NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
611651 |
2nar   |
25944 | cing | 2-parsed | STAR | entry | full | 144 |
data_2nar_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2nar
_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_2nar 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2nar
_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 2nar "Master copy" parsed_2nar
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2nar
_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 2nar.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2nar 1
1 2nar.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 122 parsed_2nar 1
1 2nar.mr . . XEASY 3 peak "Not applicable" "Not applicable" 0 parsed_2nar 1
1 2nar.mr . . XEASY 4 peak "Not applicable" "Not applicable" 0 parsed_2nar 1
1 2nar.mr . . XEASY 5 peak "Not applicable" "Not applicable" 0 parsed_2nar 1
1 2nar.mr . . XEASY 6 peak "Not applicable" "Not applicable" 0 parsed_2nar 1
1 2nar.mr . . DYANA/DIANA 7 distance NOE simple 22 parsed_2nar 1
1 2nar.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2nar 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_2nar
_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 PROTEIN BINDING 08-JAN-16 2NAR
*TITLE SOLUTION STRUCTURE OF AVR3A_60-147 FROM PHYTOPHTHORA INFESTANS
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: EFFECTOR PROTEIN AVR3A;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: EFFECTOR PROTEIN AVR3A_KI;
*COMPND 5 ENGINEERED: YES;
*COMPND 6 MUTATION: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: PHYTOPHTHORA INFESTANS;
*SOURCE 3 ORGANISM_COMMON: POTATO LATE BLIGHT FUNGUS;
*SOURCE 4 ORGANISM_TAXID: 4787;
*SOURCE 5 GENE: AVR3A, PI35.0050, PI49.0530, PUTATIVE;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET21B
*KEYWDS PROTEIN BINDING
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR A.MATENA, P.BAYER, I.ZHUKOV, J.STANEK, W.KOZMINSKI, P.VAN WEST,
*AUTHOR 2 S.WAWRA
*REVDAT 1 11-JAN-17 2NAR 0
;
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2nar
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.1 122.5 . . 14 ASN . . . . . . . . . . . . . parsed_2nar 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.6 65.5 . . 14 ASN . . . . . . . . . . . . . parsed_2nar 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 -38.0 . . 15 VAL . . . . . . . . . . . . . parsed_2nar 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.8 -10.8 . . 15 VAL . . . . . . . . . . . . . parsed_2nar 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.1 -49.1 . . 16 ALA . . . . . . . . . . . . . parsed_2nar 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.4 -9.4 . . 16 ALA . . . . . . . . . . . . . parsed_2nar 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 -64.2 . . 17 ALA . . . . . . . . . . . . . parsed_2nar 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.6 24.2 . . 17 ALA . . . . . . . . . . . . . parsed_2nar 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.4 -56.2 . . 18 LEU . . . . . . . . . . . . . parsed_2nar 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.0 187.9 . . 18 LEU . . . . . . . . . . . . . parsed_2nar 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.5 -39.1 . . 19 THR . . . . . . . . . . . . . parsed_2nar 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.4 184.2 . . 19 THR . . . . . . . . . . . . . parsed_2nar 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.1 -34.1 . . 21 ARG . . . . . . . . . . . . . parsed_2nar 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.5 -26.5 . . 21 ARG . . . . . . . . . . . . . parsed_2nar 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.3 -39.3 . . 