NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
630919 |
6aza   |
30342 | cing | 2-parsed | STAR | entry | full | 251 |
data_6aza_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6aza
_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_6aza 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6aza
_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 6aza "Master copy" parsed_6aza
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6aza
_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 6aza.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6aza 1
1 6aza.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 150 parsed_6aza 1
1 6aza.mr . . DYANA/DIANA 3 distance NOE simple 66 parsed_6aza 1
1 6aza.mr . . DYANA/DIANA 4 distance "general distance" simple 12 parsed_6aza 1
1 6aza.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 23 parsed_6aza 1
1 6aza.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6aza 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_6aza
_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 10-SEP-17 6AZA
*TITLE NMR STRUCTURE OF SEA ANEMONE TOXIN KAPPA-ACTITOXIN-ATE1A
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ARG-CYS-LYS-THR-CYS-SER-LYS-GLY-ARG-CYS-ARG-PRO-LYS-PRO-
*COMPND 3 ASN-CYS-GLY-NH2;
*COMPND 4 CHAIN: A;
*COMPND 5 ENGINEERED: YES;
*COMPND 6 OTHER_DETAILS: RCKTCSKGRCRPKPNCG NH2
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: ACTINIA TENEBROSA;
*SOURCE 4 ORGANISM_TAXID: 6105
*KEYWDS SEA ANEMONE; ACTINIA TENEBROSA; NEUROTOXIN; ION CHANNELS, TOXIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR Y.K.-Y.CHIN,B.MADIO,G.F.KING,E.A.B.UNDHEIM
*REVDAT 1 12-SEP-18 6AZA 0
;
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6aza
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 1 ARG . . . . . . . . . . . . . parsed_6aza 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 1 ARG . . . . . . . . . . . . . parsed_6aza 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 1 ARG . . . . . . . . . . . . . parsed_6aza 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 1 ARG . . . . . . . . . . . . . parsed_6aza 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 1 ARG . . . . . . . . . . . . . parsed_6aza 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 1 ARG . . . . . . . . . . . . . parsed_6aza 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6aza 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6aza 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6aza 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6aza 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6aza 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6aza 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 4 THR . . . . . . . . . . . . . parsed_6aza 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 4 THR . . . . . . . . . . . . . parsed_6aza 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 4 THR . . . . . . . . . . . . . parsed_6aza 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 4 THR . . . . . . . . . . . . . parsed_6aza 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 4 THR . . . . . . . . . . . . . parsed_6aza 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 4 THR . . . . . . . . . . . . . parsed_6aza 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 5 CYSS . . . . . . . . . . . . . parsed_6aza 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 5 CYSS . . . . . . . . . . . . . parsed_6aza 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 5 CYSS . . . . . . . . . . . . . parsed_6aza 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 5 CYSS . . . . . . . . . . . . . parsed_6aza 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 5 CYSS . . . . . . . . . . . . . parsed_6aza 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 5 CYSS . . . . . . . . . . . . . parsed_6aza 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 6 SER . . . . . . . . . . . . . parsed_6aza 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 6 SER . . . . . . . . . . . . . parsed_6aza 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 6 SER . . . . . . . . . . . . . parsed_6aza 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 6 SER . . . . . . . . . . . . . parsed_6aza 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 6 SER . . . . . . . . . . . . . parsed_6aza 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 6 SER . . . . . . . . . . . . . parsed_6aza 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 10 CYSS . . . . . . . . . . . . . parsed_6aza 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 10 CYSS . . . . . . . . . . . . . parsed_6aza 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 10 CYSS . . . . . . . . . . . . . parsed_6aza 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 10 CYSS . . . . . . . . . . . . . parsed_6aza 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 10 CYSS . . . . . . . . . . . . . parsed_6aza 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 10 CYSS . . . . . . . . . . . . . parsed_6aza 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 15 ASN . . . . . . . . . . . . . parsed_6aza 1
