NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
34078 |
1jc8   |
5139 | cing | 2-parsed | STAR | entry | full | 96 |
data_1jc8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1jc8
_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_1jc8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1jc8
_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 1jc8 "Master copy" parsed_1jc8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1jc8
_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 1jc8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1jc8 1
1 1jc8.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1jc8 1
1 1jc8.mr . . DYANA/DIANA 3 distance NOE simple 41 parsed_1jc8 1
1 1jc8.mr . . DYANA/DIANA 4 distance "general distance" simple 7 parsed_1jc8 1
1 1jc8.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1jc8 1
1 1jc8.mr . . DYANA/DIANA 6 distance NOE simple 41 parsed_1jc8 1
1 1jc8.mr . . DYANA/DIANA 7 distance "general distance" simple 7 parsed_1jc8 1
1 1jc8.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1jc8 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_1jc8
_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 VIRUS/VIRAL PROTEIN 08-JUN-01 1JC8
*TITLE SOLUTION STRUCTURE OF LACTAM ANALOGUE (DDAP) OF GP41 600-
*TITLE 2 612 LOOP OF HIV
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: DDAP: (ACE)IWGDSGKLI(DNP)TTA ANALOGUE OF HIV
*COMPND 3 GP41;
*COMPND 4 CHAIN: A;
*COMPND 5 ENGINEERED: YES;
*COMPND 6 OTHER_DETAILS: ATOM OD2 OF ASP 5 IS MISSING DUE TO THE
*COMPND 7 SIDE-CHAIN LINK BETWEEN ASP 5 AND DNP 11
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THE PARENT PEPTIDE (IWGCSGKLICTTA) OCCURS
*SOURCE 4 NATURALLY IN HIV GP41 GLYCOPROTEIN.
*KEYWDS LACTAM BOND, CYCLIC PEPTIDE, HIV GP41, PEPTIDOMIMETICS.
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR A.PHAN CHAN DU, D.LIMAL, V.SEMETEY, H.DALI, M.JOLIVET,
*AUTHOR 2 C.DESGRANGES, M.T.CUNG, J.P.BRIAND, M.C.PETIT, S.MULLER
*REVDAT 1 01-JUL-03 1JC8 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1jc8
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
NMR restraints for Ddap analogue
atom1 atom2 upper limit distance
;
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1jc8
_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_1jc8 1
2 1 . . . parsed_1jc8 1
3 1 . . . parsed_1jc8 1
4 1 . . . parsed_1jc8 1
5 1 . . . parsed_1jc8 1
6 1 . . . parsed_1jc8 1
7 1 . . . parsed_1jc8 1
8 1 . . . parsed_1jc8 1
9 1 . . . parsed_1jc8 1
10 1 . . . parsed_1jc8 1
11 1 . . . parsed_1jc8 1
12 1 . . . parsed_1jc8 1
13 1 . . . parsed_1jc8 1
14 1 . . . parsed_1jc8 1
15 1 . . . parsed_1jc8 1
16 1 . . . parsed_1jc8 1
17 1 . . . parsed_1jc8 1
