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 item_count
47110 2g57 7001 cing 2-parsed STAR dihedral angle 23


data_2g57_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2g57 
    _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_2g57   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2g57 
    _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   2g57   "Master copy"    parsed_2g57   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2g57 
    _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   2g57.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2g57   1   
        1   2g57.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             403   parsed_2g57   1   
        1   2g57.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     23   parsed_2g57   1   
        1   2g57.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2g57   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2g57 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   18   .   c   .   19   .   n   .   19   .   ca   .   19   .   c   parsed_2g57   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   19   .   c   .   20   .   n   .   20   .   ca   .   20   .   c   parsed_2g57   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   20   .   c   .   21   .   n   .   21   .   ca   .   21   .   c   parsed_2g57   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   21   .   c   .   22   .   n   .   22   .   ca   .   22   .   c   parsed_2g57   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   22   .   c   .   23   .   n   .   23   .   ca   .   23   .   c   parsed_2g57   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   23   .   c   .   24   .   n   .   24   .   ca   .   24   .   c   parsed_2g57   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   24   .   c   .   25   .   n   .   25   .   ca   .   25   .   c   parsed_2g57   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   25   .   c   .   26   .   n   .   26   .   ca   .   26   .   c   parsed_2g57   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   26   .   c   .   27   .   n   .   27   .   ca   .   27   .   c   parsed_2g57   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   27   .   c   .   28   .   n   .   28   .   ca   .   28   .   c   parsed_2g57   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   28   .   c   .   29   .   n   .   29   .   ca   .   29   .   c   parsed_2g57   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   29   .   c   .   30   .   n   .   30   .   ca   .   30   .   c   parsed_2g57   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   30   .   c   .   31   .   n   .   31   .   ca   .   31   .   c   parsed_2g57   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   31   .   c   .   32   .   n   .   32   .   ca   .   32   .   c   parsed_2g57   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   32   .   c   .   33   .   n   .   33   .   ca   .   33   .   c   parsed_2g57   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   34   .   c   .   35   .   n   .   35   .   ca   .   35   .   c   parsed_2g57   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   35   .   c   .   36   .   n   .   36   .   ca   .   36   .   c   parsed_2g57   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   36   .   c   .   37   .   n   .   37   .   ca   .   37   .   c   parsed_2g57   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   38   .   c   .   39   .   n   .   39   .   ca   .   39   .   c   parsed_2g57   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   39   .   c   .   40   .   n   .   40   .   ca   .   40   .   c   parsed_2g57   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   40   .   c   .   41   .   n   .   41   .   ca   .   41   .   c   parsed_2g57   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   41   .   c   .   42   .   n   .   42   .   ca   .   42   .   c   parsed_2g57   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180   -20   .   .   42   .   c   .   43   .   n   .   43   .   ca   .   43   .   c   parsed_2g57   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   
;
remark phi angle coupling constants
!    K19
;
    1    1    3   12   parsed_2g57   1   
         2   
;
!
!    A20
;
    5   72    6   12   parsed_2g57   1   
         3   
;
!
!    A21
;
    8   72    9   12   parsed_2g57   1   
         4   
;
!
!    V22
;
   11   72   12   12   parsed_2g57   1   
         5   
;
!
!    S23
;
   14   72   15   12   parsed_2g57   1   
         6   
;
!
!    H24
;
   17   72   18   12   parsed_2g57   1   
         7   
;
!
!    W25
;
   20   72   21   12   parsed_2g57   1   
         8   
;
!
!    Q26
;
   23   72   24   12   parsed_2g57   1   
         9   
;
!
!    Q27
;
   26   72   27   12   parsed_2g57   1   
        10   
;
!
!    Q28
;
   29   72   30   12   parsed_2g57   1   
        11   
;
!
!    S29
;
   32   72   33   12   parsed_2g57   1   
        12   
;
!
!    Y30
;
   35   72   36   12   parsed_2g57   1   
        13   
;
!
!    L31
;
   38   72   39   12   parsed_2g57   1   
        14   
;
!
!    D32
;
   41   72   42   12   parsed_2g57   1   
        15   
;
!
!    SEP33
;
   44   72   45   14   parsed_2g57   1   
        16   
;
!
!    I35
;
   47   72   48   12   parsed_2g57   1   
        17   
;
!
!    H36
;
   50   72   51   12   parsed_2g57   1   
        18   
;
!
!    SEP37
;
   53   72   54   14   parsed_2g57   1   
        19   
;
!
!    A39
;
   56   72   57   12   parsed_2g57   1   
        20   
;
!
!    T40
;
   59   72   60   12   parsed_2g57   1   
        21   
;
!
!    T41
;
   62   72   63   12   parsed_2g57   1   
        22   
;
!
!    T42
;
   65   72   66   12   parsed_2g57   1   
        23   
;
!
!    A43
;
   68   72   69   12   parsed_2g57   1   
        24    !   71   72   71   74   parsed_2g57   1   
    stop_

save_





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