22 ALA . . . . . . . . . . . . . parsed_2nar 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.1 -21.1 . . 22 ALA . . . . . . . . . . . . . parsed_2nar 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.4 -46.4 . . 23 ASP . . . . . . . . . . . . . parsed_2nar 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 -19.8 . . 23 ASP . . . . . . . . . . . . . parsed_2nar 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.9 -43.9 . . 24 ALA . . . . . . . . . . . . . parsed_2nar 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.2 -20.2 . . 24 ALA . . . . . . . . . . . . . parsed_2nar 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.8 -41.8 . . 25 LYS . . . . . . . . . . . . . parsed_2nar 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.2 -28.2 . . 25 LYS . . . . . . . . . . . . . parsed_2nar 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.6 -39.6 . . 26 LYS . . . . . . . . . . . . . parsed_2nar 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.1 -26.1 . . 26 LYS . . . . . . . . . . . . . parsed_2nar 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 27 LEU . . . . . . . . . . . . . parsed_2nar 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -21.0 . . 27 LEU . . . . . . . . . . . . . parsed_2nar 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.2 -39.2 . . 28 ALA . . . . . . . . . . . . . parsed_2nar 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.4 -25.4 . . 28 ALA . . . . . . . . . . . . . parsed_2nar 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -41.0 . . 29 LYS . . . . . . . . . . . . . parsed_2nar 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.9 -21.9 . . 29 LYS . . . . . . . . . . . . . parsed_2nar 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.9 -37.9 . . 35 ASP . . . . . . . . . . . . . parsed_2nar 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.1 -13.9 . . 35 ASP . . . . . . . . . . . . . parsed_2nar 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.9 -43.9 . . 36 LYS . . . . . . . . . . . . . parsed_2nar 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.4 -23.4 . . 36 LYS . . . . . . . . . . . . . parsed_2nar 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.4 -45.4 . . 37 LEU . . . . . . . . . . . . . parsed_2nar 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.9 -19.9 . . 37 LEU . . . . . . . . . . . . . parsed_2nar 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.2 -43.2 . . 38 ALA . . . . . . . . . . . . . parsed_2nar 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.5 -22.5 . . 38 ALA . . . . . . . . . . . . . parsed_2nar 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -42.0 . . 39 ASP . . . . . . . . . . . . . parsed_2nar 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.1 -21.1 . . 39 ASP . . . . . . . . . . . . . parsed_2nar 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 40 ALA . . . . . . . . . . . . . parsed_2nar 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.4 -15.8 . . 40 ALA . . . . . . . . . . . . . parsed_2nar 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.4 -39.4 . . 41 ALA . . . . . . . . . . . . . parsed_2nar 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.4 -25.4 . . 41 ALA . . . . . . . . . . . . . parsed_2nar 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.6 -44.6 . . 42 TYR . . . . . . . . . . . . . parsed_2nar 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.4 -10.8 . . 42 TYR . . . . . . . . . . . . . parsed_2nar 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.4 -45.4 . . 43 ILE . . . . . . . . . . . . . parsed_2nar 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.1 -17.1 . . 43 ILE . . . . . . . . . . . . . parsed_2nar 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.3 -47.3 . . 