NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage program type item_count
34547 1k1c 4972 cing recoord 2-parsed STAR dihedral angle 51


data_1k1c_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1k1c 
    _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_1k1c   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1k1c 
    _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   1k1c   "Master copy"    parsed_1k1c   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1k1c 
    _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   1k1c.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1k1c   1   
        1   1k1c.mr   .   .    DISCOVER      2    stereochemistry           chirality          "Not applicable"       0   parsed_1k1c   1   
        1   1k1c.mr   .   .    DISCOVER      3    distance                  NOE                 simple             1146   parsed_1k1c   1   
        1   1k1c.mr   .   .    DISCOVER      4    distance                  NOE                 ambi                327   parsed_1k1c   1   
        1   1k1c.mr   .   .    DISCOVER      5   "dihedral angle"          "Not applicable"    "Not applicable"      51   parsed_1k1c   1   
        1   1k1c.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1k1c   1   
    stop_

save_


save_Discover_dihedral_5
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1k1c 
    _Torsion_angle_constraint_list.ID                  1 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   200   236   .   1    4   GLN   C   1    4   GLN   CA   1    4   GLN   N   1    3   GLN   C   parsed_1k1c   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   190   210   .   1    5   LYX   C   1    5   LYX   CA   1    5   LYX   N   1    4   GLN   C   parsed_1k1c   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   260   310   .   1    7   GLX   C   1    7   GLX   CA   1    7   GLX   N   1    6   VAL   C   parsed_1k1c   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   200   260   .   1    8   VAL   C   1    8   VAL   CA   1    8   VAL   N   1    7   GLX   C   parsed_1k1c   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   265   285   .   1   11   LYX   C   1   11   LYX   CA   1   11   LYX   N   1   10   LEU   C   parsed_1k1c   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   280   305   .   1   19   ALA   C   1   19   ALA   CA   1   19   ALA   N   1   18   PRO   C   parsed_1k1c   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   290   320   .   1   20   ALA   C   1   20   ALA   CA   1   20   ALA   N   1   19   ALA   C   parsed_1k1c   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   290   315   .   1   24   GLN   C   1   24   GLN   CA   1   24   GLN   N   1   23   VAL   C   parsed_1k1c   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   285   305   .   1   25   GLX   C   1   25   GLX   CA   1   25   GLX   N   1   24   GLN   C   parsed_1k1c   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   300   320   .   1   26   ALA   C   1   26   ALA   CA   1   26   ALA   N   1   25   GLX   C   parsed_1k1c   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   295   310   .   1   27   ASN   C   1   27   ASN   CA   1   27   ASN   N   1   26   ALA   C   parsed_1k1c   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   270   310   .   1   28   ARX   C   1   28   ARX   CA   1   28   ARX   N   1   27   ASN   C   parsed_1k1c   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   200   280   .   1   30   THR   C   1   30   THR   CA   1   30   THR   N   1   29   PHE   C   parsed_1k1c   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   200   280   .   1   34   PHE   C   1   34   PHE   CA   1   34   PHE   N   1   33   VAL   C   parsed_1k1c   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   200   230   .   1   35   LEU   C   1   35   LEU   CA   1   35   LEU   N   1   34   PHE   C   parsed_1k1c   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   200   280   .   1   36   GLX   C   1   36   GLX   CA   1   36   GLX   N   1   35   LEU   C   parsed_1k1c   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   200   280   .   1   41   LYX   C   1   41   LYX   CA   1   41   LYX   N   1   40   LYX   C   parsed_1k1c   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   200   280   .   1   42   VAL   C   1   42   VAL   CA   1   42   VAL   N   1   41   LYX   C   parsed_1k1c   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   200   230   .   1   42   VAL   C   1   42   VAL   CA   1   42   VAL   N   1   41   LYX   C   parsed_1k1c   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   270   310   .   1   44   ALA   C   1   44   ALA   CA   1   44   ALA   N   1   43   ASN   C   parsed_1k1c   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   260   290   .   1   46   SER   C   1   46   SER   CA   1   46   SER   N   1   45   LYX   C   parsed_1k1c   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   290   330   .   