NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
38926 |
1sbu   |
cing | 2-parsed | STAR | entry | full | 82 |
data_1sbu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1sbu
_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_1sbu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1sbu
_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 1sbu "Master copy" parsed_1sbu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1sbu
_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 1sbu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1sbu 1
1 1sbu.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 parsed_1sbu 1
1 1sbu.mr . . DISCOVER 3 stereochemistry chirality "Not applicable" 0 parsed_1sbu 1
1 1sbu.mr . . DISCOVER 4 distance NOE simple 62 parsed_1sbu 1
1 1sbu.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_1sbu 1
1 1sbu.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1sbu 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_1sbu
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER TOXIN 11-FEB-04 1SBU
*TITLE NMR STRUCTURE OF A DELTA CONOTOXIN EVIA1 PEPTIDE ANALOG
*TITLE 2 CONTAINING A DIMETHYLTHIAZOLIDINE
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: DELTA-CONOTOXIN EVIA1;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: RESIDUES 1-11;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THE SOLID PHASE SYNTHESIS OF THE PEPTIDE
*SOURCE 4 WAS CARRIED OUT USING THE FMOC CHEMISTRY
*KEYWDS CIS LEU-(DMT)THIAZOLIDINE AMIDE BOND, DIMETHYL-THIAZOLIDINE,
*KEYWDS 2 VI BETA TURN, NMR SPECTROSCOPY, MOLECULAR DYNAMICS
*KEYWDS 3 SIMULATIONS
*EXPDTA NMR, 10 STRUCTURES
*AUTHOR M.FIGUET, S.CHIERICI, M.JOURDAN, P.DUMY
*REVDAT 1 24-FEB-04 1SBU 0
;
save_
save_Discover_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1sbu
_Distance_constraint_list.ID 1
_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_1sbu 1
2 1 . . . parsed_1sbu 1
3 1 . . . parsed_1sbu 1
4 1 . . . parsed_1sbu 1
5 1 . . . parsed_1sbu 1
6 1 . . . parsed_1sbu 1
7 1 . . . parsed_1sbu 1
8 1 . . . parsed_1sbu 1
9 1 . . . parsed_1sbu 1
10 1 . . . parsed_1sbu 1
11 1 . . . parsed_1sbu 1
12 1 . . . parsed_1sbu 1
13 1 . . . parsed_1sbu 1
14 1 . . . parsed_1sbu 1
15 1 . . . parsed_1sbu 1
16 1 . . . parsed_1sbu 1
17 1 . . . parsed_1sbu 1
18 1 . . . parsed_1sbu 1
19 1 . . . parsed_1sbu 1
20 1 . . . parsed_1sbu 1
21 1 . . . parsed_1sbu 1
22 1 . . . parsed_1sbu 1
23 1 . . . parsed_1sbu 1
24 1 . . . parsed_1sbu 1
25 1 . . . parsed_1sbu 1
26 1 . . . parsed_1sbu 1
27 1 . . . parsed_1sbu 1