18 1 . . . parsed_1jc8 1
19 1 . . . parsed_1jc8 1
20 1 . . . parsed_1jc8 1
21 1 . . . parsed_1jc8 1
22 1 . . . parsed_1jc8 1
23 1 . . . parsed_1jc8 1
24 1 . . . parsed_1jc8 1
25 1 . . . parsed_1jc8 1
26 1 . . . parsed_1jc8 1
27 1 . . . parsed_1jc8 1
28 1 . . . parsed_1jc8 1
29 1 . . . parsed_1jc8 1
30 1 . . . parsed_1jc8 1
31 1 . . . parsed_1jc8 1
32 1 . . . parsed_1jc8 1
33 1 . . . parsed_1jc8 1
34 1 . . . parsed_1jc8 1
35 1 . . . parsed_1jc8 1
36 1 . . . parsed_1jc8 1
37 1 . . . parsed_1jc8 1
38 1 . . . parsed_1jc8 1
39 1 . . . parsed_1jc8 1
40 1 . . . parsed_1jc8 1
41 1 . . . parsed_1jc8 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 ILE HN parsed_1jc8 1
1 1 2 . . . . . . . . . 4 GLY HN parsed_1jc8 1
2 1 1 . . . . . . . . . 2 ILE HA parsed_1jc8 1
2 1 2 . . . . . . . . . 3 TRP HN parsed_1jc8 1
3 1 1 . . . . . . . . . 2 ILE HB parsed_1jc8 1
3 1 2 . . . . . . . . . 3 TRP HN parsed_1jc8 1
4 1 1 . . . . . . . . . 2 ILE QD1 parsed_1jc8 1
4 1 2 . . . . . . . . . 3 TRP HN parsed_1jc8 1
5 1 1 . . . . . . . . . 3 TRP HN parsed_1jc8 1
5 1 2 . . . . . . . . . 4 GLY HN parsed_1jc8 1
6 1 1 . . . . . . . . . 3 TRP HA parsed_1jc8 1
6 1 2 . . . . . . . . . 4 GLY HN parsed_1jc8 1
7 1 1 . . . . . . . . . 3 TRP QB parsed_1jc8 1
7 1 2 . . . . . . . . . 4 GLY HN parsed_1jc8 1
8 1 1 . . . . . . . . . 3 TRP HD1 parsed_1jc8 1
8 1 2 . . . . . . . . . 4 GLY HN parsed_1jc8 1
9 1 1 . . . . . . . . . 3 TRP HE3 parsed_1jc8 1
9 1 2 . . . . . . . . . 4 GLY HN parsed_1jc8 1
10 1 1 . . . . . . . . . 5 ASP HA parsed_1jc8 1
10 1 2 . . . . . . . . . 6 SER HN parsed_1jc8 1
11 1 1 . . . . . . . . . 5 ASP QB parsed_1jc8 1
11 1 2 . . . . . . . . . 6 SER HN parsed_1jc8 1
12 1 1 . . . . . . . . . 5 ASP QB parsed_1jc8 1
12 1 2 . . . . . . . . . 11 DAP HG parsed_1jc8 1
13 1 1 . . . . . . . . . 6 SER HN parsed_1jc8 1
13 1 2 . . . . . . . . . 7 GLY HN parsed_1jc8 1
14 1 1 . . . . . . . . . 6 SER HN parsed_1jc8 1
14 1 2 . . . . . . . . . 8 LYS HN parsed_1jc8 1
15 1 1 . . . . . . . . . 6 SER QB parsed_1jc8 1
15 1 2 . . . . . . . . . 7 GLY HN parsed_1jc8 1
16 1 1 . . . . . . . . . 7 GLY HN parsed_1jc8 1
16 1 2 . . . . . . . . . 8 LYS HN parsed_1jc8 1
17 1 1 . . . . . . . . . 7 GLY QA parsed_1jc8 1
17 1 2 . . . . . . . . . 8 LYS HN parsed_1jc8 1
18 1 1 . . . . . . . . . 8 LYS HN parsed_1jc8 1
18 1 2 . . . . . . . . . 9 LEU HN parsed_1jc8 1
19 1 1 . . . . . . . . . 8 LYS HA parsed_1jc8 1
19 1 2 . . . . . . . . . 9 LEU HN parsed_1jc8 1
20 1 1 . . . . . . . . . 8 LYS QB parsed_1jc8 1
20 1 2 . . . . . . . . . 9 LEU HN parsed_1jc8 1
21 1 1 . . . . . . . . . 8 LYS QB parsed_1jc8 1
21 1 2 . . . . . . . . . 10 ILE HN parsed_1jc8 1
22 1 1 . . . . . . . . . 9 LEU HN parsed_1jc8 1