44 TRP . . . . . . . . . . . . . parsed_2nar 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.4 -21.4 . . 44 TRP . . . . . . . . . . . . . parsed_2nar 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.7 -42.7 . . 45 TRP . . . . . . . . . . . . . parsed_2nar 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.2 -23.6 . . 45 TRP . . . . . . . . . . . . . parsed_2nar 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.9 -38.9 . . 46 GLN . . . . . . . . . . . . . parsed_2nar 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.7 -20.7 . . 46 GLN . . . . . . . . . . . . . parsed_2nar 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.2 -40.3 . . 47 HIS . . . . . . . . . . . . . parsed_2nar 1
56 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.8 18.3 . . 47 HIS . . . . . . . . . . . . . parsed_2nar 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.5 -74.5 . . 48 ASN . . . . . . . . . . . . . parsed_2nar 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.2 31.8 . . 48 ASN . . . . . . . . . . . . . parsed_2nar 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39.0 83.0 . . 49 ARG . . . . . . . . . . . . . parsed_2nar 1
60 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.9 56.5 . . 49 ARG . . . . . . . . . . . . . parsed_2nar 1
61 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.8 -56.0 . . 50 VAL . . . . . . . . . . . . . parsed_2nar 1
62 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.3 157.4 . . 50 VAL . . . . . . . . . . . . . parsed_2nar 1
63 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.6 -43.8 . . 51 THR . . . . . . . . . . . . . parsed_2nar 1
64 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 144.1 193.2 . . 51 THR . . . . . . . . . . . . . parsed_2nar 1
65 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.3 -39.3 . . 52 LEU . . . . . . . . . . . . . parsed_2nar 1
66 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 -19.8 . . 52 LEU . . . . . . . . . . . . . parsed_2nar 1
67 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.1 -42.1 . . 53 ASP . . . . . . . . . . . . . parsed_2nar 1
68 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -21.0 . . 53 ASP . . . . . . . . . . . . . parsed_2nar 1
69 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 -43.0 . . 54 GLN . . . . . . . . . . . . . parsed_2nar 1
70 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.4 -25.4 . . 54 GLN . . . . . . . . . . . . . parsed_2nar 1
71 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.4 -46.4 . . 55 ILE . . . . . . . . . . . . . parsed_2nar 1
72 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.4 -19.4 . . 55 ILE . . . . . . . . . . . . . parsed_2nar 1
73 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.9 -40.9 . . 56 ASP . . . . . . . . . . . . . parsed_2nar 1
74 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.7 -17.7 . . 56 ASP . . . . . . . . . . . . . parsed_2nar 1
75 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.6 -45.6 . . 57 THR . . . . . . . . . . . . . parsed_2nar 1
76 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 57 THR . . . . . . . . . . . . . parsed_2nar 1
77 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 58 PHE . . . . . . . . . . . . . parsed_2nar 1
78 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -25.0 . . 58 PHE . . . . . . . . . . . . . parsed_2nar 1
79 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.6 -40.6 . . 59 LEU . . . . . . . . . . . . . parsed_2nar 1
80 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.7 -22.7 . . 59 LEU . . . . . . . . . . . . . parsed_2nar 1
81 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.7 -44.7 . . 60 LYS . . . . . . . . . . . . . parsed_2nar 1