56 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 15 ASN . . . . . . . . . . . . . parsed_6aza 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 15 ASN . . . . . . . . . . . . . parsed_6aza 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 15 ASN . . . . . . . . . . . . . parsed_6aza 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 15 ASN . . . . . . . . . . . . . parsed_6aza 1
60 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 15 ASN . . . . . . . . . . . . . parsed_6aza 1
61 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 16 CYSS . . . . . . . . . . . . . parsed_6aza 1
62 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 16 CYSS . . . . . . . . . . . . . parsed_6aza 1
63 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 16 CYSS . . . . . . . . . . . . . parsed_6aza 1
64 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 16 CYSS . . . . . . . . . . . . . parsed_6aza 1
65 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 16 CYSS . . . . . . . . . . . . . parsed_6aza 1
66 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 16 CYSS . . . . . . . . . . . . . parsed_6aza 1
67 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 1 ARG . . . . . . . . . . . . . parsed_6aza 1
68 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 1 ARG . . . . . . . . . . . . . parsed_6aza 1
69 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 1 ARG . . . . . . . . . . . . . parsed_6aza 1
70 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 1 ARG . . . . . . . . . . . . . parsed_6aza 1
71 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 1 ARG . . . . . . . . . . . . . parsed_6aza 1
72 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 1 ARG . . . . . . . . . . . . . parsed_6aza 1
73 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 1 ARG . . . . . . . . . . . . . parsed_6aza 1
74 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 1 ARG . . . . . . . . . . . . . parsed_6aza 1
75 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 1 ARG . . . . . . . . . . . . . parsed_6aza 1
76 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6aza 1
77 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6aza 1
78 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6aza 1
79 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
80 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
81 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
82 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
83 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
84 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
85 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
86 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
87 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
88 CHI4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
89 CHI4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
90 CHI4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1
91 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 4 THR . . . . . . . . . . . . . parsed_6aza 1
92 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 4 THR . . . . . . . . . . . . . parsed_6aza 1
93 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 4 THR . . . . . . . . . . . . . parsed_6aza 1
94 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 5 CYSS . . . . . . . . . . . . . parsed_6aza 1
95 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 5 CYSS . . . . . . . . . . . . . parsed_6aza 1
96 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 5 CYSS . . . . . . . . . . . . . parsed_6aza 1
97 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 6 SER . . . . . . . . . . . . . parsed_6aza 1
98 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 6 SER . . . . . . . . . . . . . parsed_6aza 1
99 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 6 SER . . . . . . . . . . . . . parsed_6aza 1
100 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
101 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
102 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
103 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
104 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
105 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
106 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
107 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
108 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
109 CHI4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
110 CHI4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