22 1 2 . . . . . . . . . 10 ILE HN parsed_1jc8 1
23 1 1 . . . . . . . . . 10 ILE HN parsed_1jc8 1
23 1 2 . . . . . . . . . 11 DAP HN parsed_1jc8 1
24 1 1 . . . . . . . . . 10 ILE HA parsed_1jc8 1
24 1 2 . . . . . . . . . 11 DAP HN parsed_1jc8 1
25 1 1 . . . . . . . . . 10 ILE HB parsed_1jc8 1
25 1 2 . . . . . . . . . 11 DAP HN parsed_1jc8 1
26 1 1 . . . . . . . . . 10 ILE QG2 parsed_1jc8 1
26 1 2 . . . . . . . . . 11 DAP HN parsed_1jc8 1
27 1 1 . . . . . . . . . 10 ILE QG1 parsed_1jc8 1
27 1 2 . . . . . . . . . 11 DAP HN parsed_1jc8 1
28 1 1 . . . . . . . . . 10 ILE QD1 parsed_1jc8 1
28 1 2 . . . . . . . . . 11 DAP HN parsed_1jc8 1
29 1 1 . . . . . . . . . 10 ILE QD1 parsed_1jc8 1
29 1 2 . . . . . . . . . 12 THR HN parsed_1jc8 1
30 1 1 . . . . . . . . . 11 DAP HA parsed_1jc8 1
30 1 2 . . . . . . . . . 11 DAP HG parsed_1jc8 1
31 1 1 . . . . . . . . . 11 DAP QB parsed_1jc8 1
31 1 2 . . . . . . . . . 11 DAP HG parsed_1jc8 1
32 1 1 . . . . . . . . . 11 DAP HN parsed_1jc8 1
32 1 2 . . . . . . . . . 11 DAP HG parsed_1jc8 1
33 1 1 . . . . . . . . . 11 DAP HN parsed_1jc8 1
33 1 2 . . . . . . . . . 12 THR HN parsed_1jc8 1
34 1 1 . . . . . . . . . 11 DAP HA parsed_1jc8 1
34 1 2 . . . . . . . . . 12 THR HN parsed_1jc8 1
35 1 1 . . . . . . . . . 11 DAP QB parsed_1jc8 1
35 1 2 . . . . . . . . . 13 THR HN parsed_1jc8 1
36 1 1 . . . . . . . . . 11 DAP QB parsed_1jc8 1
36 1 2 . . . . . . . . . 12 THR HN parsed_1jc8 1
37 1 1 . . . . . . . . . 12 THR HN parsed_1jc8 1
37 1 2 . . . . . . . . . 13 THR HN parsed_1jc8 1
38 1 1 . . . . . . . . . 12 THR HA parsed_1jc8 1
38 1 2 . . . . . . . . . 13 THR HN parsed_1jc8 1
39 1 1 . . . . . . . . . 13 THR HN parsed_1jc8 1
39 1 2 . . . . . . . . . 14 ALA HN parsed_1jc8 1
40 1 1 . . . . . . . . . 13 THR HB parsed_1jc8 1
40 1 2 . . . . . . . . . 14 ALA HN parsed_1jc8 1
41 1 1 . . . . . . . . . 13 THR QG2 parsed_1jc8 1
41 1 2 . . . . . . . . . 14 ALA HN parsed_1jc8 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 . . . . . . . 3.80 parsed_1jc8 1
2 1 . . . . . . . 3.80 parsed_1jc8 1
3 1 . . . . . . . 3.80 parsed_1jc8 1
4 1 . . . . . . . 4.80 parsed_1jc8 1
5 1 . . . . . . . 3.80 parsed_1jc8 1
6 1 . . . . . . . 3.80 parsed_1jc8 1
7 1 . . . . . . . 3.80 parsed_1jc8 1
8 1 . . . . . . . 5.50 parsed_1jc8 1
9 1 . . . . . . . 5.50 parsed_1jc8 1
10 1 . . . . . . . 3.80 parsed_1jc8 1
11 1 . . . . . . . 3.80 parsed_1jc8 1
12 1 . . . . . . . 3.80 parsed_1jc8 1
13 1 . . . . . . . 3.80 parsed_1jc8 1
14 1 . . . . . . . 5.50 parsed_1jc8 1
15 1 . . . . . . . 2.80 parsed_1jc8 1
16 1 . . . . . . . 2.80 parsed_1jc8 1
17 1 . . . . . . . 3.80 parsed_1jc8 1
18 1 . . . . . . . 2.80 parsed_1jc8 1
19 1 . . . . . . . 3.80 parsed_1jc8 1
