NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
34629 |
1k43   |
cing | 2-parsed | STAR | entry | full | 70 |
data_1k43_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1k43
_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_1k43 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1k43
_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 1k43 "Master copy" parsed_1k43
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1k43
_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 1k43.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1k43 1
1 1k43.mr . . DYANA/DIANA 2 distance NOE simple 60 parsed_1k43 1
1 1k43.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 10 parsed_1k43 1
1 1k43.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1k43 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_1k43
_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 DE NOVO PROTEIN 05-OCT-01 1K43
*TITLE 10 STRUCTURE ENSEMBLE OF THE 14-RESIDUE PEPTIDE RG-KWTY-NG-
*TITLE 2 ITYE-GR (MBH12)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: MBH12;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED
*SOURCE 4 USING FMOC CHEMISTRY.
*KEYWDS BETA-HAIRPIN
*EXPDTA NMR, 10 STRUCTURES
*AUTHOR M.T.PASTOR, M.LOPEZ DE LA PAZ, E.LACROIX, L.SERRANO,
*AUTHOR 2 E.PEREZ-PAYA
*REVDAT 1 17-OCT-01 1K43 0
#08_July_2001/Peptide 12
#strong: < or = 2.5
#strong-medium < or = 3.0
#medium < or = 3.5
#medium-weak < or = 4.0
#weak < or = 5.0
#very weak < or = 6.0
#+1.0 for methyl
#+2.2 for CG or CZ Tyr
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1k43
_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_1k43 1
2 1 . . . parsed_1k43 1
3 1 . . . parsed_1k43 1
4 1 . . . parsed_1k43 1
5 1 . . . parsed_1k43 1
6 1 . . . parsed_1k43 1
7 1 . . . parsed_1k43 1
8 1 . . . parsed_1k43 1
9 1 . . . parsed_1k43 1
10 1 . . . parsed_1k43 1
11 1 . . . parsed_1k43 1
12 1 . . . parsed_1k43 1
13 1 . . . parsed_1k43 1
14 1 . . . parsed_1k43 1
15 1 . . . parsed_1k43 1
16 1 . . . parsed_1k43 1
17 1 . . . parsed_1k43 1
18 1 . . . parsed_1k43 1
19 1 . . . parsed_1k43 1
20 1 . . . parsed_1k43 1
21 1 . . . parsed_1k43 1
22 1 . . . parsed_1k43 1
23 1 . . . parsed_1k43 1
24 1 . . . parsed_1k43 1
25 1 . . . parsed_1k43 1
26 1 . . . parsed_1k43 1
27 1 . . . parsed_1k43 1
28 1 . . . parsed_1k43 1
29 1 . . . parsed_1k43 1
30 1 . . . parsed_1k43 1
31 1 . . . parsed_1k43 1
32 1 . . . parsed_1k43 1
33 1 . . . parsed_1k43 1
34 1 . . . parsed_1k43 1
35 1 . . . parsed_1k43 1
36 1 . . . parsed_1k43 1
37 1 . . . parsed_1k43 1
38 1 . . . parsed_1k43 1
39 1 . . . parsed_1k43 1
40 1 . . . parsed_1k43 1
41 1 . . . parsed_1k43 1
42 1 . . . parsed_1k43 1
43 1 . . . parsed_1k43 1
