NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
537592 |
2lab   |
17519 | cing | 2-parsed | STAR | entry | full | 142 |
data_2lab_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lab
_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_2lab 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lab
_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 2lab "Master copy" parsed_2lab
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lab
_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 2lab.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lab 1
1 2lab.mr . . DYANA/DIANA 2 unknown "Not applicable" "Not applicable" 0 parsed_2lab 1
1 2lab.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 97 parsed_2lab 1
1 2lab.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 45 parsed_2lab 1
1 2lab.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lab 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_2lab
_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 HYDROLASE 09-MAR-11 2LAB
*TITLE SOLUTION STRUCUTURE OF THE CBM25-2 OF BETA/ALPHA-AMYLASE FROM
*TITLE 2 PAENIBACILLUS POLYMYXA
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: BETA/ALPHA-AMYLASE;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: UNP RESIDUES 565-668;
*COMPND 5 SYNONYM: BETA-AMYLASE, ALPHA-AMYLASE;
*COMPND 6 EC: 3.2.1.2, 3.2.1.1;
*COMPND 7 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS POLYMYXA;
*SOURCE 3 ORGANISM_COMMON: BACILLUS POLYMYXA;
*SOURCE 4 ORGANISM_TAXID: 1406;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET16B
*KEYWDS SBD, CBM25, HYDROLASE
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR R.TAKAHASHI, S.NISHIMURA, T.OHKUBO, T.YOSHIDA
*REVDAT 1 04-APR-12 2LAB 0
;
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lab
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -315.0 -25.0 . . 536 VAL . . . . . . . . . . . . . parsed_2lab 1
2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 65.0 . . 536 VAL . . . . . . . . . . . . . parsed_2lab 1
3 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 195.0 . . 536 VAL . . . . . . . . . . . . . parsed_2lab 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -35.0 . . 537 THR . . . . . . . . . . . . . parsed_2lab 1
5 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 195.0 . . 537 THR . . . . . . . . . . . . . parsed_2lab 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -315.0 -25.0 . . 538 VAL . . . . . . . . . . . . . parsed_2lab 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 85.0 . . 538 VAL . . . . . . . . . . . . . parsed_2lab 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 185.0 . . 538 VAL . . . . . . . . . . . . . parsed_2lab 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -325.0 -25.0 . . 539 TYR . . . . . . . . . . . . . parsed_2lab 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 65.0 . . 539 TYR . . . . . . . . . . . . . parsed_2lab 1
11 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 205.0 . . 539 TYR . . . . . . . . . . . . . parsed_2lab 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -315.0 -25.0 . . 540 TYR . . . . . . . . . . . . . parsed_2lab 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.0 65.0 . . 540 TYR . . . . . . . . . . . . . parsed_2lab 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 205.0 . . 540 TYR . . . . . . . . . . . . . parsed_2lab 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 335.0 . . 542 LYS . . . . . . . . . . . . . parsed_2lab 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 95.0 . . 542 LYS . . . . . . . . . . . . . parsed_2lab 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -325.0 -25.0 . . 548 TYR . . . . . . . . . . . . . parsed_2lab 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 65.0 . . 548 TYR . . . . . . . . . . . . . parsed_2lab 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 205.0 . . 548 TYR . . . . . . . . . . . . . parsed_2lab 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -275.0 45.0 . . 548 TYR . . . . . . . . . . . . . parsed_2lab 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 325.0 . . 549 ILE . . . . . . . . . . . . . parsed_2lab 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 95.0 . . 549 ILE . . . . . . . . . . . . . parsed_2lab 1