28 1 . . . parsed_1sbu 1
29 1 . . . parsed_1sbu 1
30 1 . . . parsed_1sbu 1
31 1 . . . parsed_1sbu 1
32 1 . . . parsed_1sbu 1
33 1 . . . parsed_1sbu 1
34 1 . . . parsed_1sbu 1
35 1 . . . parsed_1sbu 1
36 1 . . . parsed_1sbu 1
37 1 . . . parsed_1sbu 1
38 1 . . . parsed_1sbu 1
39 1 . . . parsed_1sbu 1
40 1 . . . parsed_1sbu 1
41 1 . . . parsed_1sbu 1
42 1 . . . parsed_1sbu 1
43 1 . . . parsed_1sbu 1
44 1 . . . parsed_1sbu 1
45 1 . . . parsed_1sbu 1
46 1 . . . parsed_1sbu 1
47 1 . . . parsed_1sbu 1
48 1 . . . parsed_1sbu 1
49 1 . . . parsed_1sbu 1
50 1 . . . parsed_1sbu 1
51 1 . . . parsed_1sbu 1
52 1 . . . parsed_1sbu 1
53 1 . . . parsed_1sbu 1
54 1 . . . parsed_1sbu 1
55 1 . . . parsed_1sbu 1
56 1 . . . parsed_1sbu 1
57 1 . . . parsed_1sbu 1
58 1 . . . parsed_1sbu 1
59 1 . . . parsed_1sbu 1
60 1 . . . parsed_1sbu 1
61 1 . . . parsed_1sbu 1
62 1 . . . parsed_1sbu 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 . . . . . . . . 1 10 ASN HN parsed_1sbu 1
1 1 2 . . . . . . . . 1 10 ASN HA parsed_1sbu 1
2 1 1 . . . . . . . . 1 11 GLY HN parsed_1sbu 1
2 1 2 . . . . . . . . 1 11 GLY HA* parsed_1sbu 1
3 1 1 . . . . . . . . 1 7 ILE HN parsed_1sbu 1
3 1 2 . . . . . . . . 1 7 ILE HA parsed_1sbu 1
4 1 1 . . . . . . . . 1 9 LYS HN parsed_1sbu 1
4 1 2 . . . . . . . . 1 9 LYS HA parsed_1sbu 1
5 1 1 . . . . . . . . 1 8 LEU HN parsed_1sbu 1
5 1 2 . . . . . . . . 1 8 LEU HA parsed_1sbu 1
6 1 1 . . . . . . . . 1 3 ALA HN parsed_1sbu 1
6 1 2 . . . . . . . . 1 3 ALA HA parsed_1sbu 1
7 1 1 . . . . . . . . 1 2 PHE HN parsed_1sbu 1
7 1 2 . . . . . . . . 1 2 PHE HA parsed_1sbu 1
8 1 1 . . . . . . . . 1 5 LEU HN parsed_1sbu 1
8 1 2 . . . . . . . . 1 5 LEU HA parsed_1sbu 1
9 1 1 . . . . . . . . 1 2 PHE HN parsed_1sbu 1
9 1 2 . . . . . . . . 1 2 PHE HB1 parsed_1sbu 1
10 1 1 . . . . . . . . 1 2 PHE HN parsed_1sbu 1
10 1 2 . . . . . . . . 1 2 PHE HB2 parsed_1sbu 1
11 1 1 . . . . . . . . 1 7 ILE HN parsed_1sbu 1
11 1 2 . . . . . . . . 1 7 ILE HB parsed_1sbu 1
12 1 1 . . . . . . . . 1 7 ILE HN parsed_1sbu 1
12 1 2 . . . . . . . . 1 7 ILE HG2* parsed_1sbu 1
13 1 1 . . . . . . . . 1 9 LYS HN parsed_1sbu 1
13 1 2 . . . . . . . . 1 9 LYS HG* parsed_1sbu 1
14 1 1 . . . . . . . . 1 3 ALA HN parsed_1sbu 1
14 1 2 . . . . . . . . 1 3 ALA HB* parsed_1sbu 1
15 1 1 . . . . . . . . 1 9 LYS HN parsed_1sbu 1
15 1 2 . . . . . . . . 1 9 LYS HB* parsed_1sbu 1
16 1 1 . . . . . . . . 1 8 LEU HN parsed_1sbu 1
16 1 2 . . . . . . . . 1 8 LEU HG parsed_1sbu 1
17 1 1 . . . . . . . . 1 8 LEU HN parsed_1sbu 1