44 1 . . . parsed_1k43 1
45 1 . . . parsed_1k43 1
46 1 . . . parsed_1k43 1
47 1 . . . parsed_1k43 1
48 1 . . . parsed_1k43 1
49 1 . . . parsed_1k43 1
50 1 . . . parsed_1k43 1
51 1 . . . parsed_1k43 1
52 1 . . . parsed_1k43 1
53 1 . . . parsed_1k43 1
54 1 . . . parsed_1k43 1
55 1 . . . parsed_1k43 1
56 1 . . . parsed_1k43 1
57 1 . . . parsed_1k43 1
58 1 . . . parsed_1k43 1
59 1 . . . parsed_1k43 1
60 1 . . . parsed_1k43 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 . . . . . . . . . 3 LYS+ HA parsed_1k43 1
1 1 2 . . . . . . . . . 4 TRP HN parsed_1k43 1
2 1 1 . . . . . . . . . 4 TRP HA parsed_1k43 1
2 1 2 . . . . . . . . . 5 THR HN parsed_1k43 1
3 1 1 . . . . . . . . . 5 THR HA parsed_1k43 1
3 1 2 . . . . . . . . . 6 TYR HN parsed_1k43 1
4 1 1 . . . . . . . . . 6 TYR HA parsed_1k43 1
4 1 2 . . . . . . . . . 7 ASN HN parsed_1k43 1
5 1 1 . . . . . . . . . 7 ASN HA parsed_1k43 1
5 1 2 . . . . . . . . . 8 GLY HN parsed_1k43 1
6 1 1 . . . . . . . . . 8 GLY HA1 parsed_1k43 1
6 1 2 . . . . . . . . . 9 ILE HN parsed_1k43 1
7 1 1 . . . . . . . . . 8 GLY HA2 parsed_1k43 1
7 1 2 . . . . . . . . . 9 ILE HN parsed_1k43 1
8 1 1 . . . . . . . . . 9 ILE HA parsed_1k43 1
8 1 2 . . . . . . . . . 10 THR HN parsed_1k43 1
9 1 1 . . . . . . . . . 10 THR HA parsed_1k43 1
9 1 2 . . . . . . . . . 11 TYR HN parsed_1k43 1
10 1 1 . . . . . . . . . 11 TYR HA parsed_1k43 1
10 1 2 . . . . . . . . . 12 GLU- HN parsed_1k43 1
11 1 1 . . . . . . . . . 3 LYS+ HN parsed_1k43 1
11 1 2 . . . . . . . . . 4 TRP HN parsed_1k43 1
12 1 1 . . . . . . . . . 4 TRP HN parsed_1k43 1
12 1 2 . . . . . . . . . 5 THR HN parsed_1k43 1
13 1 1 . . . . . . . . . 5 THR HN parsed_1k43 1
13 1 2 . . . . . . . . . 6 TYR HN parsed_1k43 1
14 1 1 . . . . . . . . . 7 ASN HN parsed_1k43 1
14 1 2 . . . . . . . . . 8 GLY HN parsed_1k43 1
15 1 1 . . . . . . . . . 8 GLY HN parsed_1k43 1
15 1 2 . . . . . . . . . 9 ILE HN parsed_1k43 1
16 1 1 . . . . . . . . . 9 ILE HN parsed_1k43 1
16 1 2 . . . . . . . . . 10 THR HN parsed_1k43 1
17 1 1 . . . . . . . . . 10 THR HN parsed_1k43 1
17 1 2 . . . . . . . . . 11 TYR HN parsed_1k43 1
18 1 1 . . . . . . . . . 11 TYR HN parsed_1k43 1
18 1 2 . . . . . . . . . 12 GLU- HN parsed_1k43 1
19 1 1 . . . . . . . . . 3 LYS+ HA parsed_1k43 1
19 1 2 . . . . . . . . . 12 GLU- HA parsed_1k43 1
20 1 1 . . . . . . . . . 5 THR HA parsed_1k43 1
20 1 2 . . . . . . . . . 10 THR HA parsed_1k43 1
21 1 1 . . . . . . . . . 3 LYS+ HA parsed_1k43 1
21 1 2 . . . . . . . . . 13 GLY HN parsed_1k43 1
22 1 1 . . . . . . . . . 4 TRP HN parsed_1k43 1
22 1 2 . . . . . . . . . 12 GLU- HA parsed_1k43 1
23 1 1 . . . . . . . . . 5 THR HA parsed_1k43 1
23 1 2 . . . . . . . . . 9 ILE HN parsed_1k43 1