23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 205.0 . . 549 ILE . . . . . . . . . . . . . parsed_2lab 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -325.0 -25.0 . . 550 HIS . . . . . . . . . . . . . parsed_2lab 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.0 75.0 . . 550 HIS . . . . . . . . . . . . . parsed_2lab 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 205.0 . . 550 HIS . . . . . . . . . . . . . parsed_2lab 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -285.0 35.0 . . 550 HIS . . . . . . . . . . . . . parsed_2lab 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 325.0 . . 551 TYR . . . . . . . . . . . . . parsed_2lab 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 75.0 . . 551 TYR . . . . . . . . . . . . . parsed_2lab 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 205.0 . . 551 TYR . . . . . . . . . . . . . parsed_2lab 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 335.0 . . 552 ARG . . . . . . . . . . . . . parsed_2lab 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.0 95.0 . . 552 ARG . . . . . . . . . . . . . parsed_2lab 1
33 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -305.0 -45.0 . . 552 ARG . . . . . . . . . . . . . parsed_2lab 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 185.0 . . 552 ARG . . . . . . . . . . . . . parsed_2lab 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 295.0 . . 554 ALA . . . . . . . . . . . . . parsed_2lab 1
36 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 95.0 . . 554 ALA . . . . . . . . . . . . . parsed_2lab 1
37 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 135.0 . . 554 ALA . . . . . . . . . . . . . parsed_2lab 1
38 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 335.0 . . 560 ALA . . . . . . . . . . . . . parsed_2lab 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 95.0 . . 560 ALA . . . . . . . . . . . . . parsed_2lab 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 205.0 . . 560 ALA . . . . . . . . . . . . . parsed_2lab 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 335.0 . . 574 TYR . . . . . . . . . . . . . parsed_2lab 1
42 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 85.0 . . 574 TYR . . . . . . . . . . . . . parsed_2lab 1
43 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 215.0 . . 574 TYR . . . . . . . . . . . . . parsed_2lab 1
44 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -325.0 -25.0 . . 575 ALA . . . . . . . . . . . . . parsed_2lab 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 95.0 . . 575 ALA . . . . . . . . . . . . . parsed_2lab 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 205.0 . . 575 ALA . . . . . . . . . . . . . parsed_2lab 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -55.0 . . 577 ILE . . . . . . . . . . . . . parsed_2lab 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 195.0 . . 577 ILE . . . . . . . . . . . . . parsed_2lab 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -145.0 . . 578 THR . . . . . . . . . . . . . parsed_2lab 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 125.0 . . 578 THR . . . . . . . . . . . . . parsed_2lab 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 315.0 . . 579 VAL . . . . . . . . . . . . . parsed_2lab 1
52 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 65.0 . . 579 VAL . . . . . . . . . . . . . parsed_2lab 1
53 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.0 145.0 . . 579 VAL . . . . . . . . . . . . . parsed_2lab 1
54 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -35.0 . . 580 ASP . . . . . . . . . . . . . parsed_2lab 1
55 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 185.0 . . 580 ASP . . . . . . . . . . . . . parsed_2lab 1
