 38 75 parsed_7jgy 1
39 "peak 123 #plist 1 #SUP 0.91 #QF 0.69" 39 39 39 75 parsed_7jgy 1
40 "peak 123 #plist 1 #SUP 0.91 #QF 0.69" 40 39 40 75 parsed_7jgy 1
41 "peak 127 #plist 1 #SUP 0.99 #QF 0.91" 41 39 41 75 parsed_7jgy 1
42 "peak 134 #plist 1 #SUP 0.83 #QF 0.77" 42 39 42 75 parsed_7jgy 1
43 "peak 135 #plist 1 #SUP 0.79 #QF 0.79" 43 39 43 75 parsed_7jgy 1
44 "peak 136 #plist 1 #SUP 0.99 #QF 0.99" 44 39 44 75 parsed_7jgy 1
45 "peak 137 #plist 1 #SUP 0.91 #QF 0.81" 45 39 45 75 parsed_7jgy 1
46 "peak 139 #plist 1 #SUP 0.92 #QF 0.70" 46 39 46 75 parsed_7jgy 1
47 "peak 139 #plist 1 #SUP 0.92 #QF 0.70" 47 39 47 75 parsed_7jgy 1
48 "peak 140 #plist 1 #SUP 0.98 #QF 0.98" 48 39 48 75 parsed_7jgy 1
49 "peak 142 #plist 1 #SUP 0.99 #QF 0.99" 49 39 49 75 parsed_7jgy 1
50 "peak 111 #plist 1" 50 39 50 56 parsed_7jgy 1
51 "peak 73 #plist 1" 51 39 51 55 parsed_7jgy 1
52 "peak 135 #plist 1" 52 39 52 56 parsed_7jgy 1
53 "peak 72 #plist 1" 53 39 53 55 parsed_7jgy 1
54 "peak 128 #plist 1" 54 39 54 56 parsed_7jgy 1
55 "peak 69 #plist 1" 55 39 55 55 parsed_7jgy 1
56 "peak 66 #plist 1" 56 39 56 55 parsed_7jgy 1
57 "peak 117 #plist 1" 57 39 57 56 parsed_7jgy 1
58 "peak 71 #plist 1" 58 39 58 55 parsed_7jgy 1
59 "peak 65 #plist 1" 59 39 59 55 parsed_7jgy 1
60 "peak 123 #plist 1" 60 39 60 56 parsed_7jgy 1
61 "peak 82 #plist 1" 61 39 61 55 parsed_7jgy 1
62 "peak 64 #plist 1" 62 39 62 55 parsed_7jgy 1
63 "peak 120 #plist 1" 63 39 63 56 parsed_7jgy 1
64 "peak 63 #plist 1" 64 39 64 55 parsed_7jgy 1
65 "peak 68 #plist 1" 65 39 65 55 parsed_7jgy 1
66 "peak 114 #plist 1" 66 39 66 56 parsed_7jgy 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_7jgy
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -42.0 . . 2 LEU . . . . . . . . . . . . . parsed_7jgy 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.3 -17.3 . . 2 LEU . . . . . . . . . . . . . parsed_7jgy 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.1 -42.1 . . 3 GLY . . . . . . . . . . . . . parsed_7jgy 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.7 -22.7 . . 3 GLY . . . . . . . . . . . . . parsed_7jgy 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.7 -46.7 . . 4 THR . . . . . . . . . . . . . parsed_7jgy 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.1 -20.1 . . 4 THR . . . . . . . . . . . . . parsed_7jgy 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.3 -45.3 . . 5 ILE . . . . . . . . . . . . . parsed_7jgy 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.9 -23.9 . . 5 ILE . . . . . . . . . . . . . parsed_7jgy 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.4 -44.4 . . 6 LEU . . . . . . . . . . . . . parsed_7jgy 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.6 -22.6 . . 6 LEU . . . . . . . . . . . . . parsed_7jgy 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.2 -43.2 . . 7 GLY . . . . . . . . . . . . . parsed_7jgy 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.1 -20.1 . . 7 GLY . . . . . . . . . . . . . parsed_7jgy 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.5 -43.5 . . 