20 1 . . . . . . . 3.80 parsed_1jc8 1
21 1 . . . . . . . 5.50 parsed_1jc8 1
22 1 . . . . . . . 2.80 parsed_1jc8 1
23 1 . . . . . . . 4.80 parsed_1jc8 1
24 1 . . . . . . . 2.80 parsed_1jc8 1
25 1 . . . . . . . 4.80 parsed_1jc8 1
26 1 . . . . . . . 5.50 parsed_1jc8 1
27 1 . . . . . . . 4.80 parsed_1jc8 1
28 1 . . . . . . . 4.80 parsed_1jc8 1
29 1 . . . . . . . 4.80 parsed_1jc8 1
30 1 . . . . . . . 3.80 parsed_1jc8 1
31 1 . . . . . . . 3.80 parsed_1jc8 1
32 1 . . . . . . . 4.80 parsed_1jc8 1
33 1 . . . . . . . 3.80 parsed_1jc8 1
34 1 . . . . . . . 3.80 parsed_1jc8 1
35 1 . . . . . . . 5.50 parsed_1jc8 1
36 1 . . . . . . . 3.80 parsed_1jc8 1
37 1 . . . . . . . 4.20 parsed_1jc8 1
38 1 . . . . . . . 3.20 parsed_1jc8 1
39 1 . . . . . . . 3.80 parsed_1jc8 1
40 1 . . . . . . . 4.80 parsed_1jc8 1
41 1 . . . . . . . 5.50 parsed_1jc8 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1jc8
_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_1jc8 2
2 1 . . . parsed_1jc8 2
3 1 . . . parsed_1jc8 2
4 1 . . . parsed_1jc8 2
5 1 . . . parsed_1jc8 2
6 1 . . . parsed_1jc8 2
7 1 . . . parsed_1jc8 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 . . . . . . . . . 5 ASP CG parsed_1jc8 2
1 1 2 . . . . . . . . . 11 DAP NG parsed_1jc8 2
2 1 1 . . . . . . . . . 5 ASP CB parsed_1jc8 2
2 1 2 . . . . . . . . . 11 DAP NG parsed_1jc8 2
3 1 1 . . . . . . . . . 5 ASP OD1 parsed_1jc8 2
3 1 2 . . . . . . . . . 11 DAP NG parsed_1jc8 2
4 1 1 . . . . . . . . . 5 ASP CG parsed_1jc8 2
4 1 2 . . . . . . . . . 11 DAP CB parsed_1jc8 2
5 1 1 . . . . . . . . . 5 ASP CG parsed_1jc8 2
5 1 2 . . . . . . . . . 11 DAP HG parsed_1jc8 2
6 1 1 . . . . . . . . . 5 ASP OD1 parsed_1jc8 2
6 1 2 . . . . . . . . . 11 DAP CB parsed_1jc8 2
7 1 1 . . . . . . . . . 5 ASP OD1 parsed_1jc8 2
7 1 2 . . . . . . . . . 11 DAP HG parsed_1jc8 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 . . . . . . . 1.32 parsed_1jc8 2
2 1 . . . . . . . 2.38 parsed_1jc8 2
3 1 . . . . . . . 2.24 parsed_1jc8 2
4 1 . . . . . . . 2.42 parsed_1jc8 2
5 1 . . . . . . . 2.04 parsed_1jc8 2
6 1 . . . . . . . 2.76 parsed_1jc8 2
7 1 . . . . . . . 3.16 parsed_1jc8 2
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
5 ASP CB 11 DAP CB 3.78
"5 ASP CB" 11 DAP HG 2.48
;
6 1 7 27 parsed_1jc8 2
stop_
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1jc8
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "atom1 atom2 lower limit distance"
save_
save_DYANA/DIANA_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1jc8
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_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_1jc8 3
2 1 . . . parsed_1jc8 3
3 1 . . . parsed_1jc8 3
4 1 . . . parsed_1jc8 3
5 1 . . . parsed_1jc8 3