56 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 325.0 . . 581 ILE . . . . . . . . . . . . . parsed_2lab 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.0 85.0 . . 581 ILE . . . . . . . . . . . . . parsed_2lab 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 75.0 . . 581 ILE . . . . . . . . . . . . . parsed_2lab 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -35.0 . . 588 GLU . . . . . . . . . . . . . parsed_2lab 1
60 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 185.0 . . 588 GLU . . . . . . . . . . . . . parsed_2lab 1
61 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -315.0 -25.0 . . 589 ALA . . . . . . . . . . . . . parsed_2lab 1
62 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 95.0 . . 589 ALA . . . . . . . . . . . . . parsed_2lab 1
63 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 195.0 . . 589 ALA . . . . . . . . . . . . . parsed_2lab 1
64 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 335.0 . . 590 ALA . . . . . . . . . . . . . parsed_2lab 1
65 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 95.0 . . 590 ALA . . . . . . . . . . . . . parsed_2lab 1
66 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 215.0 . . 590 ALA . . . . . . . . . . . . . parsed_2lab 1
67 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 335.0 . . 591 PHE . . . . . . . . . . . . . parsed_2lab 1
68 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 85.0 . . 591 PHE . . . . . . . . . . . . . parsed_2lab 1
69 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 205.0 . . 591 PHE . . . . . . . . . . . . . parsed_2lab 1
70 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 175.0 . . 591 PHE . . . . . . . . . . . . . parsed_2lab 1
71 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 335.0 . . 592 ASN . . . . . . . . . . . . . parsed_2lab 1
72 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.0 95.0 . . 592 ASN . . . . . . . . . . . . . parsed_2lab 1
73 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.0 215.0 . . 592 ASN . . . . . . . . . . . . . parsed_2lab 1
74 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 325.0 . . 598 TRP . . . . . . . . . . . . . parsed_2lab 1
75 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 95.0 . . 598 TRP . . . . . . . . . . . . . parsed_2lab 1
76 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 225.0 . . 598 TRP . . . . . . . . . . . . . parsed_2lab 1
77 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 335.0 . . 599 ASP . . . . . . . . . . . . . parsed_2lab 1
78 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 75.0 . . 599 ASP . . . . . . . . . . . . . parsed_2lab 1
79 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 215.0 . . 599 ASP . . . . . . . . . . . . . parsed_2lab 1
80 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 335.0 . . 600 SER . . . . . . . . . . . . . parsed_2lab 1
81 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.0 95.0 . . 600 SER . . . . . . . . . . . . . parsed_2lab 1
82 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 125.0 . . 600 SER . . . . . . . . . . . . . parsed_2lab 1
83 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -35.0 . . 607 LEU . . . . . . . . . . . . . parsed_2lab 1
84 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 185.0 . . 607 LEU . . . . . . . . . . . . . parsed_2lab 1
85 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.0 255.0 . . 612 THR . . . . . . . . . . . . . parsed_2lab 1
86 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 85.0 . . 612 THR . . . . . . . . . . . . . parsed_2lab 1
87 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 145.0 . . 612 THR . . . . . . . . . . . . . parsed_2lab 1
88 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -325.0 -25.0 . . 614 THR . . . . . . . . . . . . . parsed_2lab 1
89 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 85.0 . . 614 THR . . . . . . . . . . . . . parsed_2lab 1
90 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 205.0 . . 614 THR . . . . . . . . . . . . . parsed_2lab 1
91 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -285.0 35.0 . . 614 THR . . . . . . . . . . . . . parsed_2lab 1
92 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -315.0 -25.0 . . 615 TYR . . . . . . . . . . . . . parsed_2lab 1