8 LEU . . . . . . . . . . . . . parsed_7jgy 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.1 -24.1 . . 8 LEU . . . . . . . . . . . . . parsed_7jgy 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.8 -43.8 . . 9 LEU . . . . . . . . . . . . . parsed_7jgy 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.1 -22.1 . . 9 LEU . . . . . . . . . . . . . parsed_7jgy 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.9 -42.9 . . 10 LYS . . . . . . . . . . . . . parsed_7jgy 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.9 -19.9 . . 10 LYS . . . . . . . . . . . . . parsed_7jgy 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.9 -41.9 . . 11 GLY . . . . . . . . . . . . . parsed_7jgy 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . . 11 GLY . . . . . . . . . . . . . parsed_7jgy 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 "dihedral angle restraints" 1 1 1 26 parsed_7jgy 1
2 "2 L -62.010 -37.256 5.072 6.203 0.781 0.837 25 12 Strong" 3 1 3 72 parsed_7jgy 1
3 "3 G -62.115 -42.674 3.156 3.586 0.558 0.850 25 14 Strong" 7 1 7 72 parsed_7jgy 1
4 "4 T -66.746 -40.138 3.229 4.490 0.462 0.868 25 14 Strong" 11 1 11 72 parsed_7jgy 1
5 "5 I -65.282 -43.862 4.171 4.771 0.376 0.877 25 15 Strong" 15 1 15 72 parsed_7jgy 1
6 "6 L -64.400 -42.644 3.689 5.542 0.320 0.879 25 14 Strong" 19 1 19 72 parsed_7jgy 1
7 "7 G -63.217 -40.150 3.622 4.735 0.332 0.870 25 14 Strong" 23 1 23 72 parsed_7jgy 1
8 "8 L -63.526 -44.130 3.270 4.203 0.307 0.864 25 14 Strong" 27 1 27 72 parsed_7jgy 1
9 "9 L -63.799 -42.137 2.790 3.315 0.371 0.865 25 15 Strong" 31 1 31 72 parsed_7jgy 1
10 "10 K -62.920 -39.880 4.523 5.504 0.426 0.863 25 14 Strong" 35 1 35 72 parsed_7jgy 1
11 "11 G -61.930 -38.029 4.415 6.341 0.545 0.856 25 14 Strong" 39 1 39 72 parsed_7jgy 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_7jgy
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_7jgy 2
2 1 . . . parsed_7jgy 2
3 1 . . . parsed_7jgy 2
4 1 . . . parsed_7jgy 2
5 1 . . . parsed_7jgy 2
6 1 . . . parsed_7jgy 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 . . . . . . . . . 7 GLY H parsed_7jgy 2
1 1 2 . . . . . . . . . 3 GLY O parsed_7jgy 2
2 1 1 . . . . . . . . . 7 GLY N parsed_7jgy 2
2 1 2 . . . . . . . . . 3 GLY O parsed_7jgy 2
3 1 1 . . . . . . . . . 11 GLY H parsed_7jgy 2
3 1 2 . . . . . . . . . 7 GLY O parsed_7jgy 2
4 1 1 . . . . . . . . . 11 GLY N parsed_7jgy 2
4 1 2 . . . . . . . . . 7 GLY O parsed_7jgy 2
5 1 1 . . . . . . . . . 12 LEU H parsed_7jgy 2
5 1 2 . . . . . . . . . 8 LEU O parsed_7jgy 2
6 1 1 . . . . . . . . . 12 LEU N parsed_7jgy 2
6 1 2 . . . . . . . . . 8 LEU O parsed_7jgy 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 . . . . . . . 2 parsed_7jgy 2
2 1 . . . . . . . 3 parsed_7jgy 2
3 1 . . . . . . . 2 parsed_7jgy 2
4 1 . . . . . . . 3 parsed_7jgy 2
5 1 . . . . . . . 2 parsed_7jgy 2
6 1 . . . . . . . 3 parsed_7jgy 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 "hbond restraints" 1 1 1 17 parsed_7jgy 2
stop_
save_