111 CHI4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 7 LYS . . . . . . . . . . . . . parsed_6aza 1
112 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
113 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
114 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
115 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
116 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
117 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
118 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
119 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
120 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1
121 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 10 CYSS . . . . . . . . . . . . . parsed_6aza 1
122 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 10 CYSS . . . . . . . . . . . . . parsed_6aza 1
123 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 10 CYSS . . . . . . . . . . . . . parsed_6aza 1
124 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 11 ARG . . . . . . . . . . . . . parsed_6aza 1
125 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 11 ARG . . . . . . . . . . . . . parsed_6aza 1
126 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 11 ARG . . . . . . . . . . . . . parsed_6aza 1
127 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 11 ARG . . . . . . . . . . . . . parsed_6aza 1
128 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 11 ARG . . . . . . . . . . . . . parsed_6aza 1
129 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 11 ARG . . . . . . . . . . . . . parsed_6aza 1
130 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 11 ARG . . . . . . . . . . . . . parsed_6aza 1
131 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 11 ARG . . . . . . . . . . . . . parsed_6aza 1
132 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 11 ARG . . . . . . . . . . . . . parsed_6aza 1
133 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1
134 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1
135 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1
136 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1
137 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1
138 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1
139 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1
140 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1
141 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1
142 CHI4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1
143 CHI4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1
144 CHI4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1
145 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 15 ASN . . . . . . . . . . . . . parsed_6aza 1
146 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 15 ASN . . . . . . . . . . . . . parsed_6aza 1
147 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 15 ASN . . . . . . . . . . . . . parsed_6aza 1
148 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 16 CYSS . . . . . . . . . . . . . parsed_6aza 1
149 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 16 CYSS . . . . . . . . . . . . . parsed_6aza 1
150 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 16 CYSS . . . . . . . . . . . . . parsed_6aza 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 "Restraints file 1: ate-final.aco" 1 1 1 34 parsed_6aza 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 type=2 2 43 2 49 parsed_6aza 1
2 type=2 3 43 3 49 parsed_6aza 1
3 "type=2 OR" 4 43 4 52 parsed_6aza 1
4 type=2 5 43 5 49 parsed_6aza 1
5 "type=2 OR" 6 43 6 52 parsed_6aza 1
6 type=2 7 43 7 49 parsed_6aza 1
7 type=2 8 43 8 49 parsed_6aza 1
8 type=2 9 43 9 49 parsed_6aza 1
9 "type=2 OR" 10 43 10 52 parsed_6aza 1
10 type=2 11 43 11 49 parsed_6aza 1
11 "type=2 OR" 12 43 12 52 parsed_6aza 1
12 type=2 13 43 13 49 parsed_6aza 1
13 type=2 14 43 14 49 parsed_6aza 1
14 type=2 15 43 15 49 parsed_6aza 1
15 "type=2 OR" 16 43 16 52 parsed_6aza 1
16 type=2 17 43 17 49 parsed_6aza 1
17 "type=2 OR" 18 43 18 52 parsed_6aza 1
18 type=2 19 43 19 49 parsed_6aza 1
19 type=2 20 43 20 49 parsed_6aza 1
20 type=2 21 43 21 49 parsed_6aza 1
21 "type=2 OR" 22 43 22 52 parsed_6aza 1
22 type=2 23 43 23 49 parsed_6aza 1
23 "type=2 OR" 24 43 24 52 parsed_6aza 1
24 type=2 25 43 25 49 parsed_6aza 1
25 type=2 26 43 26 49 parsed_6aza 1
26 type=2 27 43 27 49 parsed_6aza 1
27 "type=2 OR" 28 43 28 52 parsed_6aza 1
28 type=2 29 43 29 49 parsed_6aza 1
29 "type=2 OR" 30 43 30 52 parsed_6aza 1
30 type=2 31 43 31 49 parsed_6aza 1
31 type=2 32 43 32 49 parsed_6aza 1
32 type=2 33 43 33 49 parsed_6aza 1
33 "type=2 OR" 34 43 34 52 parsed_6aza 1
34 type=2 35 43 35 49 parsed_6aza 1
35 "type=2 OR" 36 43 36 52 parsed_6aza 1
36 type=2 37 43 37 49 parsed_6aza 1
37 type=2 38 43 38 49 parsed_6aza 1
38 type=2 39 43 39 49 parsed_6aza 1
39 "type=2 OR" 40 43 40 52 parsed_6aza 1
