NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
34005 |
1j8n   |
5111 | cing | 2-parsed | STAR | entry | full | 164 |
data_1j8n_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1j8n
_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_1j8n 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1j8n
_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 1j8n "Master copy" parsed_1j8n
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1j8n
_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 1j8n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1j8n 1
1 1j8n.mr . . DYANA/DIANA 2 distance NOE simple 79 parsed_1j8n 1
1 1j8n.mr . . DYANA/DIANA 3 distance "disulfide bond" simple 3 parsed_1j8n 1
1 1j8n.mr . . DYANA/DIANA 4 distance NOE simple 79 parsed_1j8n 1
1 1j8n.mr . . DYANA/DIANA 5 distance "disulfide bond" simple 3 parsed_1j8n 1
1 1j8n.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1j8n 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_1j8n
_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 22-MAY-01 1J8N
*TITLE SOLUTION STRUCTURE OF BETA3-ANALOGUE PEPTIDE CORRESPONDING
*TITLE 2 TO THE GP41 600-612 LOOP OF HIV.
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: HIV1 GP41 HSER ANALOGUE PEPTIDE ACE-ILE-TRP-GLY-
*COMPND 3 CYS-BETA3SER-GLY-LYS-LEU-ILE-CYS-THR-THR-ALA;
*COMPND 4 CHAIN: A;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THE PARENT SEQUENCE IWGCSGKLICTTA OCCURS IN
*SOURCE 4 HIV GP41 PROTEIN. THIS ANALOGUE CONTAINS A MODIFIED
*SOURCE 5 RESIDUE BSE WHICH IS A BETA3-SER (I.E. WITH AN ADDITIONAL
*SOURCE 6 CH2 BETWEEN NH AND CALPHA).
*KEYWDS BETA PEPTIDE, GP41, CYCLIC PEPTIDE
*EXPDTA NMR, 27 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 1J8N 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1j8n
_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_1j8n 1
2 1 . . . parsed_1j8n 1
3 1 . . . parsed_1j8n 1
4 1 . . . parsed_1j8n 1
5 1 . . . parsed_1j8n 1
6 1 . . . parsed_1j8n 1
7 1 . . . parsed_1j8n 1
8 1 . . . parsed_1j8n 1
9 1 . . . parsed_1j8n 1
10 1 . . . parsed_1j8n 1
11 1 . . . parsed_1j8n 1
12 1 . . . parsed_1j8n 1
13 1 . . . parsed_1j8n 1
14 1 . . . parsed_1j8n 1
15 1 . . . parsed_1j8n 1
16 1 . . . parsed_1j8n 1
17 1 . . . parsed_1j8n 1
18 1 . . . parsed_1j8n 1
19 1 . . . parsed_1j8n 1
20 1 . . . parsed_1j8n 1
21 1 . . . parsed_1j8n 1
22 1 . . . parsed_1j8n 1
23 1 . . . parsed_1j8n 1
24 1 . . . parsed_1j8n 1
25 1 . . . parsed_1j8n 1
26 1 . . . parsed_1j8n 1
27 1 . . . parsed_1j8n 1
28 1 . . . parsed_1j8n 1
29 1 . . . parsed_1j8n 1
30 1 . . . parsed_1j8n 1
31 1 . . . parsed_1j8n 1
32 1 . . . parsed_1j8n 1
33 1 . . . parsed_1j8n 1
34 1 . . . parsed_1j8n 1
35 1 . . . parsed_1j8n 1
36 1 . . . parsed_1j8n 1
37 1 . . . parsed_1j8n 1
38 1 . . . parsed_1j8n 1
39 1 . . . parsed_1j8n 1
40 1 . . . parsed_1j8n 1
41 1 . . . parsed_1j8n 1
42 1 . . . parsed_1j8n 1
43 1 . . . parsed_1j8n 1
44 1 . . . parsed_1j8n 1
45 1 . . . parsed_1j8n 1
46 1 . . . parsed_1j8n 1
47 1 . . . parsed_1j8n 1
48 1 . . . parsed_1j8n 1
49 1 . . . parsed_1j8n 1
50 1 . . . parsed_1j8n 1
51 1 . . . parsed_1j8n 1
52 1 . . . parsed_1j8n 1
53 1 . . . parsed_1j8n 1
54 1 . . . parsed_1j8n 1
55 1 . . . parsed_1j8n 1
56 1 . . . parsed_1j8n 1
57 1 . . . parsed_1j8n 1
58 1 . . . parsed_1j8n 1
59 1 . . . parsed_1j8n 1
60 1 . . . parsed_1j8n 1
61 1 . . . parsed_1j8n 1
62 1 . . . parsed_1j8n 1
63 1 . . . parsed_1j8n 1
64 1 . . . parsed_1j8n 1
65 1 . . . parsed_1j8n 1
66 1 . . . parsed_1j8n 1
67 1 . . . parsed_1j8n 1
68 1 . . . parsed_1j8n 1
69 1 . . . parsed_1j8n 1
70 1 . . . parsed_1j8n 1
71 1 . . . parsed_1j8n 1
72 1 . . . parsed_1j8n 1
73 1 . . . parsed_1j8n 1
74 1 . . . parsed_1j8n 1
75 1 . . . parsed_1j8n 1
76 1 . . . parsed_1j8n 1
77 1 . . . parsed_1j8n 1
78 1 . . . parsed_1j8n 1