6 1 . . . parsed_1jc8 3
7 1 . . . parsed_1jc8 3
8 1 . . . parsed_1jc8 3
9 1 . . . parsed_1jc8 3
10 1 . . . parsed_1jc8 3
11 1 . . . parsed_1jc8 3
12 1 . . . parsed_1jc8 3
13 1 . . . parsed_1jc8 3
14 1 . . . parsed_1jc8 3
15 1 . . . parsed_1jc8 3
16 1 . . . parsed_1jc8 3
17 1 . . . parsed_1jc8 3
18 1 . . . parsed_1jc8 3
19 1 . . . parsed_1jc8 3
20 1 . . . parsed_1jc8 3
21 1 . . . parsed_1jc8 3
22 1 . . . parsed_1jc8 3
23 1 . . . parsed_1jc8 3
24 1 . . . parsed_1jc8 3
25 1 . . . parsed_1jc8 3
26 1 . . . parsed_1jc8 3
27 1 . . . parsed_1jc8 3
28 1 . . . parsed_1jc8 3
29 1 . . . parsed_1jc8 3
30 1 . . . parsed_1jc8 3
31 1 . . . parsed_1jc8 3
32 1 . . . parsed_1jc8 3
33 1 . . . parsed_1jc8 3
34 1 . . . parsed_1jc8 3
35 1 . . . parsed_1jc8 3
36 1 . . . parsed_1jc8 3
37 1 . . . parsed_1jc8 3
38 1 . . . parsed_1jc8 3
39 1 . . . parsed_1jc8 3
40 1 . . . parsed_1jc8 3
41 1 . . . parsed_1jc8 3
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 ILE HN parsed_1jc8 3
1 1 2 . . . . . . . . . 4 GLY HN parsed_1jc8 3
2 1 1 . . . . . . . . . 2 ILE HA parsed_1jc8 3
2 1 2 . . . . . . . . . 3 TRP HN parsed_1jc8 3
3 1 1 . . . . . . . . . 2 ILE HB parsed_1jc8 3
3 1 2 . . . . . . . . . 3 TRP HN parsed_1jc8 3
4 1 1 . . . . . . . . . 2 ILE QD1 parsed_1jc8 3
4 1 2 . . . . . . . . . 3 TRP HN parsed_1jc8 3
5 1 1 . . . . . . . . . 3 TRP HN parsed_1jc8 3
5 1 2 . . . . . . . . . 4 GLY HN parsed_1jc8 3
6 1 1 . . . . . . . . . 3 TRP HA parsed_1jc8 3
6 1 2 . . . . . . . . . 4 GLY HN parsed_1jc8 3
7 1 1 . . . . . . . . . 3 TRP QB parsed_1jc8 3
7 1 2 . . . . . . . . . 4 GLY HN parsed_1jc8 3
8 1 1 . . . . . . . . . 3 TRP HD1 parsed_1jc8 3
8 1 2 . . . . . . . . . 4 GLY HN parsed_1jc8 3
9 1 1 . . . . . . . . . 3 TRP HE3 parsed_1jc8 3
9 1 2 . . . . . . . . . 4 GLY HN parsed_1jc8 3
10 1 1 . . . . . . . . . 5 ASP HA parsed_1jc8 3
10 1 2 . . . . . . . . . 6 SER HN parsed_1jc8 3
11 1 1 . . . . . . . . . 5 ASP QB parsed_1jc8 3
11 1 2 . . . . . . . . . 6 SER HN parsed_1jc8 3
12 1 1 . . . . . . . . . 5 ASP QB parsed_1jc8 3
12 1 2 . . . . . . . . . 11 DAP HG parsed_1jc8 3
13 1 1 . . . . . . . . . 6 SER HN parsed_1jc8 3
13 1 2 . . . . . . . . . 7 GLY HN parsed_1jc8 3
14 1 1 . . . . . . . . . 6 SER HN parsed_1jc8 3
14 1 2 . . . . . . . . . 8 LYS HN parsed_1jc8 3
15 1 1 . . . . . . . . . 6 SER QB parsed_1jc8 3
15 1 2 . . . . . . . . . 7 GLY HN parsed_1jc8 3
16 1 1 . . . . . . . . . 7 GLY HN parsed_1jc8 3
16 1 2 . . . . . . . . . 8 LYS HN parsed_1jc8 3
17 1 1 . . . . . . . . . 7 GLY QA parsed_1jc8 3
17 1 2 . . . . . . . . . 8 LYS HN parsed_1jc8 3
18 1 1 . . . . . . . . . 8 LYS HN parsed_1jc8 3
18 1 2 . . . . . . . . . 9 LEU HN parsed_1jc8 3
19 1 1 . . . . . . . . . 8 LYS HA parsed_1jc8 3