40 type=2 41 43 41 49 parsed_6aza 1
41 "type=2 OR" 42 43 42 52 parsed_6aza 1
42 type=2 43 43 43 49 parsed_6aza 1
43 type=2 44 43 44 49 parsed_6aza 1
44 type=2 45 43 45 49 parsed_6aza 1
45 "type=2 OR" 46 43 46 52 parsed_6aza 1
46 type=2 47 43 47 49 parsed_6aza 1
47 "type=2 OR" 48 43 48 52 parsed_6aza 1
48 type=2 49 43 49 49 parsed_6aza 1
49 type=2 50 43 50 49 parsed_6aza 1
50 type=2 51 43 51 49 parsed_6aza 1
51 "type=2 OR" 52 43 52 52 parsed_6aza 1
52 type=2 53 43 53 49 parsed_6aza 1
53 "type=2 OR" 54 43 54 52 parsed_6aza 1
54 type=2 55 43 55 49 parsed_6aza 1
55 type=2 56 43 56 49 parsed_6aza 1
56 type=2 57 43 57 49 parsed_6aza 1
57 "type=2 OR" 58 43 58 52 parsed_6aza 1
58 type=2 59 43 59 49 parsed_6aza 1
59 "type=2 OR" 60 43 60 52 parsed_6aza 1
60 type=2 61 43 61 49 parsed_6aza 1
61 type=2 62 43 62 49 parsed_6aza 1
62 type=2 63 43 63 49 parsed_6aza 1
63 "type=2 OR" 64 43 64 52 parsed_6aza 1
64 type=2 65 43 65 49 parsed_6aza 1
65 "type=2 OR" 66 43 66 52 parsed_6aza 1
66 type=2 67 43 67 49 parsed_6aza 1
67 type=2 68 43 68 49 parsed_6aza 1
68 type=2 69 43 69 49 parsed_6aza 1
69 type=2 70 43 70 49 parsed_6aza 1
70 type=2 71 43 71 49 parsed_6aza 1
71 type=2 72 43 72 49 parsed_6aza 1
72 type=2 73 43 73 49 parsed_6aza 1
73 type=2 74 43 74 49 parsed_6aza 1
74 type=2 75 43 75 49 parsed_6aza 1
75 type=2 76 43 76 49 parsed_6aza 1
76 type=2 77 43 77 49 parsed_6aza 1
77 type=2 78 43 78 49 parsed_6aza 1
78 type=2 79 43 79 49 parsed_6aza 1
79 type=2 80 43 80 49 parsed_6aza 1
80 type=2 81 43 81 49 parsed_6aza 1
81 type=2 82 43 82 49 parsed_6aza 1
82 type=2 83 43 83 49 parsed_6aza 1
83 type=2 84 43 84 49 parsed_6aza 1
84 type=2 85 43 85 49 parsed_6aza 1
85 type=2 86 43 86 49 parsed_6aza 1
86 type=2 87 43 87 49 parsed_6aza 1
87 type=2 88 43 88 49 parsed_6aza 1
88 type=2 89 43 89 49 parsed_6aza 1
89 type=2 90 43 90 49 parsed_6aza 1
90 type=2 91 43 91 49 parsed_6aza 1
91 type=2 92 43 92 49 parsed_6aza 1
92 type=2 93 43 93 49 parsed_6aza 1
93 type=2 94 43 94 49 parsed_6aza 1
94 type=2 95 43 95 49 parsed_6aza 1
95 type=2 96 43 96 49 parsed_6aza 1
96 type=2 97 43 97 49 parsed_6aza 1
97 type=2 98 43 98 49 parsed_6aza 1
98 type=2 99 43 99 49 parsed_6aza 1
99 type=2 100 43 100 49 parsed_6aza 1
100 type=2 101 43 101 49 parsed_6aza 1
101 type=2 102 43 102 49 parsed_6aza 1
102 type=2 103 43 103 49 parsed_6aza 1
103 type=2 104 43 104 49 parsed_6aza 1
104 type=2 105 43 105 49 parsed_6aza 1
105 type=2 106 43 106 49 parsed_6aza 1
106 type=2 107 43 107 49 parsed_6aza 1
107 type=2 108 43 108 49 parsed_6aza 1
108 type=2 109 43 109 49 parsed_6aza 1
109 type=2 110 43 110 49 parsed_6aza 1
110 type=2 111 43 111 49 parsed_6aza 1
111 type=2 112 43 112 49 parsed_6aza 1
112 type=2 113 43 113 49 parsed_6aza 1
113 type=2 114 43 114 49 parsed_6aza 1
114 type=2 115 43 115 49 parsed_6aza 1
115 type=2 116 43 116 49 parsed_6aza 1
116 type=2 117 43 117 49 parsed_6aza 1
117 type=2 118 43 118 49 parsed_6aza 1
118 type=2 119 43 119 49 parsed_6aza 1
119 type=2 120 43 120 49 parsed_6aza 1
120 type=2 121 43 121 49 parsed_6aza 1
121 type=2 122 43 122 49 parsed_6aza 1
122 type=2 123 43 123 49 parsed_6aza 1
123 type=2 124 43 124 49 parsed_6aza 1
124 type=2 125 43 125 49 parsed_6aza 1
125 type=2 126 43 126 49 parsed_6aza 1
126 type=2 127 43 127 49 parsed_6aza 1
127 type=2 128 43 128 49 parsed_6aza 1
128 type=2 129 43 129 49 parsed_6aza 1
129 type=2 130 43 130 49 parsed_6aza 1
130 type=2 131 43 131 49 parsed_6aza 1
131 type=2 132 43 132 49 parsed_6aza 1
132 type=2 133 43 133 49 parsed_6aza 1
133 type=2 134 43 134 49 parsed_6aza 1
134 type=2 135 43 135 49 parsed_6aza 1
135 type=2 136 43 136 49 parsed_6aza 1
136 type=2 137 43 137 49 parsed_6aza 1
137 type=2 138 43 138 49 parsed_6aza 1
138 type=2 139 43 139 49 parsed_6aza 1
139 type=2 140 43 140 49 parsed_6aza 1
140 type=2 141 43 141 49 parsed_6aza 1
141 type=2 142 43 142 49 parsed_6aza 1
142 type=2 143 43 143 49 parsed_6aza 1
143 type=2 144 43 144 49 parsed_6aza 1
144 type=2 145 43 145 49 parsed_6aza 1
145 type=2 146 43 146 49 parsed_6aza 1
146 type=2 147 43 147 49 parsed_6aza 1
147 type=2 148 43 148 49 parsed_6aza 1
148 type=2 149 43 149 49 parsed_6aza 1
149 type=2 150 43 150 49 parsed_6aza 1
150 type=2 151 43 151 49 parsed_6aza 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6aza
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_6aza 1
2 1 . . . parsed_6aza 1
3 1 . . . parsed_6aza 1
4 1 . . . parsed_6aza 1
5 1 . . . parsed_6aza 1
6 1 . . . parsed_6aza 1
7 1 . . . parsed_6aza 1
8 1 . . . parsed_6aza 1
9 1 . . . parsed_6aza 1
10 1 . . . parsed_6aza 1
11 1 . . . parsed_6aza 1
12 1 . . . parsed_6aza 1
13 1 . . . parsed_6aza 1
14 1 . . . parsed_6aza 1
15 1 . . . parsed_6aza 1
16 1 . . . parsed_6aza 1
17 1 . . . parsed_6aza 1
18 1 . . . parsed_6aza 1
19 1 . . . parsed_6aza 1
20 1 . . . parsed_6aza 1
21 1 . . . parsed_6aza 1
