NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type
626209 5v7z 30273 cing 2-parsed STAR dihedral angle


data_5v7z_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_5v7z 
    _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_5v7z   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_5v7z 
    _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   5v7z   "Master copy"    parsed_5v7z   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_5v7z 
    _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   5v7z.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"    0   parsed_5v7z   1   
        1   5v7z.mr   .   .    DYANA/DIANA   2    distance                 "general distance"     simple             0   parsed_5v7z   1   
        1   5v7z.mr   .   .    DYANA/DIANA   3   "dihedral angle"          "Not applicable"      "Not applicable"    0   parsed_5v7z   1   
        1   5v7z.mr   .   .    DYANA/DIANA   4    distance                 "hydrogen bond"        simple             0   parsed_5v7z   1   
        1   5v7z.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"      "Not applicable"    0   parsed_5v7z   1   
    stop_

save_


save_DYANA/DIANA_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_5v7z 
    _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_
        _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 2: rip_aco.aco"    1   1   1   32   parsed_5v7z   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   
;
A452 ILE   PHI    -175.4   -65.0
 A452 ILE   PSI     109.3   176.9
 A455 CYS   PHI    -181.7  -107.9
 A455 CYS   PSI     111.6   179.8
 A456 SER   PHI    -143.9   -35.0
 A456 SER   PSI     104.2   164.2
 A458 VAL   PHI    -146.5  -104.1
 A458 VAL   PSI     117.7   162.3
 A459 GLN   PHI    -132.9  -108.8
 A459 GLN   PSI     108.5   164.9
 A460 VAL   PHI    -128.2   -86.8
 A460 VAL   PSI      97.7   141.9
 B533 ILE   PHI    -160.0   -97.7
 B533 ILE   PSI     112.6   180.4
 B537 THR   PHI    -164.3   -65.2
 B537 THR   PSI     110.8   157.5
 B539 ILE   PHI    -153.3  -103.8
 B539 ILE   PSI     120.7   149.7
 B540 GLN   PHI    -136.4  -104.0
 B540 GLN   PSI     110.2   162.6
 B541 ILE   PHI    -135.2   -88.9
 B541 ILE   PSI     103.3   140.5
 B543 ALA   PHI    -163.6   -68.0
 B543 ALA   PSI     133.0   192.7
 B546 TYR   PHI    -158.8   -95.5
 B546 TYR   PSI      92.1   148.7
 B547 MET   PHI    -134.6  -107.5
 B547 MET   PSI     104.3   161.6
#
 C452 ILE   PHI    -175.4   -65.0
 C452 ILE   PSI     109.3   176.9
 C455 CYS   PHI    -181.7  -107.9
 C455 CYS   PSI     111.6   179.8
 C456 SER   PHI    -143.9   -35.0
 C456 SER   PSI     104.2   164.2
 C458 VAL   PHI    -146.5  -104.1
 C458 VAL   PSI     117.7   162.3
 C459 GLN   PHI    -132.9  -108.8
 C459 GLN   PSI     108.5   164.9
 C460 VAL   PHI    -128.2   -86.8
 C460 VAL   PSI      97.7   141.9
 D533 ILE   PHI    -160.0   -97.7
 D533 ILE   PSI     112.6   180.4
 D537 THR   PHI    -164.3   -65.2
 D537 THR   PSI     110.8   157.5
 D539 ILE   PHI    -153.3  -103.8
 D539 ILE   PSI     120.7   149.7
 D540 GLN   PHI    -136.4  -104.0
 D540 GLN   PSI     110.2   162.6
 D541 ILE   PHI    -135.2   -88.9
 D541 ILE   PSI     103.3   140.5
 D543 ALA   PHI    -163.6   -68.0
 D543 ALA   PSI     133.0   192.7
 D546 TYR   PHI    -158.8   -95.5
 D546 TYR   PSI      92.1   148.7
 D547 MET   PHI    -134.6  -107.5
 D547 MET   PSI     104.3   161.6
#
 E452 ILE   PHI    -175.4   -65.0
 E452 ILE   PSI     109.3   176.9
 E455 CYS   PHI    -181.7  -107.9
 E455 CYS   PSI     111.6   179.8
 E456 SER   PHI    -143.9   -35.0
 E456 SER   PSI     104.2   164.2
 E458 VAL   PHI    -146.5  -104.1
 E458 VAL   PSI     117.7   162.3
 E459 GLN   PHI    -132.9  -108.8
 E459 GLN   PSI     108.5   164.9
 E460 VAL   PHI    -128.2   -86.8
 E460 VAL   PSI      97.7   141.9
 F533 ILE   PHI    -160.0   -97.7
 F533 ILE   PSI     112.6   180.4
 F537 THR   PHI    -164.3   -65.2
 F537 THR   PSI     110.8   157.5
 F539 ILE   PHI    -153.3  -103.8
 F539 ILE   PSI     120.7   149.7
 F540 GLN   PHI    -136.4  -104.0
 F540 GLN   PSI     110.2   162.6
 F541 ILE   PHI    -135.2   -88.9
 F541 ILE   PSI     103.3   140.5
 F543 ALA   PHI    -163.6   -68.0
 F543 ALA   PSI     133.0   192.7
 F546 TYR   PHI    -158.8   -95.5
 F546 TYR   PSI      92.1   148.7
 F547 MET   PHI    -134.6  -107.5
 F547 MET   PSI     104.3   161.6
#
 G452 ILE   PHI    -175.4   -65.0
 G452 ILE   PSI     109.3   176.9
 G455 CYS   PHI    -181.7  -107.9
 G455 CYS   PSI     111.6   179.8
 G456 SER   PHI    -143.9   -35.0
 G456 SER   PSI     104.2   164.2
 G458 VAL   PHI    -146.5  -104.1
 G458 VAL   PSI     117.7   162.3
 G459 GLN   PHI    -132.9  -108.8
 G459 GLN   PSI     108.5   164.9
 G460 VAL   PHI    -128.2   -86.8
 G460 VAL   PSI      97.7   141.9
 H533 ILE   PHI    -160.0   -97.7
 H533 ILE   PSI     112.6   180.4
 H537 THR   PHI    -164.3   -65.2
 H537 THR   PSI     110.8   157.5
 H539 ILE   PHI    -153.3  -103.8
 H539 ILE   PSI     120.7   149.7
 H540 GLN   PHI    -136.4  -104.0
 H540 GLN   PSI     110.2   162.6
 H541 ILE   PHI    -135.2   -88.9
 H541 ILE   PSI     103.3   140.5
 H543 ALA   PHI    -163.6   -68.0
 H543 ALA   PSI     133.0   192.7
 H546 TYR   PHI    -158.8   -95.5
 H546 TYR   PSI      92.1   148.7
 H547 MET   PHI    -134.6  -107.5
 H547 MET   PSI     104.3   161.6
;
   2   2   116   34   parsed_5v7z   1   
    stop_

save_





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