19 1 2 . . . . . . . . . 9 LEU HN parsed_1jc8 3
20 1 1 . . . . . . . . . 8 LYS QB parsed_1jc8 3
20 1 2 . . . . . . . . . 9 LEU HN parsed_1jc8 3
21 1 1 . . . . . . . . . 8 LYS QB parsed_1jc8 3
21 1 2 . . . . . . . . . 10 ILE HN parsed_1jc8 3
22 1 1 . . . . . . . . . 9 LEU HN parsed_1jc8 3
22 1 2 . . . . . . . . . 10 ILE HN parsed_1jc8 3
23 1 1 . . . . . . . . . 10 ILE HN parsed_1jc8 3
23 1 2 . . . . . . . . . 11 DAP HN parsed_1jc8 3
24 1 1 . . . . . . . . . 10 ILE HA parsed_1jc8 3
24 1 2 . . . . . . . . . 11 DAP HN parsed_1jc8 3
25 1 1 . . . . . . . . . 10 ILE HB parsed_1jc8 3
25 1 2 . . . . . . . . . 11 DAP HN parsed_1jc8 3
26 1 1 . . . . . . . . . 10 ILE QG2 parsed_1jc8 3
26 1 2 . . . . . . . . . 11 DAP HN parsed_1jc8 3
27 1 1 . . . . . . . . . 10 ILE QG1 parsed_1jc8 3
27 1 2 . . . . . . . . . 11 DAP HN parsed_1jc8 3
28 1 1 . . . . . . . . . 10 ILE QD1 parsed_1jc8 3
28 1 2 . . . . . . . . . 11 DAP HN parsed_1jc8 3
29 1 1 . . . . . . . . . 10 ILE QD1 parsed_1jc8 3
29 1 2 . . . . . . . . . 12 THR HN parsed_1jc8 3
30 1 1 . . . . . . . . . 11 DAP HA parsed_1jc8 3
30 1 2 . . . . . . . . . 11 DAP HG parsed_1jc8 3
31 1 1 . . . . . . . . . 11 DAP QB parsed_1jc8 3
31 1 2 . . . . . . . . . 11 DAP HG parsed_1jc8 3
32 1 1 . . . . . . . . . 11 DAP HN parsed_1jc8 3
32 1 2 . . . . . . . . . 11 DAP HG parsed_1jc8 3
33 1 1 . . . . . . . . . 11 DAP HN parsed_1jc8 3
33 1 2 . . . . . . . . . 12 THR HN parsed_1jc8 3
34 1 1 . . . . . . . . . 11 DAP HA parsed_1jc8 3
34 1 2 . . . . . . . . . 12 THR HN parsed_1jc8 3
35 1 1 . . . . . . . . . 11 DAP QB parsed_1jc8 3
35 1 2 . . . . . . . . . 13 THR HN parsed_1jc8 3
36 1 1 . . . . . . . . . 11 DAP QB parsed_1jc8 3
36 1 2 . . . . . . . . . 12 THR HN parsed_1jc8 3
37 1 1 . . . . . . . . . 12 THR HN parsed_1jc8 3
37 1 2 . . . . . . . . . 13 THR HN parsed_1jc8 3
38 1 1 . . . . . . . . . 12 THR HA parsed_1jc8 3
38 1 2 . . . . . . . . . 13 THR HN parsed_1jc8 3
39 1 1 . . . . . . . . . 13 THR HN parsed_1jc8 3
39 1 2 . . . . . . . . . 14 ALA HN parsed_1jc8 3
40 1 1 . . . . . . . . . 13 THR HB parsed_1jc8 3
40 1 2 . . . . . . . . . 14 ALA HN parsed_1jc8 3
41 1 1 . . . . . . . . . 13 THR QG2 parsed_1jc8 3
41 1 2 . . . . . . . . . 14 ALA HN parsed_1jc8 3
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 . . . . . . 2.80 . parsed_1jc8 3
2 1 . . . . . . 2.80 . parsed_1jc8 3
3 1 . . . . . . 2.80 . parsed_1jc8 3
4 1 . . . . . . 3.80 . parsed_1jc8 3
5 1 . . . . . . 2.80 . parsed_1jc8 3
6 1 . . . . . . 2.80 . parsed_1jc8 3
7 1 . . . . . . 2.80 . parsed_1jc8 3
8 1 . . . . . . 3.80 . parsed_1jc8 3
9 1 . . . . . . 3.80 . parsed_1jc8 3
10 1 . . . . . . 2.80 . parsed_1jc8 3
11 1 . . . . . . 2.80 . parsed_1jc8 3