17 1 2 . . . . . . . . 1 8 LEU HB* parsed_1sbu 1
18 1 1 . . . . . . . . 1 5 LEU HN parsed_1sbu 1
18 1 2 . . . . . . . . 1 5 LEU HG parsed_1sbu 1
19 1 1 . . . . . . . . 1 5 LEU HN parsed_1sbu 1
19 1 2 . . . . . . . . 1 5 LEU HB* parsed_1sbu 1
20 1 1 . . . . . . . . 1 10 ASN HN parsed_1sbu 1
20 1 2 . . . . . . . . 1 10 ASN HB1 parsed_1sbu 1
21 1 1 . . . . . . . . 1 2 PHE HA parsed_1sbu 1
21 1 2 . . . . . . . . 1 2 PHE HB1 parsed_1sbu 1
22 1 1 . . . . . . . . 1 2 PHE HA parsed_1sbu 1
22 1 2 . . . . . . . . 1 2 PHE HB2 parsed_1sbu 1
23 1 1 . . . . . . . . 1 4 SER HA parsed_1sbu 1
23 1 2 . . . . . . . . 1 4 SER HB* parsed_1sbu 1
24 1 1 . . . . . . . . 1 6 PRO HB1 parsed_1sbu 1
24 1 2 . . . . . . . . 1 6 PRO HB2 parsed_1sbu 1
25 1 1 . . . . . . . . 1 10 ASN HN parsed_1sbu 1
25 1 2 . . . . . . . . 1 10 ASN HB2 parsed_1sbu 1
26 1 1 . . . . . . . . 1 4 SER HN parsed_1sbu 1
26 1 2 . . . . . . . . 1 4 SER HB* parsed_1sbu 1
27 1 1 . . . . . . . . 1 4 SER HN parsed_1sbu 1
27 1 2 . . . . . . . . 1 4 SER HA parsed_1sbu 1
28 1 1 . . . . . . . . 1 8 LEU HB* parsed_1sbu 1
28 1 2 . . . . . . . . 1 8 LEU HD1* parsed_1sbu 1
29 1 1 . . . . . . . . 1 6 PRO HB1 parsed_1sbu 1
29 1 2 . . . . . . . . 1 6 PRO HA parsed_1sbu 1
30 1 1 . . . . . . . . 1 6 PRO HB2 parsed_1sbu 1
30 1 2 . . . . . . . . 1 6 PRO HA parsed_1sbu 1
31 1 1 . . . . . . . . 1 7 ILE HA parsed_1sbu 1
31 1 2 . . . . . . . . 1 7 ILE HG12 parsed_1sbu 1
32 1 1 . . . . . . . . 1 7 ILE HA parsed_1sbu 1
32 1 2 . . . . . . . . 1 7 ILE HG11 parsed_1sbu 1
33 1 1 . . . . . . . . 1 7 ILE HN parsed_1sbu 1
33 1 2 . . . . . . . . 1 7 ILE HG11 parsed_1sbu 1
34 1 1 . . . . . . . . 1 7 ILE HN parsed_1sbu 1
34 1 2 . . . . . . . . 1 7 ILE HG12 parsed_1sbu 1
35 1 1 . . . . . . . . 1 10 ASN HN parsed_1sbu 1
35 1 2 . . . . . . . . 1 9 LYS HA parsed_1sbu 1
36 1 1 . . . . . . . . 1 7 ILE HN parsed_1sbu 1
36 1 2 . . . . . . . . 1 5 LEU HA parsed_1sbu 1
37 1 1 . . . . . . . . 1 7 ILE HN parsed_1sbu 1
37 1 2 . . . . . . . . 1 6 PRO HA parsed_1sbu 1
38 1 1 . . . . . . . . 1 8 LEU HN parsed_1sbu 1
38 1 2 . . . . . . . . 1 7 ILE HA parsed_1sbu 1
39 1 1 . . . . . . . . 1 9 LYS HN parsed_1sbu 1
39 1 2 . . . . . . . . 1 8 LEU HA parsed_1sbu 1
40 1 1 . . . . . . . . 1 3 ALA HN parsed_1sbu 1
40 1 2 . . . . . . . . 1 2 PHE HA parsed_1sbu 1
41 1 1 . . . . . . . . 1 4 SER HN parsed_1sbu 1
41 1 2 . . . . . . . . 1 3 ALA HA parsed_1sbu 1
42 1 1 . . . . . . . . 1 5 LEU HN parsed_1sbu 1
42 1 2 . . . . . . . . 1 4 SER HB* parsed_1sbu 1
43 1 1 . . . . . . . . 1 5 LEU HN parsed_1sbu 1
