NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
654097 |
7jhf   |
30778 | cing | 2-parsed | STAR | entry | full | 59 |
data_7jhf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_7jhf
_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_7jhf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_7jhf
_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 7jhf "Master copy" parsed_7jhf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_7jhf
_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 7jhf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_7jhf 1
1 7jhf.mr . . DYANA/DIANA 2 distance NOE simple 40 parsed_7jhf 1
1 7jhf.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 14 parsed_7jhf 1
1 7jhf.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 5 parsed_7jhf 1
1 7jhf.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_7jhf 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_7jhf
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER ANTIMICROBIAL PROTEIN 20-JUL-20 7JHF
*TITLE SOLUTION NMR STRUCTURE OF PROTONECTIN-F, A DERIVED PEPTIDE FROM WASP
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: PROTONECTIN-F DERIVED PEPTIDE ILE-PHE-GLY-THR-ILE-LEU-GLY-
*COMPND 3 PHE-LEU-LYS-GLY-LEU-NH2;
*COMPND 4 CHAIN: A;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: PARACHARTERGUS FRATERNUS;
*SOURCE 4 ORGANISM_TAXID: 91406
*KEYWDS ALPHA-HELICAL, ANTIMICROBIAL, NON-HAEMOLYTIC, ANTIMICROBIAL PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR J.A.I.MULLER,D.J.CRAIK,J.KOEHBACH
*REVDAT 1 16-DEC-20 7JHF 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_7jhf
_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_7jhf 1
2 1 . . . parsed_7jhf 1
3 1 . . . parsed_7jhf 1
4 1 . . . parsed_7jhf 1
5 1 . . . parsed_7jhf 1
6 1 . . . parsed_7jhf 1
7 1 . . . parsed_7jhf 1
8 1 . . . parsed_7jhf 1
9 1 . . . parsed_7jhf 1
10 1 . . . parsed_7jhf 1
11 1 . . . parsed_7jhf 1
12 1 . . . parsed_7jhf 1
13 1 . . . parsed_7jhf 1
14 1 . . . parsed_7jhf 1
15 1 . . . parsed_7jhf 1
16 1 . . . parsed_7jhf 1
17 1 . . . parsed_7jhf 1
18 1 . . . parsed_7jhf 1
19 1 . . . parsed_7jhf 1
20 1 . . . parsed_7jhf 1
21 1 . . . parsed_7jhf 1
22 1 . . . parsed_7jhf 1
23 1 . . . parsed_7jhf 1
24 1 . . . parsed_7jhf 1
25 1 . . . parsed_7jhf 1
26 1 . . . parsed_7jhf 1
27 1 . . . parsed_7jhf 1
28 1 . . . parsed_7jhf 1
29 1 . . . parsed_7jhf 1
30 1 . . . parsed_7jhf 1
31 1 . . . parsed_7jhf 1
32 1 . . . parsed_7jhf 1
33 1 . . . parsed_7jhf 1
34 1 . . . parsed_7jhf 1
35 1 . . . parsed_7jhf 1
36 1 . . . parsed_7jhf 1
37 1 . . . parsed_7jhf 1
38 1 . . . parsed_7jhf 1
39 1 . . . parsed_7jhf 1
40 1 . . . parsed_7jhf 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 . . . . . . . . . 4 THR HB parsed_7jhf 1
1 1 2 . . . . . . . . . 5 ILE H parsed_7jhf 1
2 1 1 . . . . . . . . . 4 THR H parsed_7jhf 1