79 1 . . . parsed_1j8n 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_1j8n 1
1 1 2 . . . . . . . . . 2 ILE HA parsed_1j8n 1
2 1 1 . . . . . . . . . 2 ILE HN parsed_1j8n 1
2 1 2 . . . . . . . . . 2 ILE HB parsed_1j8n 1
3 1 1 . . . . . . . . . 2 ILE HA parsed_1j8n 1
3 1 2 . . . . . . . . . 3 TRP HN parsed_1j8n 1
4 1 1 . . . . . . . . . 2 ILE HB parsed_1j8n 1
4 1 2 . . . . . . . . . 3 TRP HN parsed_1j8n 1
5 1 1 . . . . . . . . . 2 ILE QD1 parsed_1j8n 1
5 1 2 . . . . . . . . . 3 TRP HN parsed_1j8n 1
6 1 1 . . . . . . . . . 3 TRP HN parsed_1j8n 1
6 1 2 . . . . . . . . . 3 TRP HA parsed_1j8n 1
7 1 1 . . . . . . . . . 3 TRP HN parsed_1j8n 1
7 1 2 . . . . . . . . . 3 TRP QB parsed_1j8n 1
8 1 1 . . . . . . . . . 3 TRP HN parsed_1j8n 1
8 1 2 . . . . . . . . . 3 TRP HD1 parsed_1j8n 1
9 1 1 . . . . . . . . . 3 TRP HA parsed_1j8n 1
9 1 2 . . . . . . . . . 4 GLY HN parsed_1j8n 1
10 1 1 . . . . . . . . . 3 TRP QB parsed_1j8n 1
10 1 2 . . . . . . . . . 4 GLY HN parsed_1j8n 1
11 1 1 . . . . . . . . . 4 GLY HN parsed_1j8n 1
11 1 2 . . . . . . . . . 4 GLY QA parsed_1j8n 1
12 1 1 . . . . . . . . . 4 GLY QA parsed_1j8n 1
12 1 2 . . . . . . . . . 5 CYSS HN parsed_1j8n 1
13 1 1 . . . . . . . . . 4 GLY QA parsed_1j8n 1
13 1 2 . . . . . . . . . 5 CYSS QB parsed_1j8n 1
14 1 1 . . . . . . . . . 5 CYSS HN parsed_1j8n 1
14 1 2 . . . . . . . . . 5 CYSS HA parsed_1j8n 1
15 1 1 . . . . . . . . . 5 CYSS HN parsed_1j8n 1
15 1 2 . . . . . . . . . 5 CYSS QB parsed_1j8n 1
16 1 1 . . . . . . . . . 5 CYSS HA parsed_1j8n 1
16 1 2 . . . . . . . . . 6 SERB HN parsed_1j8n 1
17 1 1 . . . . . . . . . 5 CYSS QB parsed_1j8n 1
17 1 2 . . . . . . . . . 6 SERB HN parsed_1j8n 1
18 1 1 . . . . . . . . . 5 CYSS QB parsed_1j8n 1
18 1 2 . . . . . . . . . 7 GLY QA parsed_1j8n 1
19 1 1 . . . . . . . . . 5 CYSS QB parsed_1j8n 1
19 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 1
20 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 1
20 1 2 . . . . . . . . . 6 SERB QB parsed_1j8n 1
21 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 1
21 1 2 . . . . . . . . . 6 SERB HG1 parsed_1j8n 1
22 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 1
22 1 2 . . . . . . . . . 6 SERB QC parsed_1j8n 1
23 1 1 . . . . . . . . . 6 SERB HA parsed_1j8n 1
23 1 2 . . . . . . . . . 7 GLY HN parsed_1j8n 1
24 1 1 . . . . . . . . . 6 SERB QB parsed_1j8n 1
24 1 2 . . . . . . . . . 7 GLY HN parsed_1j8n 1
25 1 1 . . . . . . . . . 6 SERB QC parsed_1j8n 1
25 1 2 . . . . . . . . . 7 GLY HN parsed_1j8n 1
26 1 1 . . . . . . . . . 6 SERB QC parsed_1j8n 1
26 1 2 . . . . . . . . . 7 GLY QA parsed_1j8n 1
27 1 1 . . . . . . . . . 7 GLY HN parsed_1j8n 1
27 1 2 . . . . . . . . . 8 LYS HN parsed_1j8n 1
28 1 1 . . . . . . . . . 7 GLY HN parsed_1j8n 1
28 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 1
29 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 1
29 1 2 . . . . . . . . . 8 LYS HN parsed_1j8n 1
30 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 1
30 1 2 . . . . . . . . . 8 LYS QB parsed_1j8n 1
31 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 1
31 1 2 . . . . . . . . . 8 LYS QD parsed_1j8n 1
32 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 1
32 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 1
33 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 1
33 1 2 . . . . . . . . . 9 LEU QB parsed_1j8n 1
34 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 1
34 1 2 . . . . . . . . . 9 LEU QD2 parsed_1j8n 1
35 1 1 . . . . . . . . . 8 LYS HN parsed_1j8n 1
35 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 1
36 1 1 . . . . . . . . . 8 LYS HN parsed_1j8n 1
36 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 1
37 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 1
37 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 1
38 1 1 . . . . . . . . . 8 LYS HA parsed_1j8n 1