22 1 . . . parsed_6aza 1
23 1 . . . parsed_6aza 1
24 1 . . . parsed_6aza 1
25 1 . . . parsed_6aza 1
26 1 . . . parsed_6aza 1
27 1 . . . parsed_6aza 1
28 1 . . . parsed_6aza 1
29 1 . . . parsed_6aza 1
30 1 . . . parsed_6aza 1
31 1 . . . parsed_6aza 1
32 1 . . . parsed_6aza 1
33 1 . . . parsed_6aza 1
34 1 . . . parsed_6aza 1
35 1 . . . parsed_6aza 1
36 1 . . . parsed_6aza 1
37 1 . . . parsed_6aza 1
38 1 . . . parsed_6aza 1
39 1 . . . parsed_6aza 1
40 1 . . . parsed_6aza 1
41 1 . . . parsed_6aza 1
42 1 . . . parsed_6aza 1
43 1 . . . parsed_6aza 1
44 1 . . . parsed_6aza 1
45 1 . . . parsed_6aza 1
46 1 . . . parsed_6aza 1
47 1 . . . parsed_6aza 1
48 1 . . . parsed_6aza 1
49 1 . . . parsed_6aza 1
50 1 . . . parsed_6aza 1
51 1 . . . parsed_6aza 1
52 1 . . . parsed_6aza 1
53 1 . . . parsed_6aza 1
54 1 . . . parsed_6aza 1
55 1 . . . parsed_6aza 1
56 1 . . . parsed_6aza 1
57 1 . . . parsed_6aza 1
58 1 . . . parsed_6aza 1
59 1 . . . parsed_6aza 1
60 1 . . . parsed_6aza 1
61 1 . . . parsed_6aza 1
62 1 . . . parsed_6aza 1
63 1 . . . parsed_6aza 1
64 1 . . . parsed_6aza 1
65 1 . . . parsed_6aza 1
66 1 . . . parsed_6aza 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 . . . . . . . . . 10 CYSS HB2 parsed_6aza 1
1 1 2 . . . . . . . . . 11 ARG H parsed_6aza 1
2 1 1 . . . . . . . . . 4 THR HB parsed_6aza 1
2 1 2 . . . . . . . . . 5 CYSS H parsed_6aza 1
3 1 1 . . . . . . . . . 11 ARG H parsed_6aza 1
3 1 2 . . . . . . . . . 11 ARG QD parsed_6aza 1
4 1 1 . . . . . . . . . 10 CYSS HB3 parsed_6aza 1
4 1 2 . . . . . . . . . 11 ARG H parsed_6aza 1
5 1 1 . . . . . . . . . 4 THR QG2 parsed_6aza 1
5 1 2 . . . . . . . . . 5 CYSS H parsed_6aza 1
6 1 1 . . . . . . . . . 11 ARG H parsed_6aza 1
6 1 2 . . . . . . . . . 11 ARG QG parsed_6aza 1
7 1 1 . . . . . . . . . 4 THR H parsed_6aza 1
7 1 2 . . . . . . . . . 5 CYSS H parsed_6aza 1
8 1 1 . . . . . . . . . 7 LYS H parsed_6aza 1
8 1 2 . . . . . . . . . 8 GLY H parsed_6aza 1
9 1 1 . . . . . . . . . 8 GLY H parsed_6aza 1
9 1 2 . . . . . . . . . 9 ARG H parsed_6aza 1
10 1 1 . . . . . . . . . 6 SER H parsed_6aza 1
10 1 2 . . . . . . . . . 9 ARG H parsed_6aza 1
11 1 1 . . . . . . . . . 9 ARG H parsed_6aza 1
11 1 2 . . . . . . . . . 10 CYSS H parsed_6aza 1
12 1 1 . . . . . . . . . 4 THR H parsed_6aza 1
12 1 2 . . . . . . . . . 4 THR QG2 parsed_6aza 1
13 1 1 . . . . . . . . . 7 LYS HB3 parsed_6aza 1
13 1 2 . . . . . . . . . 8 GLY H parsed_6aza 1
14 1 1 . . . . . . . . . 3 LYS HB2 parsed_6aza 1
14 1 2 . . . . . . . . . 4 THR H parsed_6aza 1
15 1 1 . . . . . . . . . 3 LYS HB3 parsed_6aza 1
15 1 2 . . . . . . . . . 4 THR H parsed_6aza 1
16 1 1 . . . . . . . . . 7 LYS HB2 parsed_6aza 1
16 1 2 . . . . . . . . . 8 GLY H parsed_6aza 1
17 1 1 . . . . . . . . . 3 LYS H parsed_6aza 1
17 1 2 . . . . . . . . . 3 LYS HG3 parsed_6aza 1
18 1 1 . . . . . . . . . 3 LYS H parsed_6aza 1
18 1 2 . . . . . . . . . 3 LYS HG2 parsed_6aza 1
19 1 1 . . . . . . . . . 3 LYS H parsed_6aza 1
19 1 2 . . . . . . . . . 3 LYS QE parsed_6aza 1
20 1 1 . . . . . . . . . 14 PRO HD3 parsed_6aza 1
20 1 2 . . . . . . . . . 15 ASN H parsed_6aza 1
21 1 1 . . . . . . . . . 13 LYS H parsed_6aza 1
21 1 2 . . . . . . . . . 13 LYS QD parsed_6aza 1
22 1 1 . . . . . . . . . 13 LYS H parsed_6aza 1
22 1 2 . . . . . . . . . 13 LYS QE parsed_6aza 1
23 1 1 . . . . . . . . . 14 PRO HD2 parsed_6aza 1
23 1 2 . . . . . . . . . 15 ASN H parsed_6aza 1
24 1 1 . . . . . . . . . 16 CYSS HB2 parsed_6aza 1
24 1 2 . . . . . . . . . 17 GLY H parsed_6aza 1
25 1 1 . . . . . . . . . 16 CYSS HB3 parsed_6aza 1
25 1 2 . . . . . . . . . 17 GLY H parsed_6aza 1
26 1 1 . . . . . . . . . 13 LYS H parsed_6aza 1
26 1 2 . . . . . . . . . 13 LYS QG parsed_6aza 1
27 1 1 . . . . . . . . . 13 LYS QG parsed_6aza 1
27 1 2 . . . . . . . . . 15 ASN H parsed_6aza 1
28 1 1 . . . . . . . . . 12 PRO HG3 parsed_6aza 1
28 1 2 . . . . . . . . . 13 LYS H parsed_6aza 1
29 1 1 . . . . . . . . . 12 PRO HG2 parsed_6aza 1
29 1 2 . . . . . . . . . 13 LYS H parsed_6aza 1
30 1 1 . . . . . . . . . 9 ARG H parsed_6aza 1
30 1 2 . . . . . . . . . 9 ARG HG2 parsed_6aza 1
31 1 1 . . . . . . . . . 9 ARG H parsed_6aza 1
31 1 2 . . . . . . . . . 9 ARG HG3 parsed_6aza 1
32 1 1 . . . . . . . . . 13 LYS H parsed_6aza 1
32 1 2 . . . . . . . . . 14 PRO HD2 parsed_6aza 1
33 1 1 . . . . . . . . . 13 LYS H parsed_6aza 1
33 1 2 . . . . . . . . . 14 PRO HD3 parsed_6aza 1
34 1 1 . . . . . . . . . 7 LYS HA parsed_6aza 1
34 1 2 . . . . . . . . . 9 ARG H parsed_6aza 1
35 1 1 . . . . . . . . . 5 CYSS HB3 parsed_6aza 1
35 1 2 . . . . . . . . . 6 SER H parsed_6aza 1
36 1 1 . . . . . . . . . 5 CYSS HB2 parsed_6aza 1
36 1 2 . . . . . . . . . 6 SER H parsed_6aza 1
37 1 1 . . . . . . . . . 11 ARG QG parsed_6aza 1
37 1 2 . . . . . . . . . 12 PRO HD3 parsed_6aza 1
38 1 1 . . . . . . . . . 13 LYS QD parsed_6aza 1
38 1 2 . . . . . . . . . 14 PRO HD2 parsed_6aza 1