12 1 . . . . . . 2.80 . parsed_1jc8 3
13 1 . . . . . . 2.80 . parsed_1jc8 3
14 1 . . . . . . 3.80 . parsed_1jc8 3
15 1 . . . . . . 2.80 . parsed_1jc8 3
16 1 . . . . . . 1.80 . parsed_1jc8 3
17 1 . . . . . . 2.80 . parsed_1jc8 3
18 1 . . . . . . 1.80 . parsed_1jc8 3
19 1 . . . . . . 2.80 . parsed_1jc8 3
20 1 . . . . . . 2.80 . parsed_1jc8 3
21 1 . . . . . . 3.80 . parsed_1jc8 3
22 1 . . . . . . 1.80 . parsed_1jc8 3
23 1 . . . . . . 3.80 . parsed_1jc8 3
24 1 . . . . . . 1.80 . parsed_1jc8 3
25 1 . . . . . . 3.80 . parsed_1jc8 3
26 1 . . . . . . 3.80 . parsed_1jc8 3
27 1 . . . . . . 3.80 . parsed_1jc8 3
28 1 . . . . . . 3.80 . parsed_1jc8 3
29 1 . . . . . . 3.80 . parsed_1jc8 3
30 1 . . . . . . 2.80 . parsed_1jc8 3
31 1 . . . . . . 2.80 . parsed_1jc8 3
32 1 . . . . . . 3.80 . parsed_1jc8 3
33 1 . . . . . . 2.80 . parsed_1jc8 3
34 1 . . . . . . 2.80 . parsed_1jc8 3
35 1 . . . . . . 3.80 . parsed_1jc8 3
36 1 . . . . . . 2.80 . parsed_1jc8 3
37 1 . . . . . . 3.20 . parsed_1jc8 3
38 1 . . . . . . 2.20 . parsed_1jc8 3
39 1 . . . . . . 2.80 . parsed_1jc8 3
40 1 . . . . . . 3.80 . parsed_1jc8 3
41 1 . . . . . . 3.80 . parsed_1jc8 3
stop_
save_
save_DYANA/DIANA_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1jc8
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_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_1jc8 4
2 1 . . . parsed_1jc8 4
3 1 . . . parsed_1jc8 4
4 1 . . . parsed_1jc8 4
5 1 . . . parsed_1jc8 4
6 1 . . . parsed_1jc8 4
7 1 . . . parsed_1jc8 4
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 CG parsed_1jc8 4
1 1 2 . . . . . . . . . 11 DAP NG parsed_1jc8 4
2 1 1 . . . . . . . . . 5 ASP CB parsed_1jc8 4
2 1 2 . . . . . . . . . 11 DAP NG parsed_1jc8 4
3 1 1 . . . . . . . . . 5 ASP OD1 parsed_1jc8 4
3 1 2 . . . . . . . . . 11 DAP NG parsed_1jc8 4
4 1 1 . . . . . . . . . 5 ASP CG parsed_1jc8 4
4 1 2 . . . . . . . . . 11 DAP CB parsed_1jc8 4
5 1 1 . . . . . . . . . 5 ASP CG parsed_1jc8 4
5 1 2 . . . . . . . . . 11 DAP HG parsed_1jc8 4
6 1 1 . . . . . . . . . 5 ASP OD1 parsed_1jc8 4
6 1 2 . . . . . . . . . 11 DAP CB parsed_1jc8 4
7 1 1 . . . . . . . . . 5 ASP OD1 parsed_1jc8 4
7 1 2 . . . . . . . . . 11 DAP HG parsed_1jc8 4
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 . . . . . . 1.32 . parsed_1jc8 4
2 1 . . . . . . 2.38 . parsed_1jc8 4
3 1 . . . . . . 2.24 . parsed_1jc8 4
4 1 . . . . . . 2.42 . parsed_1jc8 4
5 1 . . . . . . 2.04 . parsed_1jc8 4
6 1 . . . . . . 2.7 . parsed_1jc8 4
7 1 . . . . . . 3.1 . parsed_1jc8 4
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
5 ASP CB 11 DAP CB 3.78
"5 ASP CB" 11 DAP HG 2.48
;
6 1 7 27 parsed_1jc8 4
stop_
save_
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