38 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 1
39 1 1 . . . . . . . . . 8 LYS QB parsed_1j8n 1
39 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 1
40 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 1
40 1 2 . . . . . . . . . 9 LEU HA parsed_1j8n 1
41 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 1
41 1 2 . . . . . . . . . 9 LEU QB parsed_1j8n 1
42 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 1
42 1 2 . . . . . . . . . 9 LEU QD1 parsed_1j8n 1
43 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 1
43 1 2 . . . . . . . . . 9 LEU QD2 parsed_1j8n 1
44 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 1
44 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 1
45 1 1 . . . . . . . . . 9 LEU HA parsed_1j8n 1
45 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 1
46 1 1 . . . . . . . . . 9 LEU QB parsed_1j8n 1
46 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 1
47 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 1
47 1 2 . . . . . . . . . 10 ILE HA parsed_1j8n 1
48 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 1
48 1 2 . . . . . . . . . 10 ILE HB parsed_1j8n 1
49 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 1
49 1 2 . . . . . . . . . 10 ILE QG2 parsed_1j8n 1
50 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 1
50 1 2 . . . . . . . . . 10 ILE QG1 parsed_1j8n 1
51 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 1
51 1 2 . . . . . . . . . 10 ILE QD1 parsed_1j8n 1
52 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 1
52 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 1
53 1 1 . . . . . . . . . 10 ILE HA parsed_1j8n 1
53 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 1
54 1 1 . . . . . . . . . 10 ILE HA parsed_1j8n 1
54 1 2 . . . . . . . . . 11 CYSS QB parsed_1j8n 1
55 1 1 . . . . . . . . . 10 ILE HB parsed_1j8n 1
55 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 1
56 1 1 . . . . . . . . . 10 ILE QG2 parsed_1j8n 1
56 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 1
57 1 1 . . . . . . . . . 10 ILE QG2 parsed_1j8n 1
57 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 1
58 1 1 . . . . . . . . . 10 ILE QG1 parsed_1j8n 1
58 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 1
59 1 1 . . . . . . . . . 10 ILE QD1 parsed_1j8n 1
59 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 1
60 1 1 . . . . . . . . . 10 ILE QD1 parsed_1j8n 1
60 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 1
61 1 1 . . . . . . . . . 10 ILE QD1 parsed_1j8n 1
61 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 1
62 1 1 . . . . . . . . . 11 CYSS HN parsed_1j8n 1
62 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 1
63 1 1 . . . . . . . . . 11 CYSS HN parsed_1j8n 1
63 1 2 . . . . . . . . . 11 CYSS QB parsed_1j8n 1
64 1 1 . . . . . . . . . 11 CYSS HN parsed_1j8n 1
64 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 1
65 1 1 . . . . . . . . . 11 CYSS HA parsed_1j8n 1
65 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 1
66 1 1 . . . . . . . . . 11 CYSS QB parsed_1j8n 1
66 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 1
67 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 1
67 1 2 . . . . . . . . . 12 THR HA parsed_1j8n 1
68 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 1
68 1 2 . . . . . . . . . 12 THR HB parsed_1j8n 1
69 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 1
69 1 2 . . . . . . . . . 12 THR QG2 parsed_1j8n 1
70 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 1
70 1 2 . . . . . . . . . 12 THR HG1 parsed_1j8n 1
71 1 1 . . . . . . . . . 12 THR HA parsed_1j8n 1
71 1 2 . . . . . . . . . 13 THR HN parsed_1j8n 1
72 1 1 . . . . . . . . . 12 THR HG1 parsed_1j8n 1
72 1 2 . . . . . . . . . 13 THR HG1 parsed_1j8n 1
73 1 1 . . . . . . . . . 12 THR HG1 parsed_1j8n 1
73 1 2 . . . . . . . . . 14 ALA HN parsed_1j8n 1
