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 subtype item_count
627138 5xek 36072 cing 2-parsed STAR entry full 24


data_5xek_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_5xek 
    _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_5xek   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_5xek 
    _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   5xek   "Master copy"    parsed_5xek   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_5xek 
    _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   5xek.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_5xek   1   
        1   5xek.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             24   parsed_5xek   1   
        1   5xek.mr   .   .   "MR format"    3   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_5xek   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_5xek 
    _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    METAL BINDING PROTEIN                   05-APR-17   5XEK              
*TITLE     C-TERMINAL ZINC FINGER OF RING FINGER PROTEIN 141                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RING FINGER PROTEIN 141;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 152-193;                                      
*COMPND   5 SYNONYM: ZINC FINGER PROTEIN 230;                                    
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    RING FINGER PROTEIN 141, ZINC FINGER, METAL BINDING PROTEIN           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.MIYAMOTO                                                            
*REVDAT   1   02-MAY-18 5XEK    0                                                
;

save_


save_DYANA/DIANA_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_5xek 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            2 
    _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_5xek   1   
         2   1   .   .   .   parsed_5xek   1   
         3   1   .   .   .   parsed_5xek   1   
         4   1   .   .   .   parsed_5xek   1   
         5   1   .   .   .   parsed_5xek   1   
         6   1   .   .   .   parsed_5xek   1   
         7   1   .   .   .   parsed_5xek   1   
         8   1   .   .   .   parsed_5xek   1   
         9   1   .   .   .   parsed_5xek   1   
        10   1   .   .   .   parsed_5xek   1   
        11   1   .   .   .   parsed_5xek   1   
        12   1   .   .   .   parsed_5xek   1   
        13   1   .   .   .   parsed_5xek   1   
        14   1   .   .   .   parsed_5xek   1   
        15   1   .   .   .   parsed_5xek   1   
        16   1   .   .   .   parsed_5xek   1   
        17   1   .   .   .   parsed_5xek   1   
        18   1   .   .   .   parsed_5xek   1   
        19   1   .   .   .   parsed_5xek   1   
        20   1   .   .   .   parsed_5xek   1   
        21   1   .   .   .   parsed_5xek   1   
        22   1   .   .   .   parsed_5xek   1   
        23   1   .   .   .   parsed_5xek   1   
        24   1   .   .   .   parsed_5xek   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   .   .   .   .   .   .   .   .   .    4   CYSS   HA     parsed_5xek   1   
         1   1   2   .   .   .   .   .   .   .   .   .    5   CYS    HN     parsed_5xek   1   
         2   1   1   .   .   .   .   .   .   .   .   .   15   ILE    HA     parsed_5xek   1   
         2   1   2   .   .   .   .   .   .   .   .   .   22   PHE    HN     parsed_5xek   1   
         3   1   1   .   .   .   .   .   .   .   .   .   26   CYSS   HA     parsed_5xek   1   
         3   1   2   .   .   .   .   .   .   .   .   .   29   LYS    HN     parsed_5xek   1   
         4   1   1   .   .   .   .   .   .   .   .   .   23   CYSS   HA     parsed_5xek   1   
         4   1   2   .   .   .   .   .   .   .   .   .   24   GLN    HN     parsed_5xek   1   
         5   1   1   .   .   .   .   .   .   .   .   .   25   LYS    HA     parsed_5xek   1   
         5   1   2   .   .   .   .   .   .   .   .   .   28   ASP    HN     parsed_5xek   1   
         6   1   1   .   .   .   .   .   .   .   .   .   15   ILE    HA     parsed_5xek   1   
         6   1   2   .   .   .   .   .   .   .   .   .   21   SER    HB2    parsed_5xek   1   
         7   1   1   .   .   .   .   .   .   .   .   .    6   ILE    HA     parsed_5xek   1   
         7   1   2   .   .   .   .   .   .   .   .   .    6   ILE    HG13   parsed_5xek   1   
         8   1   1   .   .   .   .   .   .   .   .   .    8   MET    HA     parsed_5xek   1   
         8   1   2   .   .   .   .   .   .   .   .   .    8   MET    HG2    parsed_5xek   1   
         9   1   1   .   .   .   .   .   .   .   .   .   33   ARG    HA     parsed_5xek   1   
         9   1   2   .   .   .   .   .   .   .   .   .   33   ARG    HG2    parsed_5xek   1   
        10   1   1   .   .   .   .   .   .   .   .   .    2   GLU    HA     parsed_5xek   1   
        10   1   2   .   .   .   .   .   .   .   .   .    3   GLU    HN     parsed_5xek   1   