1   50   LEU   C   1   50   LEU   CA   1   50   LEU   N   1   49   GLY   C   parsed_1k1c   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   285   325   .   1   51   MET   C   1   51   MET   CA   1   51   MET   N   1   50   LEU   C   parsed_1k1c   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   280   320   .   1   52   SER   C   1   52   SER   CA   1   52   SER   N   1   51   MET   C   parsed_1k1c   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   280   320   .   1   53   LEU   C   1   53   LEU   CA   1   53   LEU   N   1   52   SER   C   parsed_1k1c   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   255   295   .   1   60   GLX   C   1   60   GLX   CA   1   60   GLX   N   1   59   THR   C   parsed_1k1c   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   250   290   .   1   64   ILE   C   1   64   ILE   CA   1   64   ILE   N   1   63   LEU   C   parsed_1k1c   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   290   330   .   1   68   GLX   C   1   68   GLX   CA   1   68   GLX   N   1   67   GLY   C   parsed_1k1c   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   250   290   .   1   69   ASX   C   1   69   ASX   CA   1   69   ASX   N   1   68   GLX   C   parsed_1k1c   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   290   320   .   1   70   GLX   C   1   70   GLX   CA   1   70   GLX   N   1   69   ASX   C   parsed_1k1c   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   280   320   .   1   71   GLN   C   1   71   GLN   CA   1   71   GLN   N   1   70   GLX   C   parsed_1k1c   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   280   320   .   1   72   GLX   C   1   72   GLX   CA   1   72   GLX   N   1   71   GLN   C   parsed_1k1c   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   280   320   .   1   74   LEU   C   1   74   LEU   CA   1   74   LEU   N   1   73   ALA   C   parsed_1k1c   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   280   320   .   1   75   GLX   C   1   75   GLX   CA   1   75   GLX   N   1   74   LEU   C   parsed_1k1c   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   280   320   .   1   76   LYX   C   1   76   LYX   CA   1   76   LYX   N   1   75   GLX   C   parsed_1k1c   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   280   320   .   1   77   LEU   C   1   77   LEU   CA   1   77   LEU   N   1   76   LYX   C   parsed_1k1c   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   280   320   .   1   78   ALA   C   1   78   ALA   CA   1   78   ALA   N   1   77   LEU   C   parsed_1k1c   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   280   320   .   1   79   ALA   C   1   79   ALA   CA   1   79   ALA   N   1   78   ALA   C   parsed_1k1c   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   280   320   .   1   80   TYR   C   1   80   TYR   CA   1   80   TYR   N   1   79   ALA   C   parsed_1k1c   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   280   320   .   1   81   VAX   C   1   81   VAX   CA   1   81   VAX   N   1   80   TYR   C   parsed_1k1c   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    45   100   .   1   14   LEU   C   1   14   LEU   CA   1   14   LEU   N   1   13   GLY   C   parsed_1k1c   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    45   100   .   1   38   ASX   C   1   38   ASX   CA   1   38   ASX   N   1   37   LYX   C   parsed_1k1c   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180   360   .   1   10   LEU   C   1   10   LEU   CA   1   10   LEU   N   1    9   ARX   C   parsed_1k1c   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180   360   .   1   15   GLN   C   1   15   GLN   CA   1   15   GLN   N   1   14   LEU   C   parsed_1k1c   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180   360   .   1   33   VAL   C   1   33   VAL   CA   1   33   VAL   N   1   32   ASX   C   parsed_1k1c   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180   360   .   1   47   ILE   C   1   47   ILE   CA   1   47   ILE   N   1   46   SER   C   parsed_1k1c   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180   360   .   1   48   MET   C   1   48   MET   CA   1   48   MET   N   1   47   ILE   C   parsed_1k1c   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180   360   .   1   54   ALA   C   1   54   ALA   CA   1   54   ALA   N   1   53   LEU   C   parsed_1k1c   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180   360   .   1   57   THR   C   1   57   THR   CA   1   57   THR   N   1   56   SER   C   parsed_1k1c   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180   360   .   1   85   VAX   C   1   85   VAX   CA   1   85   VAX   N   1   84   GLX   C   parsed_1k1c   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180   360   .   1   86   LEU   C   1   86   LEU   CA   1   86   LEU   N   1   85   VAX   C   parsed_1k1c   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   NMR_dihedral   1   1   1   13   parsed_1k1c   1   
    stop_

save_





Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Friday, May 3, 2024 7:05:09 AM GMT (wattos1)