74 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 1
74 1 2 . . . . . . . . . 13 THR HA parsed_1j8n 1
75 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 1
75 1 2 . . . . . . . . . 13 THR HB parsed_1j8n 1
76 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 1
76 1 2 . . . . . . . . . 13 THR QG2 parsed_1j8n 1
77 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 1
77 1 2 . . . . . . . . . 13 THR HG1 parsed_1j8n 1
78 1 1 . . . . . . . . . 13 THR QG2 parsed_1j8n 1
78 1 2 . . . . . . . . . 14 ALA HN parsed_1j8n 1
79 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 1
79 1 2 . . . . . . . . . 14 ALA HN parsed_1j8n 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_1j8n 1
2 1 . . . . . . . 3.80 parsed_1j8n 1
3 1 . . . . . . . 2.80 parsed_1j8n 1
4 1 . . . . . . . 5.50 parsed_1j8n 1
5 1 . . . . . . . 5.50 parsed_1j8n 1
6 1 . . . . . . . 3.80 parsed_1j8n 1
7 1 . . . . . . . 4.05 parsed_1j8n 1
8 1 . . . . . . . 5.50 parsed_1j8n 1
9 1 . . . . . . . 2.80 parsed_1j8n 1
10 1 . . . . . . . 4.17 parsed_1j8n 1
11 1 . . . . . . . 3.95 parsed_1j8n 1
12 1 . . . . . . . 3.80 parsed_1j8n 1
13 1 . . . . . . . 5.50 parsed_1j8n 1
14 1 . . . . . . . 3.80 parsed_1j8n 1
15 1 . . . . . . . 3.83 parsed_1j8n 1
16 1 . . . . . . . 2.80 parsed_1j8n 1
17 1 . . . . . . . 3.80 parsed_1j8n 1
18 1 . . . . . . . 5.66 parsed_1j8n 1
19 1 . . . . . . . 4.66 parsed_1j8n 1
20 1 . . . . . . . 4.05 parsed_1j8n 1
21 1 . . . . . . . 5.50 parsed_1j8n 1
22 1 . . . . . . . 4.39 parsed_1j8n 1
23 1 . . . . . . . 3.80 parsed_1j8n 1
24 1 . . . . . . . 5.50 parsed_1j8n 1
25 1 . . . . . . . 3.56 parsed_1j8n 1
26 1 . . . . . . . 6.38 parsed_1j8n 1
27 1 . . . . . . . 3.80 parsed_1j8n 1
28 1 . . . . . . . 5.50 parsed_1j8n 1
29 1 . . . . . . . 3.80 parsed_1j8n 1
30 1 . . . . . . . 7.13 parsed_1j8n 1
31 1 . . . . . . . 7.25 parsed_1j8n 1
32 1 . . . . . . . 5.50 parsed_1j8n 1
33 1 . . . . . . . 5.42 parsed_1j8n 1
34 1 . . . . . . . 7.40 parsed_1j8n 1
35 1 . . . . . . . 3.80 parsed_1j8n 1
36 1 . . . . . . . 5.50 parsed_1j8n 1
37 1 . . . . . . . 5.50 parsed_1j8n 1
38 1 . . . . . . . 2.80 parsed_1j8n 1
39 1 . . . . . . . 5.50 parsed_1j8n 1
40 1 . . . . . . . 3.80 parsed_1j8n 1
41 1 . . . . . . . 4.14 parsed_1j8n 1
42 1 . . . . . . . 6.53 parsed_1j8n 1
43 1 . . . . . . . 6.09 parsed_1j8n 1
44 1 . . . . . . . 2.80 parsed_1j8n 1
45 1 . . . . . . . 3.80 parsed_1j8n 1
46 1 . . . . . . . 4.17 parsed_1j8n 1
47 1 . . . . . . . 3.80 parsed_1j8n 1
48 1 . . . . . . . 3.80 parsed_1j8n 1
49 1 . . . . . . . 5.50 parsed_1j8n 1
50 1 . . . . . . . 6.19 parsed_1j8n 1
51 1 . . . . . . . 5.50 parsed_1j8n 1
52 1 . . . . . . . 3.80 parsed_1j8n 1
53 1 . . . . . . . 2.80 parsed_1j8n 1
54 1 . . . . . . . 4.98 parsed_1j8n 1
55 1 . . . . . . . 5.50 parsed_1j8n 1
56 1 . . . . . . . 6.00 parsed_1j8n 1
57 1 . . . . . . . 6.53 parsed_1j8n 1
58 1 . . . . . . . 6.38 parsed_1j8n 1
59 1 . . . . . . . 4.95 parsed_1j8n 1
60 1 . . . . . . . 6.53 parsed_1j8n 1
61 1 . . . . . . . 5.50 parsed_1j8n 1
62 1 . . . . . . . 3.80 parsed_1j8n 1
63 1 . . . . . . . 3.74 parsed_1j8n 1
64 1 . . . . . . . 3.80 parsed_1j8n 1
65 1 . . . . . . . 3.80 parsed_1j8n 1
66 1 . . . . . . . 4.17 parsed_1j8n 1
67 1 . . . . . . . 2.80 parsed_1j8n 1
68 1 . . . . . . . 3.80 parsed_1j8n 1
69 1 . . . . . . . 5.50 parsed_1j8n 1
70 1 . . . . . . . 5.50 parsed_1j8n 1
71 1 . . . . . . . 2.80 parsed_1j8n 1
72 1 . . . . . . . 5.50 parsed_1j8n 1
73 1 . . . . . . . 5.50 parsed_1j8n 1
74 1 . . . . . . . 2.80 parsed_1j8n 1
75 1 . . . . . . . 3.80 parsed_1j8n 1
76 1 . . . . . . . 5.50 parsed_1j8n 1
77 1 . . . . . . . 5.50 parsed_1j8n 1
78 1 . . . . . . . 5.50 parsed_1j8n 1
79 1 . . . . . . . 3.80 parsed_1j8n 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 "THis the constrainst list used for DYANA calculations of HSER analogue of 600-612 loop of HIVgp41." 1 1 1 100 parsed_1j8n 1