43 1 2 . . . . . . . . 1 4 SER HA parsed_1sbu 1
44 1 1 . . . . . . . . 1 7 ILE HA parsed_1sbu 1
44 1 2 . . . . . . . . 1 7 ILE HG2* parsed_1sbu 1
45 1 1 . . . . . . . . 1 7 ILE HA parsed_1sbu 1
45 1 2 . . . . . . . . 1 7 ILE HB parsed_1sbu 1
46 1 1 . . . . . . . . 1 5 LEU HA parsed_1sbu 1
46 1 2 . . . . . . . . 1 5 LEU HB* parsed_1sbu 1
47 1 1 . . . . . . . . 1 5 LEU HA parsed_1sbu 1
47 1 2 . . . . . . . . 1 5 LEU HG parsed_1sbu 1
48 1 1 . . . . . . . . 1 3 ALA HA parsed_1sbu 1
48 1 2 . . . . . . . . 1 3 ALA HB* parsed_1sbu 1
49 1 1 . . . . . . . . 1 5 LEU HA parsed_1sbu 1
49 1 2 . . . . . . . . 1 5 LEU HD1* parsed_1sbu 1
50 1 1 . . . . . . . . 1 8 LEU HA parsed_1sbu 1
50 1 2 . . . . . . . . 1 8 LEU HB* parsed_1sbu 1
51 1 1 . . . . . . . . 1 9 LYS HA parsed_1sbu 1
51 1 2 . . . . . . . . 1 9 LYS HB* parsed_1sbu 1
52 1 1 . . . . . . . . 1 8 LEU HN parsed_1sbu 1
52 1 2 . . . . . . . . 1 8 LEU HD2* parsed_1sbu 1
53 1 1 . . . . . . . . 1 2 PHE HN parsed_1sbu 1
53 1 2 . . . . . . . . 1 3 ALA HN parsed_1sbu 1
54 1 1 . . . . . . . . 1 5 LEU HA parsed_1sbu 1
54 1 2 . . . . . . . . 1 6 PRO HA parsed_1sbu 1
55 1 1 . . . . . . . . 1 7 ILE HN parsed_1sbu 1
55 1 2 . . . . . . . . 1 6 PRO HB1 parsed_1sbu 1
56 1 1 . . . . . . . . 1 7 ILE HN parsed_1sbu 1
56 1 2 . . . . . . . . 1 6 PRO HB2 parsed_1sbu 1
57 1 1 . . . . . . . . 1 7 ILE HN parsed_1sbu 1
57 1 2 . . . . . . . . 1 6 PRO HD31 parsed_1sbu 1
58 1 1 . . . . . . . . 1 7 ILE HN parsed_1sbu 1
58 1 2 . . . . . . . . 1 6 PRO HD32 parsed_1sbu 1
59 1 1 . . . . . . . . 1 7 ILE HN parsed_1sbu 1
59 1 2 . . . . . . . . 1 6 PRO HD33 parsed_1sbu 1
60 1 1 . . . . . . . . 1 7 ILE HN parsed_1sbu 1
60 1 2 . . . . . . . . 1 6 PRO HD21 parsed_1sbu 1
61 1 1 . . . . . . . . 1 7 ILE HN parsed_1sbu 1
61 1 2 . . . . . . . . 1 6 PRO HD22 parsed_1sbu 1
62 1 1 . . . . . . . . 1 7 ILE HN parsed_1sbu 1
62 1 2 . . . . . . . . 1 6 PRO HD23 parsed_1sbu 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 . . . . . 2.959 2.780 2.959 parsed_1sbu 1
2 1 . . . . . 3.101 2.537 3.101 parsed_1sbu 1
3 1 . . . . . 3.095 3.057 3.095 parsed_1sbu 1
4 1 . . . . . 3.444 3.052 3.444 parsed_1sbu 1
5 1 . . . . . 2.788 2.543 2.788 parsed_1sbu 1
6 1 . . . . . 3.462 3.143 3.462 parsed_1sbu 1
7 1 . . . . . 3.204 2.621 3.204 parsed_1sbu 1
8 1 . . . . . 3.333 2.248 3.333 parsed_1sbu 1
9 1 . . . . . 3.288 2.690 3.288 parsed_1sbu 1
10 1 . . . . . 3.327 2.722 3.327 parsed_1sbu 1
11 1 . . . . . 2.607 2.400 2.607 parsed_1sbu 1
12 1 . . . . . 4.270 3.550 4.270 parsed_1sbu 1
13 1 . . . . . 4.963 4.061 4.963 parsed_1sbu 1
