BMRB

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
43415 2ari RC 6867 cing 2-parsed STAR dihedral angle


data_2ari_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2ari 
    _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_2ari   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2ari 
    _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   2ari   "Master copy"    parsed_2ari   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2ari 
    _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   2ari.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"    0   parsed_2ari   1   
        1   2ari.mr   .   .    n/a            2    comment                  "Not applicable"    "Not applicable"    0   parsed_2ari   1   
        1   2ari.mr   .   .    XPLOR/CNS      3   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_2ari   1   
        1   2ari.mr   .   .    n/a            4    comment                  "Not applicable"    "Not applicable"    0   parsed_2ari   1   
        1   2ari.mr   .   .    XPLOR/CNS      5    distance                  NOE                 simple             0   parsed_2ari   1   
        1   2ari.mr   .   .    n/a            6    comment                  "Not applicable"    "Not applicable"    0   parsed_2ari   1   
        1   2ari.mr   .   .    XPLOR/CNS      7   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_2ari   1   
        1   2ari.mr   .   .    n/a            8    comment                  "Not applicable"    "Not applicable"    0   parsed_2ari   1   
        1   2ari.mr   .   .    XPLOR/CNS      9   "dipolar coupling"        "Not applicable"    "Not applicable"    0   parsed_2ari   1   
        1   2ari.mr   .   .    n/a           10    comment                  "Not applicable"    "Not applicable"    0   parsed_2ari   1   
        1   2ari.mr   .   .    XPLOR/CNS     11   "coupling constant"       "Not applicable"    "Not applicable"    0   parsed_2ari   1   
        1   2ari.mr   .   .    XPLOR/CNS     12   "dipolar coupling"        "Not applicable"    "Not applicable"    0   parsed_2ari   1   
        1   2ari.mr   .   .   "MR format"    13   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_2ari   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2ari 
    _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_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   
;
assign (resid  2 and name c ) (resid  3 and name n )
       (resid  3 and name ca) (resid  3 and name c )      7.5 0.7
! 5I
;
    4   1    6   4   parsed_2ari   1   
         2   
;
assign (resid  4 and name c ) (resid  5 and name n )
       (resid  5 and name ca) (resid  5 and name c )      4.3 0.7

! 7A
;
    7   1   10   4   parsed_2ari   1   
         3   
;
assign (resid  6 and name c ) (resid  7 and name n )
       (resid  7 and name ca) (resid  7 and name c )      4.1 0.7

! 8L
;
   11   1   14   4   parsed_2ari   1   
         4   
;
assign (resid  7 and name c ) (resid  8 and name n )
       (resid  8 and name ca) (resid  8 and name c )      5.3 0.7

! 9F
;
   15   1   18   4   parsed_2ari   1   
         5   
;
assign (resid  8 and name c ) (resid  9 and name n )
       (resid  9 and name ca) (resid  9 and name c )      4.7 0.7

! 10L
;
   19   1   22   5   parsed_2ari   1   
         6   
;
assign (resid  9 and name c ) (resid 10 and name n )
       (resid 10 and name ca) (resid 10 and name c )      4.1 0.7

! 12F
;
   23   1   26   5   parsed_2ari   1   
         7   
;
assign (resid 11 and name c ) (resid 12 and name n )
       (resid 12 and name ca) (resid 12 and name c )      5.3 0.7

! 13L
;
   27   1   30   5   parsed_2ari   1   
         8   
;
assign (resid 12 and name c ) (resid 13 and name n )
       (resid 13 and name ca) (resid 13 and name c )      4.6 0.7

! 15A
;
   31   1   34   5   parsed_2ari   1   
         9   
;
assign (resid 14 and name c ) (resid 15 and name n )
       (resid 15 and name ca) (resid 15 and name c )      5.9 0.7

! 16A
;
   35   1   38   5   parsed_2ari   1   
        10   
;
assign (resid 15 and name c ) (resid 16 and name n )
       (resid 16 and name ca) (resid 16 and name c )      4.9 0.7

! 18S
;
   39   1   42   5   parsed_2ari   1   
        11   
;
assign (resid 17 and name c ) (resid 18 and name n )
       (resid 18 and name ca) (resid 18 and name c )      5.9 0.7

! 19T
;
   43   1   46   5   parsed_2ari   1   
        12   
;
assign (resid 18 and name c ) (resid 19 and name n )
       (resid 19 and name ca) (resid 19 and name c )      7.1 0.7

! 20M
;
   47   1   50   5   parsed_2ari   1   
        13   
;
assign (resid 19 and name c ) (resid 20 and name n )
       (resid 20 and name ca) (resid 20 and name c )      6.4 0.7

! 22A
;
   51   1   54   5   parsed_2ari   1   
        14   
;
assign (resid 21 and name c ) (resid 22 and name n )
       (resid 22 and name ca) (resid 22 and name c )      5.8 0.7

! 23A
;
   55   1   58   5   parsed_2ari   1   
        15   
;
assign (resid 22 and name c ) (resid 23 and name n )
       (resid 23 and name ca) (resid 23 and name c )      5.7 0.7
! 24S
;
   59   1   61   5   parsed_2ari   1   
        16   
;
assign (resid 23 and name c ) (resid 24 and name n )
       (resid 24 and name ca) (resid 24 and name c )      7.0 0.7

! 25M
;
   62   1   65   5   parsed_2ari   1   
    stop_

save_