        11   1   1   .   .   .   .   .   .   .   .   .   25   LYS    HA     parsed_5xek   1   
        11   1   2   .   .   .   .   .   .   .   .   .   25   LYS    QD     parsed_5xek   1   
        12   1   1   .   .   .   .   .   .   .   .   .   15   ILE    HA     parsed_5xek   1   
        12   1   2   .   .   .   .   .   .   .   .   .   15   ILE    HG12   parsed_5xek   1   
        13   1   1   .   .   .   .   .   .   .   .   .    3   GLU    HA     parsed_5xek   1   
        13   1   2   .   .   .   .   .   .   .   .   .   11   ARG    HA     parsed_5xek   1   
        14   1   1   .   .   .   .   .   .   .   .   .   12   ALA    HA     parsed_5xek   1   
        14   1   2   .   .   .   .   .   .   .   .   .   23   CYSS   HA     parsed_5xek   1   
        15   1   1   .   .   .   .   .   .   .   .   .   11   ARG    HA     parsed_5xek   1   
        15   1   2   .   .   .   .   .   .   .   .   .   12   ALA    QB     parsed_5xek   1   
        16   1   1   .   .   .   .   .   .   .   .   .   24   GLN    HA     parsed_5xek   1   
        16   1   2   .   .   .   .   .   .   .   .   .   27   ILE    HN     parsed_5xek   1   
        17   1   1   .   .   .   .   .   .   .   .   .   17   PRO    HA     parsed_5xek   1   
        17   1   2   .   .   .   .   .   .   .   .   .   19   ALA    HN     parsed_5xek   1   
        18   1   1   .   .   .   .   .   .   .   .   .    8   MET    HA     parsed_5xek   1   
        18   1   2   .   .   .   .   .   .   .   .   .    8   MET    HG3    parsed_5xek   1   
        19   1   1   .   .   .   .   .   .   .   .   .    1   GLU    HA     parsed_5xek   1   
        19   1   2   .   .   .   .   .   .   .   .   .    1   GLU    QG     parsed_5xek   1   
        20   1   1   .   .   .   .   .   .   .   .   .   20   HIST   HA     parsed_5xek   1   
        20   1   2   .   .   .   .   .   .   .   .   .   21   SER    HN     parsed_5xek   1   
        21   1   1   .   .   .   .   .   .   .   .   .   24   GLN    HA     parsed_5xek   1   
        21   1   2   .   .   .   .   .   .   .   .   .   24   GLN    HE22   parsed_5xek   1   
        22   1   1   .   .   .   .   .   .   .   .   .   15   ILE    HA     parsed_5xek   1   
        22   1   2   .   .   .   .   .   .   .   .   .   16   LEU    HN     parsed_5xek   1   
        23   1   1   .   .   .   .   .   .   .   .   .   26   CYSS   HA     parsed_5xek   1   
        23   1   2   .   .   .   .   .   .   .   .   .   30   TRP    HN     parsed_5xek   1   
        24   1   1   .   .   .   .   .   .   .   .   .   11   ARG    HA     parsed_5xek   1   
        24   1   2   .   .   .   .   .   .   .   .   .   11   ARG    QD     parsed_5xek   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   .   .   .   .   .   .   .   3.66   parsed_5xek   1   
         2   1   .   .   .   .   .   .   .   4.84   parsed_5xek   1   
         3   1   .   .   .   .   .   .   .   3.45   parsed_5xek   1   
         4   1   .   .   .   .   .   .   .   3.84   parsed_5xek   1   
         5   1   .   .   .   .   .   .   .   4.82   parsed_5xek   1   
         6   1   .   .   .   .   .   .   .   4.27   parsed_5xek   1   
         7   1   .   .   .   .   .   .   .   3.72   parsed_5xek   1   
         8   1   .   .   .   .   .   .   .   3.78   parsed_5xek   1   
         9   1   .   .   .   .   .   .   .   4.72   parsed_5xek   1   
        10   1   .   .   .   .   .   .   .   2.87   parsed_5xek   1   
        11   1   .   .   .   .   .   .   .   4.72   parsed_5xek   1   
        12   1   .   .   .   .   .   .   .   4.11   parsed_5xek   1   
        13   1   .   .   .   .   .   .   .   3.23   parsed_5xek   1   
        14   1   .   .   .   .   .   .   .   3.64   parsed_5xek   1   
        15   1   .   .   .   .   .   .   .   4.23   parsed_5xek   1   
        16   1   .   .   .   .   .   .   .   4.78   parsed_5xek   1   
        17   1   .   .   .   .   .   .   .   4.81   parsed_5xek   1   
        18   1   .   .   .   .   .   .   .   4.73   parsed_5xek   1   
        19   1   .   .   .   .   .   .   .   3.21   parsed_5xek   1   
        20   1   .   .   .   .   .   .   .   2.14   parsed_5xek   1   
        21   1   .   .   .   .   .   .   .   4.81   parsed_5xek   1   
        22   1   .   .   .   .   .   .   .   2.34   parsed_5xek   1   
        23   1   .   .   .   .   .   .   .   4.89   parsed_5xek   1   
        24   1   .   .   .   .   .   .   .   3.41   parsed_5xek   1   
    stop_


    loop_
        _Dist_constraint_comment_org.ID 
        _Dist_constraint_comment_org.Comment_text 
        _Dist_constraint_comment_org.Comment_begin_line 
        _Dist_constraint_comment_org.Comment_begin_column 
        _Dist_constraint_comment_org.Comment_end_line 
        _Dist_constraint_comment_org.Comment_end_column 
        _Dist_constraint_comment_org.Entry_ID 
        _Dist_constraint_comment_org.Distance_constraint_list_ID 

        1   "Restraints file 1: data_protein141_de.upl"    1   1   1   43   parsed_5xek   1   
    stop_

save_





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