24 1 1 . . . . . . . . . 5 THR HA parsed_1k43 1
24 1 2 . . . . . . . . . 10 THR HN parsed_1k43 1
25 1 1 . . . . . . . . . 5 THR HA parsed_1k43 1
25 1 2 . . . . . . . . . 11 TYR HN parsed_1k43 1
26 1 1 . . . . . . . . . 3 LYS+ HN parsed_1k43 1
26 1 2 . . . . . . . . . 13 GLY HN parsed_1k43 1
27 1 1 . . . . . . . . . 3 LYS+ HN parsed_1k43 1
27 1 2 . . . . . . . . . 14 ARG+ HN parsed_1k43 1
28 1 1 . . . . . . . . . 4 TRP HN parsed_1k43 1
28 1 2 . . . . . . . . . 11 TYR HN parsed_1k43 1
29 1 1 . . . . . . . . . 4 TRP HN parsed_1k43 1
29 1 2 . . . . . . . . . 13 GLY HN parsed_1k43 1
30 1 1 . . . . . . . . . 5 THR HN parsed_1k43 1
30 1 2 . . . . . . . . . 11 TYR HN parsed_1k43 1
31 1 1 . . . . . . . . . 6 TYR HN parsed_1k43 1
31 1 2 . . . . . . . . . 9 ILE HN parsed_1k43 1
32 1 1 . . . . . . . . . 3 LYS+ QB parsed_1k43 1
32 1 2 . . . . . . . . . 10 THR QG2 parsed_1k43 1
33 1 1 . . . . . . . . . 3 LYS+ QD parsed_1k43 1
33 1 2 . . . . . . . . . 10 THR QG2 parsed_1k43 1
34 1 1 . . . . . . . . . 3 LYS+ QB parsed_1k43 1
34 1 2 . . . . . . . . . 12 GLU- QG parsed_1k43 1
35 1 1 . . . . . . . . . 3 LYS+ QG parsed_1k43 1
35 1 2 . . . . . . . . . 12 GLU- QG parsed_1k43 1
36 1 1 . . . . . . . . . 3 LYS+ QD parsed_1k43 1
36 1 2 . . . . . . . . . 12 GLU- QG parsed_1k43 1
37 1 1 . . . . . . . . . 3 LYS+ QE parsed_1k43 1
37 1 2 . . . . . . . . . 12 GLU- QG parsed_1k43 1
38 1 1 . . . . . . . . . 4 TRP QB parsed_1k43 1
38 1 2 . . . . . . . . . 11 TYR HB2 parsed_1k43 1
39 1 1 . . . . . . . . . 4 TRP QB parsed_1k43 1
39 1 2 . . . . . . . . . 11 TYR HB3 parsed_1k43 1
40 1 1 . . . . . . . . . 4 TRP HE3 parsed_1k43 1
40 1 2 . . . . . . . . . 11 TYR CZ parsed_1k43 1
41 1 1 . . . . . . . . . 4 TRP HH2 parsed_1k43 1
41 1 2 . . . . . . . . . 11 TYR CZ parsed_1k43 1
42 1 1 . . . . . . . . . 3 LYS+ HA parsed_1k43 1
42 1 2 . . . . . . . . . 12 GLU- QG parsed_1k43 1
43 1 1 . . . . . . . . . 3 LYS+ QB parsed_1k43 1
43 1 2 . . . . . . . . . 12 GLU- HA parsed_1k43 1
44 1 1 . . . . . . . . . 3 LYS+ HG2 parsed_1k43 1
44 1 2 . . . . . . . . . 12 GLU- HA parsed_1k43 1
45 1 1 . . . . . . . . . 3 LYS+ HG3 parsed_1k43 1
45 1 2 . . . . . . . . . 12 GLU- HA parsed_1k43 1
46 1 1 . . . . . . . . . 4 TRP HA parsed_1k43 1
46 1 2 . . . . . . . . . 10 THR QG2 parsed_1k43 1
47 1 1 . . . . . . . . . 4 TRP HN parsed_1k43 1
47 1 2 . . . . . . . . . 11 TYR CZ parsed_1k43 1
48 1 1 . . . . . . . . . 4 TRP HE3 parsed_1k43 1
48 1 2 . . . . . . . . . 13 GLY HN parsed_1k43 1
49 1 1 . . . . . . . . . 4 TRP HZ3 parsed_1k43 1
49 1 2 . . . . . . . . . 13 GLY HN parsed_1k43 1
50 1 1 . . . . . . . . . 4 TRP HD1 parsed_1k43 1
50 1 2 . . . . . . . . . 13 GLY HN parsed_1k43 1
51 1 1 . . . . . . . . . 5 THR QG2 parsed_1k43 1