82 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . . 60 LYS . . . . . . . . . . . . . parsed_2nar 1
83 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 61 LEU . . . . . . . . . . . . . parsed_2nar 1
84 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.1 -14.2 . . 61 LEU . . . . . . . . . . . . . parsed_2nar 1
85 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.8 -45.4 . . 62 ALA . . . . . . . . . . . . . parsed_2nar 1
86 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.0 6.6 . . 62 ALA . . . . . . . . . . . . . parsed_2nar 1
87 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36.2 76.2 . . 67 GLN . . . . . . . . . . . . . parsed_2nar 1
88 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16.0 61.4 . . 67 GLN . . . . . . . . . . . . . parsed_2nar 1
89 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.4 -42.4 . . 69 ALA . . . . . . . . . . . . . parsed_2nar 1
90 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.2 -18.2 . . 69 ALA . . . . . . . . . . . . . parsed_2nar 1
91 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.2 -45.0 . . 70 LYS . . . . . . . . . . . . . parsed_2nar 1
92 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 -2.3 . . 70 LYS . . . . . . . . . . . . . parsed_2nar 1
93 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.4 -44.4 . . 72 ASN . . . . . . . . . . . . . parsed_2nar 1
94 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.4 -15.1 . . 72 ASN . . . . . . . . . . . . . parsed_2nar 1
95 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.8 -42.8 . . 73 GLN . . . . . . . . . . . . . parsed_2nar 1
96 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.1 -22.1 . . 73 GLN . . . . . . . . . . . . . parsed_2nar 1
97 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.1 -45.1 . . 74 ILE . . . . . . . . . . . . . parsed_2nar 1
98 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.6 -20.6 . . 74 ILE . . . . . . . . . . . . . parsed_2nar 1
99 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.5 -44.5 . . 75 TYR . . . . . . . . . . . . . parsed_2nar 1
100 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.9 -23.9 . . 75 TYR . . . . . . . . . . . . . parsed_2nar 1
101 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 76 ASN . . . . . . . . . . . . . parsed_2nar 1
102 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.5 -14.5 . . 76 ASN . . . . . . . . . . . . . parsed_2nar 1
103 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.6 -42.6 . . 77 SER . . . . . . . . . . . . . parsed_2nar 1
104 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.4 -23.4 . . 77 SER . . . . . . . . . . . . . parsed_2nar 1
105 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 78 TYR . . . . . . . . . . . . . parsed_2nar 1
106 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.5 -21.5 . . 78 TYR . . . . . . . . . . . . . parsed_2nar 1
107 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.6 -41.6 . . 79 MET . . . . . . . . . . . . . parsed_2nar 1
108 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -23.0 . . 79 MET . . . . . . . . . . . . . parsed_2nar 1
109 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.5 -43.5 . . 80 MET . . . . . . . . . . . . . parsed_2nar 1
110 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.5 -18.5 . . 80 MET . . . . . . . . . . . . . parsed_2nar 1
111 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.7 -44.7 . . 81 HIS . . . . . . . . . . . . . parsed_2nar 1
112 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.9 -22.9 . . 81 HIS . . . . . . . . . . . . . parsed_2nar 1
113 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.6 -65.6 . . 82 LEU . . . . . . . . . . . . . parsed_2nar 1