2 1 2 . . . . . . . . . 4 THR HB parsed_7jhf 1
3 1 1 . . . . . . . . . 8 PHE H parsed_7jhf 1
3 1 2 . . . . . . . . . 8 PHE HB2 parsed_7jhf 1
4 1 1 . . . . . . . . . 8 PHE H parsed_7jhf 1
4 1 2 . . . . . . . . . 8 PHE HB3 parsed_7jhf 1
5 1 1 . . . . . . . . . 5 ILE H parsed_7jhf 1
5 1 2 . . . . . . . . . 5 ILE HB parsed_7jhf 1
6 1 1 . . . . . . . . . 5 ILE HB parsed_7jhf 1
6 1 2 . . . . . . . . . 6 LEU H parsed_7jhf 1
7 1 1 . . . . . . . . . 6 LEU HB2 parsed_7jhf 1
7 1 2 . . . . . . . . . 7 GLY H parsed_7jhf 1
8 1 1 . . . . . . . . . 12 LEU H parsed_7jhf 1
8 1 2 . . . . . . . . . 12 LEU HG parsed_7jhf 1
9 1 1 . . . . . . . . . 5 ILE H parsed_7jhf 1
9 1 2 . . . . . . . . . 5 ILE HG12 parsed_7jhf 1
10 1 1 . . . . . . . . . 6 LEU HB3 parsed_7jhf 1
10 1 2 . . . . . . . . . 7 GLY H parsed_7jhf 1
11 1 1 . . . . . . . . . 5 ILE H parsed_7jhf 1
11 1 2 . . . . . . . . . 5 ILE HG13 parsed_7jhf 1
12 1 1 . . . . . . . . . 4 THR H parsed_7jhf 1
12 1 2 . . . . . . . . . 4 THR QG2 parsed_7jhf 1
13 1 1 . . . . . . . . . 5 ILE H parsed_7jhf 1
13 1 2 . . . . . . . . . 5 ILE QG2 parsed_7jhf 1
14 1 1 . . . . . . . . . 5 ILE QG2 parsed_7jhf 1
14 1 2 . . . . . . . . . 6 LEU H parsed_7jhf 1
15 1 1 . . . . . . . . . 8 PHE H parsed_7jhf 1
15 1 2 . . . . . . . . . 9 LEU H parsed_7jhf 1
16 1 1 . . . . . . . . . 10 LYS H parsed_7jhf 1
16 1 2 . . . . . . . . . 11 GLY H parsed_7jhf 1
17 1 1 . . . . . . . . . 4 THR HA parsed_7jhf 1
17 1 2 . . . . . . . . . 4 THR QG2 parsed_7jhf 1
18 1 1 . . . . . . . . . 12 LEU HA parsed_7jhf 1
18 1 2 . . . . . . . . . 12 LEU HG parsed_7jhf 1
19 1 1 . . . . . . . . . 12 LEU HA parsed_7jhf 1
19 1 2 . . . . . . . . . 12 LEU QD1 parsed_7jhf 1
20 1 1 . . . . . . . . . 12 LEU HA parsed_7jhf 1
20 1 2 . . . . . . . . . 12 LEU QD2 parsed_7jhf 1
21 1 1 . . . . . . . . . 6 LEU HA parsed_7jhf 1
21 1 2 . . . . . . . . . 6 LEU HG parsed_7jhf 1
22 1 1 . . . . . . . . . 6 LEU HA parsed_7jhf 1
22 1 2 . . . . . . . . . 6 LEU QD1 parsed_7jhf 1
23 1 1 . . . . . . . . . 6 LEU HA parsed_7jhf 1
23 1 2 . . . . . . . . . 6 LEU QD2 parsed_7jhf 1
24 1 1 . . . . . . . . . 5 ILE HA parsed_7jhf 1
24 1 2 . . . . . . . . . 5 ILE QG2 parsed_7jhf 1
25 1 1 . . . . . . . . . 9 LEU HA parsed_7jhf 1
25 1 2 . . . . . . . . . 9 LEU HG parsed_7jhf 1
26 1 1 . . . . . . . . . 1 ILE HA parsed_7jhf 1
26 1 2 . . . . . . . . . 1 ILE QD1 parsed_7jhf 1
27 1 1 . . . . . . . . . 5 ILE HA parsed_7jhf 1
27 1 2 . . . . . . . . . 8 PHE HB2 parsed_7jhf 1
28 1 1 . . . . . . . . . 5 ILE HA parsed_7jhf 1
28 1 2 . . . . . . . . . 8 PHE HB3 parsed_7jhf 1
29 1 1 . . . . . . . . . 5 ILE H parsed_7jhf 1
29 1 2 . . . . . . . . . 5 ILE QG1 parsed_7jhf 1
30 1 1 . . . . . . . . . 6 LEU H parsed_7jhf 1
30 1 2 . . . . . . . . . 6 LEU QB parsed_7jhf 1
31 1 1 . . . . . . . . . 6 LEU HA parsed_7jhf 1