51 1 2 . . . . . . . . . 8 GLY HN parsed_1k43 1
52 1 1 . . . . . . . . . 5 THR QG2 parsed_1k43 1
52 1 2 . . . . . . . . . 8 GLY HA1 parsed_1k43 1
53 1 1 . . . . . . . . . 5 THR HA parsed_1k43 1
53 1 2 . . . . . . . . . 10 THR QG2 parsed_1k43 1
54 1 1 . . . . . . . . . 5 THR QG2 parsed_1k43 1
54 1 2 . . . . . . . . . 10 THR HN parsed_1k43 1
55 1 1 . . . . . . . . . 5 THR QG2 parsed_1k43 1
55 1 2 . . . . . . . . . 10 THR HA parsed_1k43 1
56 1 1 . . . . . . . . . 5 THR QG2 parsed_1k43 1
56 1 2 . . . . . . . . . 11 TYR HN parsed_1k43 1
57 1 1 . . . . . . . . . 6 TYR CG parsed_1k43 1
57 1 2 . . . . . . . . . 9 ILE HN parsed_1k43 1
58 1 1 . . . . . . . . . 6 TYR HN parsed_1k43 1
58 1 2 . . . . . . . . . 11 TYR CZ parsed_1k43 1
59 1 1 . . . . . . . . . 9 ILE HB parsed_1k43 1
59 1 2 . . . . . . . . . 6 TYR HN parsed_1k43 1
60 1 1 . . . . . . . . . 10 THR QG2 parsed_1k43 1
60 1 2 . . . . . . . . . 4 TRP HN parsed_1k43 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 . . . . . . . 2.2 parsed_1k43 1
2 1 . . . . . . . 2.2 parsed_1k43 1
3 1 . . . . . . . 2.2 parsed_1k43 1
4 1 . . . . . . . 2.2 parsed_1k43 1
5 1 . . . . . . . 3.4 parsed_1k43 1
6 1 . . . . . . . 4.0 parsed_1k43 1
7 1 . . . . . . . 3.2 parsed_1k43 1
8 1 . . . . . . . 2.2 parsed_1k43 1
9 1 . . . . . . . 2.2 parsed_1k43 1
10 1 . . . . . . . 2.2 parsed_1k43 1
11 1 . . . . . . . 4.3 parsed_1k43 1
12 1 . . . . . . . 4.3 parsed_1k43 1
13 1 . . . . . . . 4.3 parsed_1k43 1
14 1 . . . . . . . 2.6 parsed_1k43 1
15 1 . . . . . . . 2.4 parsed_1k43 1
16 1 . . . . . . . 4.3 parsed_1k43 1
17 1 . . . . . . . 4.7 parsed_1k43 1
18 1 . . . . . . . 4.3 parsed_1k43 1
19 1 . . . . . . . 2.3 parsed_1k43 1
20 1 . . . . . . . 2.3 parsed_1k43 1
21 1 . . . . . . . 3.2 parsed_1k43 1
22 1 . . . . . . . 3.2 parsed_1k43 1
23 1 . . . . . . . 6.0 parsed_1k43 1
24 1 . . . . . . . 6.0 parsed_1k43 1
25 1 . . . . . . . 3.2 parsed_1k43 1
26 1 . . . . . . . 6.0 parsed_1k43 1
27 1 . . . . . . . 6.0 parsed_1k43 1
28 1 . . . . . . . 3.3 parsed_1k43 1
29 1 . . . . . . . 6.0 parsed_1k43 1
30 1 . . . . . . . 6.0 parsed_1k43 1
31 1 . . . . . . . 3.3 parsed_1k43 1
32 1 . . . . . . . 6 parsed_1k43 1
33 1 . . . . . . . 5 parsed_1k43 1
34 1 . . . . . . . 5 parsed_1k43 1
35 1 . . . . . . . 3.5 parsed_1k43 1
36 1 . . . . . . . 5.0 parsed_1k43 1
37 1 . . . . . . . 5.0 parsed_1k43 1
38 1 . . . . . . . 4.0 parsed_1k43 1
39 1 . . . . . . . 5.0 parsed_1k43 1
40 1 . . . . . . . 7.2 parsed_1k43 1
41 1 . . . . . . . 5.7 parsed_1k43 1
42 1 . . . . . . . 6.0 parsed_1k43 1
43 1 . . . . . . . 6.0 parsed_1k43 1
44 1 . . . . . . . 6.0 parsed_1k43 1
45 1 . . . . . . . 6.0 parsed_1k43 1
46 1 . . . . . . . 7 parsed_1k43 1