39 1 1 . . . . . . . . . 11 ARG QG parsed_6aza 1
39 1 2 . . . . . . . . . 12 PRO HD2 parsed_6aza 1
40 1 1 . . . . . . . . . 13 LYS QD parsed_6aza 1
40 1 2 . . . . . . . . . 14 PRO HD3 parsed_6aza 1
41 1 1 . . . . . . . . . 5 CYSS HB2 parsed_6aza 1
41 1 2 . . . . . . . . . 10 CYSS HA parsed_6aza 1
42 1 1 . . . . . . . . . 5 CYSS HB3 parsed_6aza 1
42 1 2 . . . . . . . . . 10 CYSS HA parsed_6aza 1
43 1 1 . . . . . . . . . 7 LYS HA parsed_6aza 1
43 1 2 . . . . . . . . . 7 LYS QD parsed_6aza 1
44 1 1 . . . . . . . . . 11 ARG HA parsed_6aza 1
44 1 2 . . . . . . . . . 12 PRO HG3 parsed_6aza 1
45 1 1 . . . . . . . . . 11 ARG HA parsed_6aza 1
45 1 2 . . . . . . . . . 12 PRO HG2 parsed_6aza 1
46 1 1 . . . . . . . . . 13 LYS QG parsed_6aza 1
46 1 2 . . . . . . . . . 14 PRO HD2 parsed_6aza 1
47 1 1 . . . . . . . . . 13 LYS QG parsed_6aza 1
47 1 2 . . . . . . . . . 14 PRO HD3 parsed_6aza 1
48 1 1 . . . . . . . . . 9 ARG HA parsed_6aza 1
48 1 2 . . . . . . . . . 9 ARG HG2 parsed_6aza 1
49 1 1 . . . . . . . . . 9 ARG HA parsed_6aza 1
49 1 2 . . . . . . . . . 9 ARG HG3 parsed_6aza 1
50 1 1 . . . . . . . . . 1 ARG QB parsed_6aza 1
50 1 2 . . . . . . . . . 1 ARG QD parsed_6aza 1
51 1 1 . . . . . . . . . 1 ARG QG parsed_6aza 1
51 1 2 . . . . . . . . . 1 ARG QD parsed_6aza 1
52 1 1 . . . . . . . . . 11 ARG QG parsed_6aza 1
52 1 2 . . . . . . . . . 11 ARG QD parsed_6aza 1
53 1 1 . . . . . . . . . 3 LYS QG parsed_6aza 1
53 1 2 . . . . . . . . . 4 THR H parsed_6aza 1
54 1 1 . . . . . . . . . 6 SER H parsed_6aza 1
54 1 2 . . . . . . . . . 9 ARG QB parsed_6aza 1
55 1 1 . . . . . . . . . 7 LYS QB parsed_6aza 1
55 1 2 . . . . . . . . . 8 GLY QA parsed_6aza 1
56 1 1 . . . . . . . . . 7 LYS QG parsed_6aza 1
56 1 2 . . . . . . . . . 8 GLY H parsed_6aza 1
57 1 1 . . . . . . . . . 9 ARG HA parsed_6aza 1
57 1 2 . . . . . . . . . 9 ARG QB parsed_6aza 1
58 1 1 . . . . . . . . . 9 ARG QB parsed_6aza 1
58 1 2 . . . . . . . . . 9 ARG QD parsed_6aza 1
59 1 1 . . . . . . . . . 9 ARG QG parsed_6aza 1
59 1 2 . . . . . . . . . 9 ARG QD parsed_6aza 1
60 1 1 . . . . . . . . . 11 ARG QB parsed_6aza 1
60 1 2 . . . . . . . . . 11 ARG QD parsed_6aza 1
61 1 1 . . . . . . . . . 11 ARG QB parsed_6aza 1
61 1 2 . . . . . . . . . 12 PRO QD parsed_6aza 1
62 1 1 . . . . . . . . . 12 PRO QD parsed_6aza 1
62 1 2 . . . . . . . . . 13 LYS H parsed_6aza 1
63 1 1 . . . . . . . . . 13 LYS H parsed_6aza 1
63 1 2 . . . . . . . . . 16 CYSS QB parsed_6aza 1
64 1 1 . . . . . . . . . 13 LYS QB parsed_6aza 1
64 1 2 . . . . . . . . . 14 PRO QD parsed_6aza 1
65 1 1 . . . . . . . . . 13 LYS QB parsed_6aza 1
65 1 2 . . . . . . . . . 15 ASN H parsed_6aza 1
66 1 1 . . . . . . . . . 14 PRO QG parsed_6aza 1
66 1 2 . . . . . . . . . 15 ASN H parsed_6aza 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 . . . . . . . 5.50 parsed_6aza 1
2 1 . . . . . . . 5.50 parsed_6aza 1
3 1 . . . . . . . 5.50 parsed_6aza 1
4 1 . . . . . . . 5.50 parsed_6aza 1
5 1 . . . . . . . 5.50 parsed_6aza 1
6 1 . . . . . . . 5.50 parsed_6aza 1
7 1 . . . . . . . 5.50 parsed_6aza 1
8 1 . . . . . . . 5.50 parsed_6aza 1
9 1 . . . . . . . 5.50 parsed_6aza 1
10 1 . . . . . . . 5.50 parsed_6aza 1
11 1 . . . . . . . 5.50 parsed_6aza 1
12 1 . . . . . . . 5.50 parsed_6aza 1
13 1 . . . . . . . 5.50 parsed_6aza 1
14 1 . . . . . . . 5.50 parsed_6aza 1
15 1 . . . . . . . 5.50 parsed_6aza 1
16 1 . . . . . . . 5.50 parsed_6aza 1
17 1 . . . . . . . 5.50 parsed_6aza 1
18 1 . . . . . . . 5.50 parsed_6aza 1
19 1 . . . . . . . 5.50 parsed_6aza 1
20 1 . . . . . . . 5.50 parsed_6aza 1
21 1 . . . . . . . 5.50 parsed_6aza 1
22 1 . . . . . . . 5.50 parsed_6aza 1
23 1 . . . . . . . 5.50 parsed_6aza 1
24 1 . . . . . . . 5.50 parsed_6aza 1
25 1 . . . . . . . 5.50 parsed_6aza 1
26 1 . . . . . . . 5.50 parsed_6aza 1
27 1 . . . . . . . 5.50 parsed_6aza 1
28 1 . . . . . . . 5.50 parsed_6aza 1
29 1 . . . . . . . 5.50 parsed_6aza 1
30 1 . . . . . . . 5.50 parsed_6aza 1
31 1 . . . . . . . 5.50 parsed_6aza 1
32 1 . . . . . . . 5.50 parsed_6aza 1
33 1 . . . . . . . 5.50 parsed_6aza 1
34 1 . . . . . . . 5.50 parsed_6aza 1
35 1 . . . . . . . 5.50 parsed_6aza 1
36 1 . . . . . . . 5.50 parsed_6aza 1
37 1 . . . . . . . 5.50 parsed_6aza 1
38 1 . . . . . . . 5.50 parsed_6aza 1
39 1 . . . . . . . 5.50 parsed_6aza 1
40 1 . . . . . . . 5.50 parsed_6aza 1
41 1 . . . . . . . 5.50 parsed_6aza 1
42 1 . . . . . . . 5.50 parsed_6aza 1
43 1 . . . . . . . 5.50 parsed_6aza 1
44 1 . . . . . . . 5.50 parsed_6aza 1
45 1 . . . . . . . 5.50 parsed_6aza 1
46 1 . . . . . . . 5.50 parsed_6aza 1
47 1 . . . . . . . 5.50 parsed_6aza 1
48 1 . . . . . . . 2.70 parsed_6aza 1
49 1 . . . . . . . 2.70 parsed_6aza 1
50 1 . . . . . . . 2.40 parsed_6aza 1
51 1 . . . . . . . 2.62 parsed_6aza 1
52 1 . . . . . . . 2.87 parsed_6aza 1
53 1 . . . . . . . 5.34 parsed_6aza 1
54 1 . . . . . . . 5.34 parsed_6aza 1
55 1 . . . . . . . 5.18 parsed_6aza 1