114 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.9 23.2 . . 82 LEU . . . . . . . . . . . . . parsed_2nar 1
115 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67.3 115.5 . . 83 GLY . . . . . . . . . . . . . parsed_2nar 1
116 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.0 37.9 . . 83 GLY . . . . . . . . . . . . . parsed_2nar 1
117 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.9 -42.9 . . 96 LYS . . . . . . . . . . . . . parsed_2nar 1
118 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.4 -15.4 . . 96 LYS . . . . . . . . . . . . . parsed_2nar 1
119 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.7 -44.7 . . 97 LEU . . . . . . . . . . . . . parsed_2nar 1
120 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 -15.1 . . 97 LEU . . . . . . . . . . . . . parsed_2nar 1
121 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.9 -43.9 . . 98 ALA . . . . . . . . . . . . . parsed_2nar 1
122 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -15.0 . . 98 ALA . . . . . . . . . . . . . parsed_2nar 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 angles from TALOS+ (number 10 corresponds to amino acid E71)" 1 3 1 72 parsed_2nar 1
2 "10 GLU PHI -79.2 -39.2" 2 3 2 34 parsed_2nar 1
3 "10 GLU PSI -58.2 -11.0" 3 3 3 34 parsed_2nar 1
4 "11 GLU PHI -86.9 -46.9" 4 3 4 34 parsed_2nar 1
5 "11 GLU PSI -63.9 -0.2" 5 3 5 34 parsed_2nar 1
6 "12 MET PHI -104.3 -46.2" 6 3 6 34 parsed_2nar 1
7 "12 MET PSI -53.8 -0.4" 7 3 7 34 parsed_2nar 1
8 "13 PHE PHI -113.6 -68.0" 8 3 8 34 parsed_2nar 1
9 "13 PHE PSI -13.0 27.0" 9 3 9 34 parsed_2nar 1
10 "30 GLN PHI -85.8 -45.8" 40 3 40 34 parsed_2nar 1
11 "30 GLN PSI -62.6 -22.6" 41 3 41 34 parsed_2nar 1
12 "31 LEU PHI -85.3 -45.3" 42 3 42 34 parsed_2nar 1
13 "31 LEU PSI -57.9 -13.0" 43 3 43 34 parsed_2nar 1
14 "32 MET PHI -106.8 -59.5" 44 3 44 34 parsed_2nar 1
15 "32 MET PSI -45.6 17.0" 45 3 45 34 parsed_2nar 1
16 "33 GLY PHI 59.2 115.8" 46 3 46 34 parsed_2nar 1
17 "33 GLY PSI -12.0 37.9" 47 3 47 34 parsed_2nar 1
stop_
save_
save_DYANA/DIANA_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2nar
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2nar 1
2 1 . . . parsed_2nar 1
3 1 . . . parsed_2nar 1
4 1 . . . parsed_2nar 1
5 1 . . . parsed_2nar 1
6 1 . . . parsed_2nar 1
7 1 . . . parsed_2nar 1
8 1 . . . parsed_2nar 1
9 1 . . . parsed_2nar 1
10 1 . . . parsed_2nar 1
11 1 . . . parsed_2nar 1
12 1 . . . parsed_2nar 1
13 1 . . . parsed_2nar 1
14 1 . . . parsed_2nar 1
15 1 . . . parsed_2nar 1
16 1 . . . parsed_2nar 1
17 1 . . . parsed_2nar 1
18 1 . . . parsed_2nar 1
19 1 . . . parsed_2nar 1
20 1 . . . parsed_2nar 1
21 1 . . . parsed_2nar 1
22 1 . . . parsed_2nar 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 . . . . . . . . . 13 PHE HA parsed_2nar 1
1 1 2 . . . . . . . . . 45 TRP HE1 parsed_2nar 1
2 1 1 . . . . . . . . . 13 PHE QB parsed_2nar 1
2 1 2 . . . . . . . . . 45 TRP HE1 parsed_2nar 1
3 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
3 1 2 . . . . . . . . . 44 TRP HA parsed_2nar 1
4 1 1 . . . . . . . . . 13 PHE QD parsed_2nar 1
4 1 2 . . . . . . . . . 44 TRP HB3 parsed_2nar 1
5 1 1 . . . . . . . . . 13 PHE QB parsed_2nar 1
5 1 2 . . . . . . . . . 44 TRP HZ3 parsed_2nar 1
6 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
6 1 2 . . . . . . . . . 44 TRP HB3 parsed_2nar 1
7 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
7 1 2 . . . . . . . . . 44 TRP HB2 parsed_2nar 1
8 1 1 . . . . . . . . . 13 PHE QB parsed_2nar 1
8 1 2 . . . . . . . . . 45 TRP HZ2 parsed_2nar 1
9 1 1 . . . . . . . . . 13 PHE QB parsed_2nar 1
9 1 2 . . . . . . . . . 45 TRP HH2 parsed_2nar 1
10 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
10 1 2 . . . . . . . . . 45 TRP HE1 parsed_2nar 1
11 1 1 . . . . . . . . . 13 PHE QD parsed_2nar 1