31 1 2 . . . . . . . . . 6 LEU QQD parsed_7jhf 1
32 1 1 . . . . . . . . . 6 LEU QQD parsed_7jhf 1
32 1 2 . . . . . . . . . 7 GLY QA parsed_7jhf 1
33 1 1 . . . . . . . . . 8 PHE QB parsed_7jhf 1
33 1 2 . . . . . . . . . 9 LEU H parsed_7jhf 1
34 1 1 . . . . . . . . . 9 LEU H parsed_7jhf 1
34 1 2 . . . . . . . . . 9 LEU QB parsed_7jhf 1
35 1 1 . . . . . . . . . 9 LEU HA parsed_7jhf 1
35 1 2 . . . . . . . . . 9 LEU QQD parsed_7jhf 1
36 1 1 . . . . . . . . . 9 LEU QB parsed_7jhf 1
36 1 2 . . . . . . . . . 10 LYS H parsed_7jhf 1
37 1 1 . . . . . . . . . 10 LYS H parsed_7jhf 1
37 1 2 . . . . . . . . . 10 LYS QB parsed_7jhf 1
38 1 1 . . . . . . . . . 10 LYS QB parsed_7jhf 1
38 1 2 . . . . . . . . . 11 GLY H parsed_7jhf 1
39 1 1 . . . . . . . . . 12 LEU H parsed_7jhf 1
39 1 2 . . . . . . . . . 12 LEU QB parsed_7jhf 1
40 1 1 . . . . . . . . . 12 LEU HA parsed_7jhf 1
40 1 2 . . . . . . . . . 12 LEU QQD parsed_7jhf 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 . . . . . . . 4.31 parsed_7jhf 1
2 1 . . . . . . . 4.00 parsed_7jhf 1
3 1 . . . . . . . 3.56 parsed_7jhf 1
4 1 . . . . . . . 3.56 parsed_7jhf 1
5 1 . . . . . . . 3.35 parsed_7jhf 1
6 1 . . . . . . . 4.07 parsed_7jhf 1
7 1 . . . . . . . 4.43 parsed_7jhf 1
8 1 . . . . . . . 3.62 parsed_7jhf 1
9 1 . . . . . . . 4.19 parsed_7jhf 1
10 1 . . . . . . . 4.43 parsed_7jhf 1
11 1 . . . . . . . 4.19 parsed_7jhf 1
12 1 . . . . . . . 4.04 parsed_7jhf 1
13 1 . . . . . . . 4.11 parsed_7jhf 1
14 1 . . . . . . . 4.38 parsed_7jhf 1
15 1 . . . . . . . 3.87 parsed_7jhf 1
16 1 . . . . . . . 3.93 parsed_7jhf 1
17 1 . . . . . . . 3.31 parsed_7jhf 1
18 1 . . . . . . . 4.01 parsed_7jhf 1
19 1 . . . . . . . 4.58 parsed_7jhf 1
20 1 . . . . . . . 4.58 parsed_7jhf 1
21 1 . . . . . . . 3.86 parsed_7jhf 1
22 1 . . . . . . . 3.83 parsed_7jhf 1
23 1 . . . . . . . 3.83 parsed_7jhf 1
24 1 . . . . . . . 3.58 parsed_7jhf 1
25 1 . . . . . . . 3.67 parsed_7jhf 1
26 1 . . . . . . . 5.31 parsed_7jhf 1
27 1 . . . . . . . 4.04 parsed_7jhf 1
28 1 . . . . . . . 4.04 parsed_7jhf 1
29 1 . . . . . . . 3.62 parsed_7jhf 1
30 1 . . . . . . . 3.22 parsed_7jhf 1
31 1 . . . . . . . 3.08 parsed_7jhf 1
32 1 . . . . . . . 4.47 parsed_7jhf 1
33 1 . . . . . . . 4.00 parsed_7jhf 1
34 1 . . . . . . . 3.06 parsed_7jhf 1
35 1 . . . . . . . 3.02 parsed_7jhf 1
36 1 . . . . . . . 4.03 parsed_7jhf 1
37 1 . . . . . . . 3.07 parsed_7jhf 1
38 1 . . . . . . . 3.96 parsed_7jhf 1
39 1 . . . . . . . 3.28 parsed_7jhf 1
40 1 . . . . . . . 3.49 parsed_7jhf 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "Restraints file 1: protonectinF_pdb_restraints.txt" 1 1 1 52 parsed_7jhf 1
2 "distance restraints" 2 1 2 20 parsed_7jhf 1
3 "peak 5 #plist 1 #SUP 0.90 #QF 0.82" 3 39 3 73 parsed_7jhf 1
4 "peak 6 #plist 1 #SUP 0.72 #QF 0.63" 4 39 4 73 parsed_7jhf 1