2 (Ace-Ile-Trp-Gly-Cys-beta3Ser-Gly-Lys-Leu-Ile-Cys-Thr-Thr-Ala) 2 1 2 64 parsed_1j8n 1
3 "SERB is for beta3-Ser residue" 3 1 3 30 parsed_1j8n 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1j8n
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "disulfide bond"
_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_1j8n 2
2 1 . . . parsed_1j8n 2
3 1 . . . parsed_1j8n 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 CYSS CB parsed_1j8n 2
1 1 2 . . . . . . . . . 11 CYSS SG parsed_1j8n 2
2 1 1 . . . . . . . . . 5 CYSS SG parsed_1j8n 2
2 1 2 . . . . . . . . . 11 CYSS CB parsed_1j8n 2
3 1 1 . . . . . . . . . 5 CYSS SG parsed_1j8n 2
3 1 2 . . . . . . . . . 11 CYSS SG parsed_1j8n 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 . . . . . . . 3.10 parsed_1j8n 2
2 1 . . . . . . . 3.10 parsed_1j8n 2
3 1 . . . . . . . 2.10 parsed_1j8n 2
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1j8n
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_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_1j8n 3
2 1 . . . parsed_1j8n 3
3 1 . . . parsed_1j8n 3
4 1 . . . parsed_1j8n 3
5 1 . . . parsed_1j8n 3
6 1 . . . parsed_1j8n 3
7 1 . . . parsed_1j8n 3
8 1 . . . parsed_1j8n 3
9 1 . . . parsed_1j8n 3
10 1 . . . parsed_1j8n 3
11 1 . . . parsed_1j8n 3
12 1 . . . parsed_1j8n 3
13 1 . . . parsed_1j8n 3
14 1 . . . parsed_1j8n 3
15 1 . . . parsed_1j8n 3
16 1 . . . parsed_1j8n 3
17 1 . . . parsed_1j8n 3
18 1 . . . parsed_1j8n 3
19 1 . . . parsed_1j8n 3
20 1 . . . parsed_1j8n 3
21 1 . . . parsed_1j8n 3
22 1 . . . parsed_1j8n 3
23 1 . . . parsed_1j8n 3
24 1 . . . parsed_1j8n 3
25 1 . . . parsed_1j8n 3
26 1 . . . parsed_1j8n 3
27 1 . . . parsed_1j8n 3
28 1 . . . parsed_1j8n 3
29 1 . . . parsed_1j8n 3
30 1 . . . parsed_1j8n 3
31 1 . . . parsed_1j8n 3
32 1 . . . parsed_1j8n 3
33 1 . . . parsed_1j8n 3
34 1 . . . parsed_1j8n 3
35 1 . . . parsed_1j8n 3
36 1 . . . parsed_1j8n 3
37 1 . . . parsed_1j8n 3
38 1 . . . parsed_1j8n 3
39 1 . . . parsed_1j8n 3
40 1 . . . parsed_1j8n 3
41 1 . . . parsed_1j8n 3
42 1 . . . parsed_1j8n 3
43 1 . . . parsed_1j8n 3
44 1 . . . parsed_1j8n 3
45 1 . . . parsed_1j8n 3
46 1 . . . parsed_1j8n 3
47 1 . . . parsed_1j8n 3
48 1 . . . parsed_1j8n 3
49 1 . . . parsed_1j8n 3
50 1 . . . parsed_1j8n 3
51 1 . . . parsed_1j8n 3
52 1 . . . parsed_1j8n 3
53 1 . . . parsed_1j8n 3
54 1 . . . parsed_1j8n 3
55 1 . . . parsed_1j8n 3
56 1 . . . parsed_1j8n 3
57 1 . . . parsed_1j8n 3
58 1 . . . parsed_1j8n 3
59 1 . . . parsed_1j8n 3
60 1 . . . parsed_1j8n 3
61 1 . . . parsed_1j8n 3
62 1 . . . parsed_1j8n 3
63 1 . . . parsed_1j8n 3
64 1 . . . parsed_1j8n 3
65 1 . . . parsed_1j8n 3
66 1 . . . parsed_1j8n 3
67 1 . . . parsed_1j8n 3
68 1 . . . parsed_1j8n 3
69 1 . . . parsed_1j8n 3
70 1 . . . parsed_1j8n 3
71 1 . . . parsed_1j8n 3
72 1 . . . parsed_1j8n 3
73 1 . . . parsed_1j8n 3
74 1 . . . parsed_1j8n 3
75 1 . . . parsed_1j8n 3
76 1 . . . parsed_1j8n 3
77 1 . . . parsed_1j8n 3
78 1 . . . parsed_1j8n 3
79 1 . . . parsed_1j8n 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_1j8n 3
1 1 2 . . . . . . . . . 2 ILE HA parsed_1j8n 3
2 1 1 . . . . . . . . . 2 ILE HN parsed_1j8n 3
2 1 2 . . . . . . . . . 2 ILE HB parsed_1j8n 3
3 1 1 . . . . . . . . . 2 ILE HA parsed_1j8n 3
3 1 2 . . . . . . . . . 3 TRP HN parsed_1j8n 3
4 1 1 . . . . . . . . . 2 ILE HB parsed_1j8n 3
4 1 2 . . . . . . . . . 3 TRP HN parsed_1j8n 3
5 1 1 . . . . . . . . . 2 ILE QD1 parsed_1j8n 3
5 1 2 . . . . . . . . . 3 TRP HN parsed_1j8n 3
6 1 1 . . . . . . . . . 3 TRP HN parsed_1j8n 3
6 1 2 . . . . . . . . . 3 TRP HA parsed_1j8n 3
7 1 1 . . . . . . . . . 3 TRP HN parsed_1j8n 3
7 1 2 . . . . . . . . . 3 TRP QB parsed_1j8n 3
8 1 1 . . . . . . . . . 3 TRP HN parsed_1j8n 3
8 1 2 . . . . . . . . . 3 TRP HD1 parsed_1j8n 3