47 1 . . . . . . . 8.2 parsed_1k43 1
48 1 . . . . . . . 6.0 parsed_1k43 1
49 1 . . . . . . . 6.0 parsed_1k43 1
50 1 . . . . . . . 6.0 parsed_1k43 1
51 1 . . . . . . . 6.0 parsed_1k43 1
52 1 . . . . . . . 5 parsed_1k43 1
53 1 . . . . . . . 6 parsed_1k43 1
54 1 . . . . . . . 7 parsed_1k43 1
55 1 . . . . . . . 5.0 parsed_1k43 1
56 1 . . . . . . . 3.8 parsed_1k43 1
57 1 . . . . . . . 5 parsed_1k43 1
58 1 . . . . . . . 6.2 parsed_1k43 1
59 1 . . . . . . . 6.0 parsed_1k43 1
60 1 . . . . . . . 6.0 parsed_1k43 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 "dan (i,i+1)" 1 1 1 12 parsed_1k43 1
2 "dnn (i,i+1)" 12 1 12 12 parsed_1k43 1
3 "daa (i,n)" 21 1 21 10 parsed_1k43 1
4 "dan (i,n)" 24 1 24 10 parsed_1k43 1
5 "dnn (i,n)" 30 1 30 10 parsed_1k43 1
6 dscsc 37 1 37 6 parsed_1k43 1
7 5+1 38 25 38 28 parsed_1k43 1
8 4+1 39 25 39 28 parsed_1k43 1
9 5+2.2 46 27 46 32 parsed_1k43 1
10 3.5+2.2 47 27 47 34 parsed_1k43 1
11 dscb 48 1 48 5 parsed_1k43 1
12 6+1 53 25 53 28 parsed_1k43 1
13 6+2.2 54 26 54 31 parsed_1k43 1
14 5+1 58 27 58 30 parsed_1k43 1
15 4+1 59 26 59 29 parsed_1k43 1
16 5+1 60 25 60 28 parsed_1k43 1
17 6+1 61 25 61 28 parsed_1k43 1
18 4+1 62 27 62 30 parsed_1k43 1
19 2.8+1 63 27 63 32 parsed_1k43 1
20 4+2.2 65 26 65 31 parsed_1k43 1
21 5+1 67 27 67 30 parsed_1k43 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1k43
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . . 1 ARG+ . . . . . . . . . . . . . parsed_1k43 1
2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 3 LYS+ . . . . . . . . . . . . . parsed_1k43 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 4 TRP . . . . . . . . . . . . . parsed_1k43 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 5 THR . . . . . . . . . . . . . parsed_1k43 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 6 TYR . . . . . . . . . . . . . parsed_1k43 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -95.0 . . 9 ILE . . . . . . . . . . . . . parsed_1k43 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 10 THR . . . . . . . . . . . . . parsed_1k43 1
8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 11 TYR . . . . . . . . . . . . . parsed_1k43 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . . 12 GLU- . . . . . . . . . . . . . parsed_1k43 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . . 14 ARG+ . . . . . . . . . . . . . parsed_1k43 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 "peptide 12 input dihedral angle constraints" 1 1 1 44 parsed_1k43 1
2 "From JNH,Ha=8.6Hz" 7 34 7 51 parsed_1k43 1
3 JNH,Ha>8Hz 8 34 8 44 parsed_1k43 1
4 "From JNH,Ha=8.3Hz" 9 34 9 51 parsed_1k43 1
stop_
save_
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