14 1 . . . . . 3.714 3.400 3.714 parsed_1sbu 1
15 1 . . . . . 3.372 2.759 3.372 parsed_1sbu 1
16 1 . . . . . 3.136 2.605 3.136 parsed_1sbu 1
17 1 . . . . . 2.786 2.279 2.786 parsed_1sbu 1
18 1 . . . . . 3.650 2.900 3.650 parsed_1sbu 1
19 1 . . . . . 2.815 2.303 2.815 parsed_1sbu 1
20 1 . . . . . 2.959 2.780 2.959 parsed_1sbu 1
21 1 . . . . . 3.786 3.098 3.786 parsed_1sbu 1
22 1 . . . . . 3.987 3.262 3.987 parsed_1sbu 1
23 1 . . . . . 2.829 2.314 2.829 parsed_1sbu 1
24 1 . . . . . 1.758 1.723 1.758 parsed_1sbu 1
25 1 . . . . . 2.959 2.780 2.959 parsed_1sbu 1
26 1 . . . . . 3.546 2.902 3.546 parsed_1sbu 1
27 1 . . . . . 3.133 2.221 3.133 parsed_1sbu 1
28 1 . . . . . 3.839 3.141 3.839 parsed_1sbu 1
29 1 . . . . . 3.400 2.600 3.400 parsed_1sbu 1
30 1 . . . . . 3.500 2.900 3.500 parsed_1sbu 1
31 1 . . . . . 3.737 2.634 3.737 parsed_1sbu 1
32 1 . . . . . 3.366 2.745 3.366 parsed_1sbu 1
33 1 . . . . . 3.400 2.900 3.400 parsed_1sbu 1
34 1 . . . . . 4.000 3.700 4.000 parsed_1sbu 1
35 1 . . . . . 2.643 2.401 2.643 parsed_1sbu 1
36 1 . . . . . 3.600 3.000 3.600 parsed_1sbu 1
37 1 . . . . . 4.128 3.104 4.128 parsed_1sbu 1
38 1 . . . . . 2.160 2.004 2.160 parsed_1sbu 1
39 1 . . . . . 2.386 2.106 2.386 parsed_1sbu 1
40 1 . . . . . 2.600 2.272 2.600 parsed_1sbu 1
41 1 . . . . . 3.133 2.221 3.133 parsed_1sbu 1
42 1 . . . . . 3.859 3.157 3.859 parsed_1sbu 1
43 1 . . . . . 2.334 2.106 2.334 parsed_1sbu 1
44 1 . . . . . 3.554 3.109 3.554 parsed_1sbu 1
45 1 . . . . . 3.624 2.747 3.624 parsed_1sbu 1
46 1 . . . . . 3.229 2.642 3.229 parsed_1sbu 1
47 1 . . . . . 3.129 2.429 3.129 parsed_1sbu 1
48 1 . . . . . 3.221 2.800 3.221 parsed_1sbu 1
49 1 . . . . . 3.220 2.640 3.220 parsed_1sbu 1
50 1 . . . . . 2.900 2.500 2.900 parsed_1sbu 1
51 1 . . . . . 3.116 2.550 3.116 parsed_1sbu 1
52 1 . . . . . 3.751 3.400 3.751 parsed_1sbu 1
53 1 . . . . . 3.120 2.597 3.120 parsed_1sbu 1
54 1 . . . . . 3.129 2.429 3.129 parsed_1sbu 1
55 1 . . . . . 4.300 3.800 4.300 parsed_1sbu 1
56 1 . . . . . 3.800 2.800 3.800 parsed_1sbu 1
57 1 . . . . . 15.00 5.000 15.00 parsed_1sbu 1
58 1 . . . . . 15.00 5.000 15.00 parsed_1sbu 1
59 1 . . . . . 15.00 5.000 15.00 parsed_1sbu 1
60 1 . . . . . 15.00 5.000 15.00 parsed_1sbu 1
61 1 . . . . . 15.00 5.000 15.00 parsed_1sbu 1
62 1 . . . . . 15.00 5.000 15.00 parsed_1sbu 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 NOE_distance 1 1 1 13 parsed_1sbu 1
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1sbu