9 1 1 . . . . . . . . . 3 TRP HA parsed_1j8n 3
9 1 2 . . . . . . . . . 4 GLY HN parsed_1j8n 3
10 1 1 . . . . . . . . . 3 TRP QB parsed_1j8n 3
10 1 2 . . . . . . . . . 4 GLY HN parsed_1j8n 3
11 1 1 . . . . . . . . . 4 GLY HN parsed_1j8n 3
11 1 2 . . . . . . . . . 4 GLY QA parsed_1j8n 3
12 1 1 . . . . . . . . . 4 GLY QA parsed_1j8n 3
12 1 2 . . . . . . . . . 5 CYSS HN parsed_1j8n 3
13 1 1 . . . . . . . . . 4 GLY QA parsed_1j8n 3
13 1 2 . . . . . . . . . 5 CYSS QB parsed_1j8n 3
14 1 1 . . . . . . . . . 5 CYSS HN parsed_1j8n 3
14 1 2 . . . . . . . . . 5 CYSS HA parsed_1j8n 3
15 1 1 . . . . . . . . . 5 CYSS HN parsed_1j8n 3
15 1 2 . . . . . . . . . 5 CYSS QB parsed_1j8n 3
16 1 1 . . . . . . . . . 5 CYSS HA parsed_1j8n 3
16 1 2 . . . . . . . . . 6 SERB HN parsed_1j8n 3
17 1 1 . . . . . . . . . 5 CYSS QB parsed_1j8n 3
17 1 2 . . . . . . . . . 6 SERB HN parsed_1j8n 3
18 1 1 . . . . . . . . . 5 CYSS QB parsed_1j8n 3
18 1 2 . . . . . . . . . 7 GLY QA parsed_1j8n 3
19 1 1 . . . . . . . . . 5 CYSS QB parsed_1j8n 3
19 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 3
20 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 3
20 1 2 . . . . . . . . . 6 SERB QB parsed_1j8n 3
21 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 3
21 1 2 . . . . . . . . . 6 SERB HG1 parsed_1j8n 3
22 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 3
22 1 2 . . . . . . . . . 6 SERB QC parsed_1j8n 3
23 1 1 . . . . . . . . . 6 SERB HA parsed_1j8n 3
23 1 2 . . . . . . . . . 7 GLY HN parsed_1j8n 3
24 1 1 . . . . . . . . . 6 SERB QB parsed_1j8n 3
24 1 2 . . . . . . . . . 7 GLY HN parsed_1j8n 3
25 1 1 . . . . . . . . . 6 SERB QC parsed_1j8n 3
25 1 2 . . . . . . . . . 7 GLY HN parsed_1j8n 3
26 1 1 . . . . . . . . . 6 SERB QC parsed_1j8n 3
26 1 2 . . . . . . . . . 7 GLY QA parsed_1j8n 3
27 1 1 . . . . . . . . . 7 GLY HN parsed_1j8n 3
27 1 2 . . . . . . . . . 8 LYS HN parsed_1j8n 3
28 1 1 . . . . . . . . . 7 GLY HN parsed_1j8n 3
28 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 3
29 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 3
29 1 2 . . . . . . . . . 8 LYS HN parsed_1j8n 3
30 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 3
30 1 2 . . . . . . . . . 8 LYS QB parsed_1j8n 3
31 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 3
31 1 2 . . . . . . . . . 8 LYS QD parsed_1j8n 3
32 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 3
32 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 3
33 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 3
33 1 2 . . . . . . . . . 9 LEU QB parsed_1j8n 3
34 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 3
34 1 2 . . . . . . . . . 9 LEU QD2 parsed_1j8n 3
35 1 1 . . . . . . . . . 8 LYS HN parsed_1j8n 3
35 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 3
36 1 1 . . . . . . . . . 8 LYS HN parsed_1j8n 3
36 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 3
37 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 3
37 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 3
38 1 1 . . . . . . . . . 8 LYS HA parsed_1j8n 3
38 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 3
39 1 1 . . . . . . . . . 8 LYS QB parsed_1j8n 3
39 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 3
40 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 3
40 1 2 . . . . . . . . . 9 LEU HA parsed_1j8n 3
41 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 3
41 1 2 . . . . . . . . . 9 LEU QB parsed_1j8n 3
42 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 3
42 1 2 . . . . . . . . . 9 LEU QD1 parsed_1j8n 3
43 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 3
43 1 2 . . . . . . . . . 9 LEU QD2 parsed_1j8n 3
44 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 3
44 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 3
45 1 1 . . . . . . . . . 9 LEU HA parsed_1j8n 3
45 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 3