56 1 . . . . . . . 5.34 parsed_6aza 1
57 1 . . . . . . . 2.52 parsed_6aza 1
58 1 . . . . . . . 2.39 parsed_6aza 1
59 1 . . . . . . . 2.31 parsed_6aza 1
60 1 . . . . . . . 2.39 parsed_6aza 1
61 1 . . . . . . . 4.53 parsed_6aza 1
62 1 . . . . . . . 4.96 parsed_6aza 1
63 1 . . . . . . . 5.34 parsed_6aza 1
64 1 . . . . . . . 4.76 parsed_6aza 1
65 1 . . . . . . . 5.34 parsed_6aza 1
66 1 . . . . . . . 5.03 parsed_6aza 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 2: ate-final.upl" 1 1 1 34 parsed_6aza 1
2 "peak 8 #SUP 0.80 #QF 0.80" 2 49 2 74 parsed_6aza 1
3 "peak 18 #SUP 0.96 #QF 0.96" 3 49 3 75 parsed_6aza 1
4 "peak 19 #SUP 0.75 #QF 0.75" 4 49 4 75 parsed_6aza 1
5 "peak 22 #SUP 0.91 #QF 0.91" 5 49 5 75 parsed_6aza 1
6 "peak 23 #SUP 0.89 #QF 0.89" 6 49 6 75 parsed_6aza 1
7 "peak 26 #SUP 0.94 #QF 0.94" 7 49 7 75 parsed_6aza 1
8 "peak 43 #SUP 0.78 #QF 0.78" 8 49 8 75 parsed_6aza 1
9 "peak 44 #SUP 0.93 #QF 0.93" 9 49 9 75 parsed_6aza 1
10 "peak 45 #SUP 0.96 #QF 0.96" 10 49 10 75 parsed_6aza 1
11 "peak 46 #SUP 0.97 #QF 0.55" 11 49 11 75 parsed_6aza 1
12 "peak 46 #SUP 0.97 #QF 0.55" 12 49 12 75 parsed_6aza 1
13 "peak 58 #SUP 1.00" 13 49 13 66 parsed_6aza 1
14 "peak 59 #SUP 0.94 #QF 0.94" 14 49 14 75 parsed_6aza 1
15 "peak 60 #SUP 0.96 #QF 0.85" 15 49 15 75 parsed_6aza 1
16 "peak 60 #SUP 0.96 #QF 0.85" 16 49 16 75 parsed_6aza 1
17 "peak 62 #SUP 0.97 #QF 0.97" 17 49 17 75 parsed_6aza 1
18 "peak 63 #SUP 0.99 #QF 0.99" 18 49 18 75 parsed_6aza 1
19 "peak 70 #SUP 0.95 #QF 0.95" 19 49 19 75 parsed_6aza 1
20 "peak 75 #SUP 0.79 #QF 0.79" 20 49 20 75 parsed_6aza 1
21 "peak 77 #SUP 0.97 #QF 0.97" 21 49 21 75 parsed_6aza 1
22 "peak 83 #SUP 0.73 #QF 0.73" 22 49 22 75 parsed_6aza 1
23 "peak 86 #SUP 0.82 #QF 0.75" 23 49 23 75 parsed_6aza 1
24 "peak 106 #SUP 0.99 #QF 0.99" 24 49 24 76 parsed_6aza 1
25 "peak 107 #SUP 1.00" 25 49 25 67 parsed_6aza 1
26 "peak 108 #SUP 0.95 #QF 0.95" 26 49 26 76 parsed_6aza 1
27 "peak 134 #SUP 1.00" 27 49 27 67 parsed_6aza 1
28 "peak 135 #SUP 0.98 #QF 0.98" 28 49 28 76 parsed_6aza 1
29 "peak 140 #SUP 0.79 #QF 0.79" 29 49 29 76 parsed_6aza 1
30 "peak 141 #SUP 0.88 #QF 0.88" 30 49 30 76 parsed_6aza 1
31 "peak 145 #SUP 0.83 #QF 0.83" 31 49 31 76 parsed_6aza 1
32 "peak 146 #SUP 0.98 #QF 0.98" 32 49 32 76 parsed_6aza 1
33 "peak 149 #SUP 0.98 #QF 0.73" 33 49 33 76 parsed_6aza 1
34 "peak 150 #SUP 1.00" 34 49 34 67 parsed_6aza 1
35 "peak 156 #SUP 0.89 #QF 0.67" 35 49 35 76 parsed_6aza 1
36 "peak 163 #SUP 0.78 #QF 0.35" 36 49 36 76 parsed_6aza 1
37 "peak 165 #SUP 0.75 #QF 0.51" 37 49 37 76 parsed_6aza 1
38 "peak 195 #SUP 0.94 #QF 0.89" 38 49 38 76 parsed_6aza 1
39 "peak 195 #SUP 0.94 #QF 0.89" 39 49 39 76 parsed_6aza 1
40 "peak 198 #SUP 0.87 #QF 0.87" 40 49 40 76 parsed_6aza 1
41 "peak 207 #SUP 0.61 #QF 0.21" 41 49 41 76 parsed_6aza 1
42 "peak 218 #SUP 0.93 #QF 0.90" 42 49 42 76 parsed_6aza 1
43 "peak 219 #SUP 0.75 #QF 0.28" 43 49 43 76 parsed_6aza 1
44 "peak 232 #SUP 0.81 #QF 0.81" 44 49 44 76 parsed_6aza 1
45 "peak 241 #SUP 0.83 #QF 0.83" 45 49 45 76 parsed_6aza 1
46 "peak 242 #SUP 0.91 #QF 0.91" 46 49 46 76 parsed_6aza 1
47 "peak 252 #SUP 1.00" 47 49 47 67 parsed_6aza 1
48 "peak 253 #SUP 0.99 #QF 0.25" 48 49 48 76 parsed_6aza 1
49 "peak 268 #SUP 0.86 #QF 0.86" 49 49 49 76 parsed_6aza 1
50 "peak 269 #SUP 0.90 #QF 0.90" 50 49 50 76 parsed_6aza 1
51 "peak 273 #SUP 1.00" 51 49 51 67 parsed_6aza 1
52 "peak 276 #SUP 1.00 #QF 0.66" 52 49 52 76 parsed_6aza 1
53 "peak 276 #SUP 1.00 #QF 0.66" 53 49 53 76 parsed_6aza 1
54 "peak 57" 54 49 54 56 parsed_6aza 1
55 "peak 61" 55 49 55 56 parsed_6aza 1
56 "peak 206" 56 49 56 57 parsed_6aza 1
57 "peak 57" 57 49 57 56 parsed_6aza 1
58 "peak 267" 58 49 58 57 parsed_6aza 1
59 "peak 277" 59 49 59 57 parsed_6aza 1
60 "peak 271" 60 49 60 57 parsed_6aza 1
61 "peak 275" 61 49 61 57 parsed_6aza 1
62 "peak 199" 62 49 62 57 parsed_6aza 1
63 "peak 149" 63 49 63 57 parsed_6aza 1
64 "peak 86" 64 49 64 56 parsed_6aza 1
65 "peak 208" 65 49 65 57 parsed_6aza 1
66 "peak 137" 66 49 66 57 parsed_6aza 1
67 "peak 67" 67 49 67 56 parsed_6aza 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6aza
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "general distance"
_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_6aza 2
2 1 . . . parsed_6aza 2
3 1 . . . parsed_6aza 2
4 1 . . . parsed_6aza 2
5 1 . . . parsed_6aza 2
6 1 . . . parsed_6aza 2
7 1 . . . parsed_6aza 2
8 1 . . . parsed_6aza 2
9 1 . . . parsed_6aza 2
10 1 . . . parsed_6aza 2
11 1 . . . parsed_6aza 2
12 1 . . . parsed_6aza 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 5 CYSS SG parsed_6aza 2
1 1 2 . . . . . . . . . 10 CYSS SG parsed_6aza 2
2 1 1 . . . . . . . . . 5 CYSS SG parsed_6aza 2
2 1 2 . . . . . . . . . 10 CYSS CB parsed_6aza 2
3 1 1 . . . . . . . . . 5 CYSS CB parsed_6aza 2
3 1 2 . . . . . . . . . 10 CYSS SG parsed_6aza 2