93 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.0 65.0 . . 615 TYR . . . . . . . . . . . . . parsed_2lab 1
94 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 185.0 . . 615 TYR . . . . . . . . . . . . . parsed_2lab 1
95 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 185.0 . . 615 TYR . . . . . . . . . . . . . parsed_2lab 1
96 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -35.0 . . 628 THR . . . . . . . . . . . . . parsed_2lab 1
97 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 185.0536 . . 628 THR . . . . . . . . . . . . . parsed_2lab 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 "VAL HN 579 VAL O 2.00" 97 37 97 69 parsed_2lab 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2lab
_Distance_constraint_list.ID 1
_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_2lab 1
2 1 . . . parsed_2lab 1
3 1 . . . parsed_2lab 1
4 1 . . . parsed_2lab 1
5 1 . . . parsed_2lab 1
6 1 . . . parsed_2lab 1
7 1 . . . parsed_2lab 1
8 1 . . . parsed_2lab 1
9 1 . . . parsed_2lab 1
10 1 . . . parsed_2lab 1
11 1 . . . parsed_2lab 1
12 1 . . . parsed_2lab 1
13 1 . . . parsed_2lab 1
14 1 . . . parsed_2lab 1
15 1 . . . parsed_2lab 1
16 1 . . . parsed_2lab 1
17 1 . . . parsed_2lab 1
18 1 . . . parsed_2lab 1
19 1 . . . parsed_2lab 1
20 1 . . . parsed_2lab 1
21 1 . . . parsed_2lab 1
22 1 . . . parsed_2lab 1
23 1 . . . parsed_2lab 1
24 1 . . . parsed_2lab 1
25 1 . . . parsed_2lab 1
26 1 . . . parsed_2lab 1
27 1 . . . parsed_2lab 1
28 1 . . . parsed_2lab 1
29 1 . . . parsed_2lab 1
30 1 . . . parsed_2lab 1
31 1 . . . parsed_2lab 1
32 1 . . . parsed_2lab 1
33 1 . . . parsed_2lab 1
34 1 . . . parsed_2lab 1
35 1 . . . parsed_2lab 1
36 1 . . . parsed_2lab 1
37 1 . . . parsed_2lab 1
38 1 . . . parsed_2lab 1
39 1 . . . parsed_2lab 1
40 1 . . . parsed_2lab 1
41 1 . . . parsed_2lab 1
42 1 . . . parsed_2lab 1
43 1 . . . parsed_2lab 1
44 1 . . . parsed_2lab 1
45 1 . . . parsed_2lab 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 . . . . . . . . . 536 VAL N parsed_2lab 1
1 1 2 . . . . . . . . . 579 VAL O parsed_2lab 1
2 1 1 . . . . . . . . . 538 VAL HN parsed_2lab 1
2 1 2 . . . . . . . . . 577 ILE O parsed_2lab 1
3 1 1 . . . . . . . . . 538 VAL N parsed_2lab 1
3 1 2 . . . . . . . . . 577 ILE O parsed_2lab 1
4 1 1 . . . . . . . . . 539 TYR HN parsed_2lab 1
4 1 2 . . . . . . . . . 613 SER O parsed_2lab 1
5 1 1 . . . . . . . . . 539 TYR N parsed_2lab 1
5 1 2 . . . . . . . . . 613 SER O parsed_2lab 1
6 1 1 . . . . . . . . . 540 TYR HN parsed_2lab 1
6 1 2 . . . . . . . . . 575 ALA O parsed_2lab 1
7 1 1 . . . . . . . . . 540 TYR N parsed_2lab 1
7 1 2 . . . . . . . . . 575 ALA O parsed_2lab 1
8 1 1 . . . . . . . . . 549 ILE HN parsed_2lab 1
8 1 2 . . . . . . . . . 564 VAL O parsed_2lab 1
9 1 1 . . . . . . . . . 549 ILE N parsed_2lab 1
9 1 2 . . . . . . . . . 564 VAL O parsed_2lab 1
10 1 1 . . . . . . . . . 550 HIS HN parsed_2lab 1
10 1 2 . . . . . . . . . 590 ALA O parsed_2lab 1
11 1 1 . . . . . . . . . 550 HIS N parsed_2lab 1
11 1 2 . . . . . . . . . 590 ALA O parsed_2lab 1
12 1 1 . . . . . . . . . 552 ARG HN parsed_2lab 1
12 1 2 . . . . . . . . . 588 GLU O parsed_2lab 1
13 1 1 . . . . . . . . . 552 ARG N parsed_2lab 1
13 1 2 . . . . . . . . . 588 GLU O parsed_2lab 1
14 1 1 . . . . . . . . . 554 ALA HN parsed_2lab 1
14 1 2 . . . . . . . . . 586 GLN O parsed_2lab 1
15 1 1 . . . . . . . . . 554 ALA N parsed_2lab 1
15 1 2 . . . . . . . . . 586 GLN O parsed_2lab 1
16 1 1 . . . . . . . . . 564 VAL HN parsed_2lab 1
16 1 2 . . . . . . . . . 549 ILE O parsed_2lab 1
17 1 1 . . . . . . . . . 564 VAL N parsed_2lab 1
17 1 2 . . . . . . . . . 549 ILE O parsed_2lab 1
18 1 1 . . . . . . . . . 569 ALA HN parsed_2lab 1
18 1 2 . . . . . . . . . 574 TYR O parsed_2lab 1
19 1 1 . . . . . . . . . 569 ALA N parsed_2lab 1
19 1 2 . . . . . . . . . 574 TYR O parsed_2lab 1
20 1 1 . . . . . . . . . 575 ALA HN parsed_2lab 1
20 1 2 . . . . . . . . . 540 TYR O parsed_2lab 1
21 1 1 . . . . . . . . . 575 ALA N parsed_2lab 1
21 1 2 . . . . . . . . . 540 TYR O parsed_2lab 1
22 1 1 . . . . . . . . . 577 ILE HN parsed_2lab 1
22 1 2 . . . . . . . . . 538 VAL O parsed_2lab 1