46 1 1 . . . . . . . . . 9 LEU QB parsed_1j8n 3
46 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 3
47 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 3
47 1 2 . . . . . . . . . 10 ILE HA parsed_1j8n 3
48 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 3
48 1 2 . . . . . . . . . 10 ILE HB parsed_1j8n 3
49 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 3
49 1 2 . . . . . . . . . 10 ILE QG2 parsed_1j8n 3
50 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 3
50 1 2 . . . . . . . . . 10 ILE QG1 parsed_1j8n 3
51 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 3
51 1 2 . . . . . . . . . 10 ILE QD1 parsed_1j8n 3
52 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 3
52 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 3
53 1 1 . . . . . . . . . 10 ILE HA parsed_1j8n 3
53 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 3
54 1 1 . . . . . . . . . 10 ILE HA parsed_1j8n 3
54 1 2 . . . . . . . . . 11 CYSS QB parsed_1j8n 3
55 1 1 . . . . . . . . . 10 ILE HB parsed_1j8n 3
55 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 3
56 1 1 . . . . . . . . . 10 ILE QG2 parsed_1j8n 3
56 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 3
57 1 1 . . . . . . . . . 10 ILE QG2 parsed_1j8n 3
57 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 3
58 1 1 . . . . . . . . . 10 ILE QG1 parsed_1j8n 3
58 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 3
59 1 1 . . . . . . . . . 10 ILE QD1 parsed_1j8n 3
59 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 3
60 1 1 . . . . . . . . . 10 ILE QD1 parsed_1j8n 3
60 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 3
61 1 1 . . . . . . . . . 10 ILE QD1 parsed_1j8n 3
61 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 3
62 1 1 . . . . . . . . . 11 CYSS HN parsed_1j8n 3
62 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 3
63 1 1 . . . . . . . . . 11 CYSS HN parsed_1j8n 3
63 1 2 . . . . . . . . . 11 CYSS QB parsed_1j8n 3
64 1 1 . . . . . . . . . 11 CYSS HN parsed_1j8n 3
64 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 3
65 1 1 . . . . . . . . . 11 CYSS HA parsed_1j8n 3
65 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 3
66 1 1 . . . . . . . . . 11 CYSS QB parsed_1j8n 3
66 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 3
67 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 3
67 1 2 . . . . . . . . . 12 THR HA parsed_1j8n 3
68 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 3
68 1 2 . . . . . . . . . 12 THR HB parsed_1j8n 3
69 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 3
69 1 2 . . . . . . . . . 12 THR QG2 parsed_1j8n 3
70 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 3
70 1 2 . . . . . . . . . 12 THR HG1 parsed_1j8n 3
71 1 1 . . . . . . . . . 12 THR HA parsed_1j8n 3
71 1 2 . . . . . . . . . 13 THR HN parsed_1j8n 3
72 1 1 . . . . . . . . . 12 THR HG1 parsed_1j8n 3
72 1 2 . . . . . . . . . 13 THR HG1 parsed_1j8n 3
73 1 1 . . . . . . . . . 12 THR HG1 parsed_1j8n 3
73 1 2 . . . . . . . . . 14 ALA HN parsed_1j8n 3
74 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 3
74 1 2 . . . . . . . . . 13 THR HA parsed_1j8n 3
75 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 3
75 1 2 . . . . . . . . . 13 THR HB parsed_1j8n 3
76 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 3
76 1 2 . . . . . . . . . 13 THR QG2 parsed_1j8n 3
77 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 3
77 1 2 . . . . . . . . . 13 THR HG1 parsed_1j8n 3
78 1 1 . . . . . . . . . 13 THR QG2 parsed_1j8n 3
78 1 2 . . . . . . . . . 14 ALA HN parsed_1j8n 3
79 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 3
79 1 2 . . . . . . . . . 14 ALA HN parsed_1j8n 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_1j8n 3
2 1 . . . . . . 2.80 . parsed_1j8n 3
3 1 . . . . . . 1.80 . parsed_1j8n 3