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.000 -160.000 . 1 1 GLYn CA 1 1 GLYn C 1 2 PHE N 1 2 PHE CA parsed_1sbu 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.000 -160.000 . 1 2 PHE CA 1 2 PHE C 1 3 ALA N 1 3 ALA CA parsed_1sbu 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.000 -160.000 . 1 3 ALA CA 1 3 ALA C 1 4 SER N 1 4 SER CA parsed_1sbu 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.000 -160.000 . 1 4 SER CA 1 4 SER C 1 5 LEU N 1 5 LEU CA parsed_1sbu 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 5 LEU CA 1 5 LEU C 1 6 PRO N 1 6 PRO CA parsed_1sbu 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.000 -160.000 . 1 6 PRO CA 1 6 PRO C 1 7 ILE N 1 7 ILE CA parsed_1sbu 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.000 -160.000 . 1 7 ILE CA 1 7 ILE C 1 8 LEU N 1 8 LEU CA parsed_1sbu 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.000 -160.000 . 1 8 LEU CA 1 8 LEU C 1 9 LYS N 1 9 LYS CA parsed_1sbu 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.000 -160.000 . 1 9 LYS CA 1 9 LYS C 1 10 ASN N 1 10 ASN CA parsed_1sbu 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.000 -160.000 . 1 10 ASN CA 1 10 ASN C 1 11 GLY N 1 11 GLY CA parsed_1sbu 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -30.000 . 1 1 GLYn C 1 2 PHE N 1 2 PHE CA 1 2 PHE C parsed_1sbu 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -30.000 . 1 2 PHE C 1 3 ALA N 1 3 ALA CA 1 3 ALA C parsed_1sbu 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -30.000 . 1 3 ALA C 1 4 SER N 1 4 SER CA 1 4 SER C parsed_1sbu 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -30.000 . 1 8 LEU C 1 9 LYS N 1 9 LYS CA 1 9 LYS C parsed_1sbu 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -30.000 . 1 9 LYS C 1 10 ASN N 1 10 ASN CA 1 10 ASN C parsed_1sbu 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.000 180.000 . 1 2 PHE N 1 2 PHE CA 1 2 PHE C 1 3 ALA N parsed_1sbu 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.000 180.000 . 1 3 ALA N 1 3 ALA CA 1 3 ALA C 1 4 SER N parsed_1sbu 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.000 180.000 . 1 4 SER N 1 4 SER CA 1 4 SER C 1 5 LEU N parsed_1sbu 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.000 180.000 . 1 9 LYS N 1 9 LYS CA 1 9 LYS C 1 10 ASN N parsed_1sbu 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.000 180.000 . 1 10 ASN N 1 10 ASN CA 1 10 ASN C 1 11 GLY N parsed_1sbu 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 NMR_dihedral 1 1 1 13 parsed_1sbu 1
stop_
save_
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