5 "peak 33 #plist 1 #SUP 0.78 #QF 0.78" 5 39 5 74 parsed_7jhf 1
6 "peak 36 #plist 1 #SUP 0.78 #QF 0.78" 6 39 6 74 parsed_7jhf 1
7 "peak 42 #plist 1 #SUP 0.69 #QF 0.69" 7 39 7 74 parsed_7jhf 1
8 "peak 43 #plist 1 #SUP 0.78 #QF 0.78" 8 39 8 74 parsed_7jhf 1
9 "peak 49 #plist 1 #SUP 0.90 #QF 0.90" 9 39 9 74 parsed_7jhf 1
10 "peak 51 #plist 1 #SUP 0.80 #QF 0.80" 10 39 10 74 parsed_7jhf 1
11 "peak 52 #plist 1 #SUP 0.82 #QF 0.82" 11 39 11 74 parsed_7jhf 1
12 "peak 53 #plist 1 #SUP 0.90 #QF 0.90" 12 39 12 74 parsed_7jhf 1
13 "peak 56 #plist 1 #SUP 0.84 #QF 0.84" 13 39 13 74 parsed_7jhf 1
14 "peak 57 #plist 1 #SUP 0.79 #QF 0.79" 14 39 14 74 parsed_7jhf 1
15 "peak 58 #plist 1 #SUP 0.88 #QF 0.88" 15 39 15 74 parsed_7jhf 1
16 "peak 59 #plist 1 #SUP 0.86 #QF 0.86" 16 39 16 74 parsed_7jhf 1
17 "peak 69 #plist 1 #SUP 0.66 #QF 0.66" 17 39 17 74 parsed_7jhf 1
18 "peak 70 #plist 1 #SUP 0.83 #QF 0.83" 18 39 18 74 parsed_7jhf 1
19 "peak 88 #plist 1 #SUP 0.77 #QF 0.25" 19 39 19 74 parsed_7jhf 1
20 "peak 90 #plist 1 #SUP 0.78 #QF 0.78" 20 39 20 74 parsed_7jhf 1
21 "peak 92 #plist 1 #SUP 1.00" 21 39 21 65 parsed_7jhf 1
22 "peak 93 #plist 1 #SUP 0.74 #QF 0.74" 22 39 22 74 parsed_7jhf 1
23 "peak 95 #plist 1 #SUP 0.99 #QF 0.99" 23 39 23 74 parsed_7jhf 1
24 "peak 97 #plist 1 #SUP 0.69 #QF 0.69" 24 39 24 74 parsed_7jhf 1
25 "peak 99 #plist 1 #SUP 0.73 #QF 0.73" 25 39 25 74 parsed_7jhf 1
26 "peak 102 #plist 1 #SUP 0.96 #QF 0.96" 26 39 26 75 parsed_7jhf 1
27 "peak 104 #plist 1 #SUP 0.43 #QF 0.43" 27 39 27 75 parsed_7jhf 1
28 "peak 115 #plist 1 #SUP 0.73 #QF 0.50" 28 39 28 75 parsed_7jhf 1
29 "peak 120 #plist 1 #SUP 0.59 #QF 0.59" 29 39 29 75 parsed_7jhf 1
30 "peak 121 #plist 1 #SUP 0.61 #QF 0.61" 30 39 30 75 parsed_7jhf 1
31 "peak 52 #plist 1" 31 39 31 55 parsed_7jhf 1
32 "peak 50 #plist 1" 32 39 32 55 parsed_7jhf 1
33 "peak 99 #plist 1" 33 39 33 55 parsed_7jhf 1
34 "peak 113 #plist 1" 34 39 34 56 parsed_7jhf 1
35 "peak 32 #plist 1" 35 39 35 55 parsed_7jhf 1
36 "peak 45 #plist 1" 36 39 36 55 parsed_7jhf 1
37 "peak 107 #plist 1" 37 39 37 56 parsed_7jhf 1
38 "peak 55 #plist 1" 38 39 38 55 parsed_7jhf 1
39 "peak 46 #plist 1" 39 39 39 55 parsed_7jhf 1
40 "peak 47 #plist 1" 40 39 40 55 parsed_7jhf 1
41 "peak 48 #plist 1" 41 39 41 55 parsed_7jhf 1
42 "peak 93 #plist 1" 42 39 42 55 parsed_7jhf 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_7jhf
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.8 -47.8 . . 4 THR . . . . . . . . . . . . . parsed_7jhf 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -15.0 . . 4 THR . . . . . . . . . . . . . parsed_7jhf 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.9 -44.9 . . 5 ILE . . . . . . . . . . . . . parsed_7jhf 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.2 -21.2 . . 5 ILE . . . . . . . . . . . . . parsed_7jhf 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . . 6 LEU . . . . . . . . . . . . . parsed_7jhf 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.4 -19.4 . . 6 LEU . . . . . . . . . . . . . parsed_7jhf 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.9 -44.9 . . 7 GLY . . . . . . . . . . . . . parsed_7jhf 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.7 -20.7 . . 7 GLY . . . . . . . . . . . . . parsed_7jhf 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 8 PHE . . . . . . . . . . . . . parsed_7jhf 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -24.0 . . 8 PHE . . . . . . . . . . . . . parsed_7jhf 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.9 -44.9 . . 9 LEU . . . . . . . . . . . . . parsed_7jhf 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.8 -14.8 . . 9 LEU . . . . . . . . . . . . . parsed_7jhf 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.2 -52.2 . . 10 LYS . . . . . . . . . . . . . parsed_7jhf 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.6 1.5 . . 10 LYS . . . . . . . . . . . . . parsed_7jhf 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "dihedral angle restraints" 1 1 1 26 parsed_7jhf 1
2 "4 T -67.842 -35.027 5.665 7.978 0.494 0.613 25 14 Strong" 4 1 4 72 parsed_7jhf 1
3 "5 I -64.922 -41.240 5.206 6.292 0.285 0.707 25 15 Strong" 8 1 8 72 parsed_7jhf 1
4 "6 L -65.856 -39.411 5.003 6.413 0.205 0.777 25 14 Strong" 12 1 12 72 parsed_7jhf 1
5 "7 G -64.934 -40.652 4.328 5.226 0.156 0.779 25 14 Strong" 16 1 16 72 parsed_7jhf 1
6 "8 F -64.960 -44.039 5.143 4.553 0.175 0.777 25 14 Strong" 20 1 20 72 parsed_7jhf 1
7 "9 L -64.909 -34.837 4.045 7.187 0.204 0.758 25 15 Strong" 24 1 24 72 parsed_7jhf 1
8 "10 K -72.198 -18.554 5.762 10.030 0.270 0.716 25 14 Strong" 28 1 28 72 parsed_7jhf 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_7jhf
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_7jhf 2
2 1 . . . parsed_7jhf 2
3 1 . . . parsed_7jhf 2
4 1 . . . parsed_7jhf 2
5 1 . . . parsed_7jhf 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 7 GLY H parsed_7jhf 2
1 1 2 . . . . . . . . . 3 GLY O parsed_7jhf 2
2 1 1 . . . . . . . . . 7 GLY N parsed_7jhf 2
2 1 2 . . . . . . . . . 3 GLY O parsed_7jhf 2
3 1 1 . . . . . . . . . 8 PHE H parsed_7jhf 2
3 1 2 . . . . . . . . . 4 THR O parsed_7jhf 2
4 1 1 . . . . . . . . . 8 PHE N parsed_7jhf 2
4 1 2 . . . . . . . . . 4 THR O parsed_7jhf 2
5 1 1 . . . . . . . . . 11 GLY H parsed_7jhf 2
5 1 2 . . . . . . . . . 7 GLY O parsed_7jhf 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 2 parsed_7jhf 2
2 1 . . . . . . . 3 parsed_7jhf 2
3 1 . . . . . . . 2 parsed_7jhf 2
4 1 . . . . . . . 3 parsed_7jhf 2
5 1 . . . . . . . 2 parsed_7jhf 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "hbond restraints" 1 1 1 17 parsed_7jhf 2
stop_
save_
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