4 1 . . . . . . 3.80 . parsed_1j8n 3
5 1 . . . . . . 3.80 . parsed_1j8n 3
6 1 . . . . . . 2.80 . parsed_1j8n 3
7 1 . . . . . . 2.71 . parsed_1j8n 3
8 1 . . . . . . 3.80 . parsed_1j8n 3
9 1 . . . . . . 1.80 . parsed_1j8n 3
10 1 . . . . . . 3.08 . parsed_1j8n 3
11 1 . . . . . . 2.05 . parsed_1j8n 3
12 1 . . . . . . 2.80 . parsed_1j8n 3
13 1 . . . . . . 3.80 . parsed_1j8n 3
14 1 . . . . . . 2.80 . parsed_1j8n 3
15 1 . . . . . . 2.58 . parsed_1j8n 3
16 1 . . . . . . 1.80 . parsed_1j8n 3
17 1 . . . . . . 2.80 . parsed_1j8n 3
18 1 . . . . . . 3.80 . parsed_1j8n 3
19 1 . . . . . . 3.80 . parsed_1j8n 3
20 1 . . . . . . 2.80 . parsed_1j8n 3
21 1 . . . . . . 3.80 . parsed_1j8n 3
22 1 . . . . . . 3.23 . parsed_1j8n 3
23 1 . . . . . . 2.80 . parsed_1j8n 3
24 1 . . . . . . 3.80 . parsed_1j8n 3
25 1 . . . . . . 2.83 . parsed_1j8n 3
26 1 . . . . . . 4.80 . parsed_1j8n 3
27 1 . . . . . . 2.80 . parsed_1j8n 3
28 1 . . . . . . 3.80 . parsed_1j8n 3
29 1 . . . . . . 2.80 . parsed_1j8n 3
30 1 . . . . . . 4.80 . parsed_1j8n 3
31 1 . . . . . . 4.80 . parsed_1j8n 3
32 1 . . . . . . 3.80 . parsed_1j8n 3
33 1 . . . . . . 4.80 . parsed_1j8n 3
34 1 . . . . . . 4.80 . parsed_1j8n 3
35 1 . . . . . . 2.80 . parsed_1j8n 3
36 1 . . . . . . 3.80 . parsed_1j8n 3
37 1 . . . . . . 3.80 . parsed_1j8n 3
38 1 . . . . . . 1.80 . parsed_1j8n 3
39 1 . . . . . . 3.80 . parsed_1j8n 3
40 1 . . . . . . 2.80 . parsed_1j8n 3
41 1 . . . . . . 2.36 . parsed_1j8n 3
42 1 . . . . . . 4.80 . parsed_1j8n 3
43 1 . . . . . . 4.80 . parsed_1j8n 3
44 1 . . . . . . 1.80 . parsed_1j8n 3
45 1 . . . . . . 2.80 . parsed_1j8n 3
46 1 . . . . . . 2.89 . parsed_1j8n 3
47 1 . . . . . . 2.80 . parsed_1j8n 3
48 1 . . . . . . 2.80 . parsed_1j8n 3
49 1 . . . . . . 3.80 . parsed_1j8n 3
50 1 . . . . . . 3.80 . parsed_1j8n 3
51 1 . . . . . . 3.80 . parsed_1j8n 3
52 1 . . . . . . 2.80 . parsed_1j8n 3
53 1 . . . . . . 1.80 . parsed_1j8n 3
54 1 . . . . . . 3.70 . parsed_1j8n 3
55 1 . . . . . . 3.80 . parsed_1j8n 3
56 1 . . . . . . 3.80 . parsed_1j8n 3
57 1 . . . . . . 3.80 . parsed_1j8n 3
58 1 . . . . . . 3.80 . parsed_1j8n 3
59 1 . . . . . . 3.80 . parsed_1j8n 3
60 1 . . . . . . 3.80 . parsed_1j8n 3
61 1 . . . . . . 3.80 . parsed_1j8n 3
62 1 . . . . . . 2.80 . parsed_1j8n 3
63 1 . . . . . . 2.58 . parsed_1j8n 3
64 1 . . . . . . 2.80 . parsed_1j8n 3
65 1 . . . . . . 2.80 . parsed_1j8n 3
66 1 . . . . . . 2.92 . parsed_1j8n 3
67 1 . . . . . . 1.80 . parsed_1j8n 3
68 1 . . . . . . 2.80 . parsed_1j8n 3
69 1 . . . . . . 3.80 . parsed_1j8n 3
70 1 . . . . . . 3.80 . parsed_1j8n 3
71 1 . . . . . . 1.80 . parsed_1j8n 3
72 1 . . . . . . 3.80 . parsed_1j8n 3
73 1 . . . . . . 3.80 . parsed_1j8n 3
74 1 . . . . . . 1.80 . parsed_1j8n 3
75 1 . . . . . . 2.80 . parsed_1j8n 3
76 1 . . . . . . 3.80 . parsed_1j8n 3
77 1 . . . . . . 3.80 . parsed_1j8n 3
78 1 . . . . . . 3.80 . parsed_1j8n 3
79 1 . . . . . . 2.80 . parsed_1j8n 3
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 "Lower limit constraints" 2 1 2 24 parsed_1j8n 3
stop_
save_
save_DYANA/DIANA_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1j8n
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type "disulfide bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_1j8n 4
2 1 . . . parsed_1j8n 4
3 1 . . . parsed_1j8n 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 CYSS CB parsed_1j8n 4
1 1 2 . . . . . . . . . 11 CYSS SG parsed_1j8n 4
2 1 1 . . . . . . . . . 5 CYSS SG parsed_1j8n 4
2 1 2 . . . . . . . . . 11 CYSS CB parsed_1j8n 4
3 1 1 . . . . . . . . . 5 CYSS SG parsed_1j8n 4
3 1 2 . . . . . . . . . 11 CYSS SG parsed_1j8n 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 . . . . . . 3.00 . parsed_1j8n 4
2 1 . . . . . . 3.00 . parsed_1j8n 4
3 1 . . . . . . 2.00 . parsed_1j8n 4
stop_
save_
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