11 1 2 . . . . . . . . . 45 TRP H parsed_2nar 1
12 1 1 . . . . . . . . . 13 PHE H parsed_2nar 1
12 1 2 . . . . . . . . . 45 TRP HE1 parsed_2nar 1
13 1 1 . . . . . . . . . 13 PHE QD parsed_2nar 1
13 1 2 . . . . . . . . . 45 TRP HE1 parsed_2nar 1
14 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
14 1 2 . . . . . . . . . 44 TRP HE1 parsed_2nar 1
15 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
15 1 2 . . . . . . . . . 45 TRP H parsed_2nar 1
16 1 1 . . . . . . . . . 13 PHE HZ parsed_2nar 1
16 1 2 . . . . . . . . . 44 TRP HD1 parsed_2nar 1
17 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
17 1 2 . . . . . . . . . 44 TRP H parsed_2nar 1
18 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
18 1 2 . . . . . . . . . 44 TRP HE3 parsed_2nar 1
19 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
19 1 2 . . . . . . . . . 44 TRP HZ2 parsed_2nar 1
20 1 1 . . . . . . . . . 13 PHE QD parsed_2nar 1
20 1 2 . . . . . . . . . 44 TRP HZ3 parsed_2nar 1
21 1 1 . . . . . . . . . 13 PHE QB parsed_2nar 1
21 1 2 . . . . . . . . . 44 TRP HE3 parsed_2nar 1
22 1 1 . . . . . . . . . 13 PHE QB parsed_2nar 1
22 1 2 . . . . . . . . . 45 TRP HD1 parsed_2nar 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 . . . . . . . 4.54 parsed_2nar 1
2 1 . . . . . . . 4.18 parsed_2nar 1
3 1 . . . . . . . 5.09 parsed_2nar 1
4 1 . . . . . . . 4.53 parsed_2nar 1
5 1 . . . . . . . 4.78 parsed_2nar 1
6 1 . . . . . . . 3.75 parsed_2nar 1
7 1 . . . . . . . 3.30 parsed_2nar 1
8 1 . . . . . . . 5.02 parsed_2nar 1
9 1 . . . . . . . 4.88 parsed_2nar 1
10 1 . . . . . . . 5.98 parsed_2nar 1
11 1 . . . . . . . 5.28 parsed_2nar 1
12 1 . . . . . . . 5.32 parsed_2nar 1
13 1 . . . . . . . 5.00 parsed_2nar 1
14 1 . . . . . . . 4.64 parsed_2nar 1
15 1 . . . . . . . 5.21 parsed_2nar 1
16 1 . . . . . . . 5.61 parsed_2nar 1
17 1 . . . . . . . 4.94 parsed_2nar 1
18 1 . . . . . . . 4.63 parsed_2nar 1
19 1 . . . . . . . 5.27 parsed_2nar 1
20 1 . . . . . . . 4.23 parsed_2nar 1
21 1 . . . . . . . 3.98 parsed_2nar 1
22 1 . . . . . . . 4.06 parsed_2nar 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 "additional upper distance limit, set fixed by re-analyzing the 2D-NOESY manually" 1 1 1 81 parsed_2nar 1
2 "peak 452 #SUP 0.88 #QF 0.88" 2 49 2 81 parsed_2nar 1
3 "peak 453 #SUP 0.90 #QF 0.90" 3 49 3 81 parsed_2nar 1
4 "peak 948 #SUP 0.82 #QF 0.82 #4.6" 4 49 4 86 parsed_2nar 1
5 "peak 1000 #SUP 1.00" 5 49 5 70 parsed_2nar 1
6 "peak 1009 #SUP 0.67 #QF 0.67 #5.1" 6 49 6 86 parsed_2nar 1
7 "peak 1013 #SUP 0.94 #QF 0.94 #3.5" 7 49 7 86 parsed_2nar 1
8 "peak 1014 #SUP 0.79 #QF 0.79 #3.0" 8 49 8 86 parsed_2nar 1
9 "peak 1015 #SUP 0.88 #QF 0.82" 9 49 9 81 parsed_2nar 1
10 "peak 1056 #SUP 0.28 #QF 0.28 #4.3" 10 49 10 86 parsed_2nar 1
11 "peak 1279 #SUP 0.91 #QF 0.91 #6.0" 11 49 11 86 parsed_2nar 1
12 "peak 1280 #SUP 0.87 #QF 0.87" 12 49 12 81 parsed_2nar 1
13 "peak 1299 #SUP 0.99 #QF 0.99 #6.2" 13 49 13 86 parsed_2nar 1
14 "peak 1300 #SUP 0.98 #QF 0.46 #6.0" 14 49 14 86 parsed_2nar 1
15 "peak 1303 #SUP 0.93 #QF 0.93 #5.0" 15 49 15 86 parsed_2nar 1
16 "peak 1305 #SUP 0.97 #QF 0.97 #5.0" 16 49 16 86 parsed_2nar 1
17 "peak 1402 #SUP 0.66 #QF 0.56" 17 49 17 81 parsed_2nar 1
18 "peak 1415 #SUP 1.00" 18 49 18 74 parsed_2nar 1
19 "peak 1421 #SUP 0.99 #QF 0.26" 19 49 19 81 parsed_2nar 1
20 "peak 1422 #SUP 1.00 #5.8" 20 49 20 78 parsed_2nar 1
21 "13 PHE QE 44 TRP HZ3 5.58 #peak 1437 #SUP 0.75 #QF 0.75 #5.8" 21 2 21 87 parsed_2nar 1
22 "peak 1452 #SUP 0.33 #QF 0.33" 22 49 22 82 parsed_2nar 1
23 "peak 2109 #SUP 0.93 #QF 0.93 #3.0" 23 49 23 86 parsed_2nar 1
24 "peak 2111 #SUP 0.99 #QF 0.91 #3.5" 24 49 24 86 parsed_2nar 1
stop_
save_
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