4 1 1 . . . . . . . . . 16 CYSS SG parsed_6aza 2
4 1 2 . . . . . . . . . 2 CYSS SG parsed_6aza 2
5 1 1 . . . . . . . . . 16 CYSS SG parsed_6aza 2
5 1 2 . . . . . . . . . 2 CYSS CB parsed_6aza 2
6 1 1 . . . . . . . . . 16 CYSS CB parsed_6aza 2
6 1 2 . . . . . . . . . 2 CYSS SG parsed_6aza 2
7 1 1 . . . . . . . . . 5 CYSS SG parsed_6aza 2
7 1 2 . . . . . . . . . 10 CYSS SG parsed_6aza 2
8 1 1 . . . . . . . . . 5 CYSS SG parsed_6aza 2
8 1 2 . . . . . . . . . 10 CYSS CB parsed_6aza 2
9 1 1 . . . . . . . . . 5 CYSS CB parsed_6aza 2
9 1 2 . . . . . . . . . 10 CYSS SG parsed_6aza 2
10 1 1 . . . . . . . . . 16 CYSS SG parsed_6aza 2
10 1 2 . . . . . . . . . 2 CYSS SG parsed_6aza 2
11 1 1 . . . . . . . . . 16 CYSS SG parsed_6aza 2
11 1 2 . . . . . . . . . 2 CYSS CB parsed_6aza 2
12 1 1 . . . . . . . . . 16 CYSS CB parsed_6aza 2
12 1 2 . . . . . . . . . 2 CYSS SG parsed_6aza 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 . . . . . . . 2.10 parsed_6aza 2
2 1 . . . . . . . 3.10 parsed_6aza 2
3 1 . . . . . . . 3.10 parsed_6aza 2
4 1 . . . . . . . 2.10 parsed_6aza 2
5 1 . . . . . . . 3.10 parsed_6aza 2
6 1 . . . . . . . 3.10 parsed_6aza 2
7 1 . . . . . . . 2.00 parsed_6aza 2
8 1 . . . . . . . 3.00 parsed_6aza 2
9 1 . . . . . . . 3.00 parsed_6aza 2
10 1 . . . . . . . 2.00 parsed_6aza 2
11 1 . . . . . . . 3.00 parsed_6aza 2
12 1 . . . . . . . 3.00 parsed_6aza 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 "Restraints file 3: ate-ssbond.upl" 1 1 1 35 parsed_6aza 2
2 "Restraints file 4: ate-ssbond.lol" 8 1 8 35 parsed_6aza 2
stop_
save_
save_DYANA/DIANA_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6aza
_Torsion_angle_constraint_list.ID 2
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.8 -45.3 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 2
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.5 166.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 2
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.4 -42.4 . . 4 THR . . . . . . . . . . . . . parsed_6aza 2
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.7 156.7 . . 4 THR . . . . . . . . . . . . . parsed_6aza 2
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.1 -43.4 . . 5 CYSS . . . . . . . . . . . . . parsed_6aza 2
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.8 174.9 . . 5 CYSS . . . . . . . . . . . . . parsed_6aza 2
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68.0 108.0 . . 8 GLY . . . . . . . . . . . . . parsed_6aza 2
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.4 13.6 . . 8 GLY . . . . . . . . . . . . . parsed_6aza 2
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.4 -56.7 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 2
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.8 152.8 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 2
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.9 -41.5 . . 10 CYSS . . . . . . . . . . . . . parsed_6aza 2
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 160.9 . . 10 CYSS . . . . . . . . . . . . . parsed_6aza 2
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.8 -47.4 . . 11 ARG . . . . . . . . . . . . . parsed_6aza 2
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 175.4 . . 11 ARG . . . . . . . . . . . . . parsed_6aza 2
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.9 165.9 . . 12 PRO . . . . . . . . . . . . . parsed_6aza 2
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.8 -42.8 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 2
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.8 156.8 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 2
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.9 -1.9 . . 14 PRO . . . . . . . . . . . . . parsed_6aza 2
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.8 -65.8 . . 15 ASN . . . . . . . . . . . . . parsed_6aza 2
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.4 12.6 . . 15 ASN . . . . . . . . . . . . . parsed_6aza 2
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.4 -42.1 . . 6 SER . . . . . . . . . . . . . parsed_6aza 2
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.3 170.3 . . 6 SER . . . . . . . . . . . . . parsed_6aza 2
23 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 2
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 "Restraints file 5: ate.aco" 1 1 1 28 parsed_6aza 2
2 "REMARK error margins are set to conservative default values of double the standard deviation" 2 1 2 96 parsed_6aza 2
3 "observed in TALOS-N capped at a minimum of +/-20 degree." 3 1 3 66 parsed_6aza 2
4 "Phi/Psi Angles From 'Strong' Predictions" 5 1 5 43 parsed_6aza 2
5 "Phi/Psi Angles From 'Generous' Predictions" 27 1 27 45 parsed_6aza 2
6 "Chi1 angle" 31 1 31 11 parsed_6aza 2
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save_
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