23 1 1 . . . . . . . . . 577 ILE N parsed_2lab 1
23 1 2 . . . . . . . . . 538 VAL O parsed_2lab 1
24 1 1 . . . . . . . . . 579 VAL HN parsed_2lab 1
24 1 2 . . . . . . . . . 536 VAL O parsed_2lab 1
25 1 1 . . . . . . . . . 579 VAL N parsed_2lab 1
25 1 2 . . . . . . . . . 536 VAL O parsed_2lab 1
26 1 1 . . . . . . . . . 587 LEU HN parsed_2lab 1
26 1 2 . . . . . . . . . 608 PHE O parsed_2lab 1
27 1 1 . . . . . . . . . 587 LEU N parsed_2lab 1
27 1 2 . . . . . . . . . 608 PHE O parsed_2lab 1
28 1 1 . . . . . . . . . 588 GLU HN parsed_2lab 1
28 1 2 . . . . . . . . . 552 ARG O parsed_2lab 1
29 1 1 . . . . . . . . . 588 GLU N parsed_2lab 1
29 1 2 . . . . . . . . . 552 ARG O parsed_2lab 1
30 1 1 . . . . . . . . . 590 ALA HN parsed_2lab 1
30 1 2 . . . . . . . . . 550 HIS O parsed_2lab 1
31 1 1 . . . . . . . . . 590 ALA N parsed_2lab 1
31 1 2 . . . . . . . . . 550 HIS O parsed_2lab 1
32 1 1 . . . . . . . . . 592 ASN HN parsed_2lab 1
32 1 2 . . . . . . . . . 548 TYR O parsed_2lab 1
33 1 1 . . . . . . . . . 592 ASN N parsed_2lab 1
33 1 2 . . . . . . . . . 548 TYR O parsed_2lab 1
34 1 1 . . . . . . . . . 599 ASP HN parsed_2lab 1
34 1 2 . . . . . . . . . 591 PHE O parsed_2lab 1
35 1 1 . . . . . . . . . 599 ASP N parsed_2lab 1
35 1 2 . . . . . . . . . 591 PHE O parsed_2lab 1
36 1 1 . . . . . . . . . 608 PHE HN parsed_2lab 1
36 1 2 . . . . . . . . . 587 LEU O parsed_2lab 1
37 1 1 . . . . . . . . . 608 PHE N parsed_2lab 1
37 1 2 . . . . . . . . . 587 LEU O parsed_2lab 1
38 1 1 . . . . . . . . . 613 SER HN parsed_2lab 1
38 1 2 . . . . . . . . . 537 THR O parsed_2lab 1
39 1 1 . . . . . . . . . 613 SER N parsed_2lab 1
39 1 2 . . . . . . . . . 537 THR O parsed_2lab 1
40 1 1 . . . . . . . . . 614 THR HN parsed_2lab 1
40 1 2 . . . . . . . . . 627 ARG O parsed_2lab 1
41 1 1 . . . . . . . . . 614 THR N parsed_2lab 1
41 1 2 . . . . . . . . . 627 ARG O parsed_2lab 1
42 1 1 . . . . . . . . . 615 TYR HN parsed_2lab 1
42 1 2 . . . . . . . . . 539 TYR O parsed_2lab 1
43 1 1 . . . . . . . . . 615 TYR N parsed_2lab 1
43 1 2 . . . . . . . . . 539 TYR O parsed_2lab 1
44 1 1 . . . . . . . . . 627 ARG HN parsed_2lab 1
44 1 2 . . . . . . . . . 614 THR O parsed_2lab 1
45 1 1 . . . . . . . . . 627 ARG N parsed_2lab 1
45 1 2 . . . . . . . . . 614 THR O parsed_2lab 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 . . . . . . . 3.00 parsed_2lab 1
2 1 . . . . . . . 2.00 parsed_2lab 1
3 1 . . . . . . . 3.00 parsed_2lab 1
4 1 . . . . . . . 2.00 parsed_2lab 1
5 1 . . . . . . . 3.00 parsed_2lab 1
6 1 . . . . . . . 2.00 parsed_2lab 1
7 1 . . . . . . . 3.00 parsed_2lab 1
8 1 . . . . . . . 2.00 parsed_2lab 1
9 1 . . . . . . . 3.00 parsed_2lab 1
10 1 . . . . . . . 2.00 parsed_2lab 1
11 1 . . . . . . . 3.00 parsed_2lab 1
12 1 . . . . . . . 2.00 parsed_2lab 1
13 1 . . . . . . . 3.00 parsed_2lab 1
14 1 . . . . . . . 2.00 parsed_2lab 1
15 1 . . . . . . . 3.00 parsed_2lab 1
16 1 . . . . . . . 2.00 parsed_2lab 1
17 1 . . . . . . . 3.00 parsed_2lab 1
18 1 . . . . . . . 2.00 parsed_2lab 1
19 1 . . . . . . . 3.00 parsed_2lab 1
20 1 . . . . . . . 2.00 parsed_2lab 1
21 1 . . . . . . . 3.00 parsed_2lab 1
22 1 . . . . . . . 2.00 parsed_2lab 1
23 1 . . . . . . . 3.00 parsed_2lab 1
24 1 . . . . . . . 2.00 parsed_2lab 1
25 1 . . . . . . . 3.00 parsed_2lab 1
26 1 . . . . . . . 2.00 parsed_2lab 1
27 1 . . . . . . . 3.00 parsed_2lab 1
28 1 . . . . . . . 2.00 parsed_2lab 1
29 1 . . . . . . . 3.00 parsed_2lab 1
30 1 . . . . . . . 2.00 parsed_2lab 1
31 1 . . . . . . . 3.00 parsed_2lab 1
32 1 . . . . . . . 2.00 parsed_2lab 1
33 1 . . . . . . . 3.00 parsed_2lab 1
34 1 . . . . . . . 2.00 parsed_2lab 1
35 1 . . . . . . . 3.00 parsed_2lab 1
36 1 . . . . . . . 2.00 parsed_2lab 1
37 1 . . . . . . . 3.00 parsed_2lab 1
38 1 . . . . . . . 2.00 parsed_2lab 1
39 1 . . . . . . . 3.00 parsed_2lab 1
40 1 . . . . . . . 2.00 parsed_2lab 1
41 1 . . . . . . . 3.00 parsed_2lab 1
42 1 . . . . . . . 2.00 parsed_2lab 1
43 1 . . . . . . . 3.00 parsed_2lab 1
44 1 . . . . . . . 2.00 parsed_2lab 1
45 1 . . . . . . . 3.00 parsed_2lab 1
stop_
save_
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