NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype subsubtype item_count
39956 1u6p cing 2-parsed STAR distance general distance simple 12


data_1u6p_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1u6p 
    _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_1u6p   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1u6p 
    _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   1u6p   "Master copy"    parsed_1u6p   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1u6p 
    _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   1u6p.mr   .   .   "MR format"     1    comment                  "Not applicable"      "Not applicable"     0   parsed_1u6p   1   
        1   1u6p.mr   .   .    n/a            2    comment                  "Not applicable"      "Not applicable"     0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA    3    sequence                 "Not applicable"      "Not applicable"     0   parsed_1u6p   1   
        1   1u6p.mr   .   .    n/a            4    comment                  "Not applicable"      "Not applicable"     0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA    5    distance                 "general distance"     simple             12   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA    6    distance                 "hydrogen bond"        simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA    7    distance                  NOE                   simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA    8    distance                 "general distance"     simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA    9    distance                 "hydrogen bond"        simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   10    distance                  NOE                   simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   11    distance                 "general distance"     simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   12    distance                 "hydrogen bond"        simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   13    distance                  NOE                   simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   14    distance                 "general distance"     simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   15    distance                 "hydrogen bond"        simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   16    distance                  NOE                   simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   17    distance                 "general distance"     simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   18    distance                 "hydrogen bond"        simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   19    distance                  NOE                   simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   20    distance                 "general distance"     simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    n/a           21    comment                  "Not applicable"      "Not applicable"     0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   22    distance                 "general distance"     simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   23    distance                 "hydrogen bond"        simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   24    distance                 "general distance"     simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   25    distance                 "hydrogen bond"        simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   26    distance                 "general distance"     simple              0   parsed_1u6p   1   
        1   1u6p.mr   .   .    n/a           27    comment                  "Not applicable"      "Not applicable"     0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   28   "dihedral angle"          "Not applicable"      "Not applicable"     0   parsed_1u6p   1   
        1   1u6p.mr   .   .    n/a           29    comment                  "Not applicable"      "Not applicable"     0   parsed_1u6p   1   
        1   1u6p.mr   .   .    DYANA/DIANA   30   "dipolar coupling"        "Not applicable"      "Not applicable"     0   parsed_1u6p   1   
        1   1u6p.mr   .   .   "MR format"    31   "nomenclature mapping"    "Not applicable"      "Not applicable"     0   parsed_1u6p   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_5
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1u6p 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            5 
    _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_1u6p   1   
         2   1   .   .   .   parsed_1u6p   1   
         3   1   .   .   .   parsed_1u6p   1   
         4   1   .   .   .   parsed_1u6p   1   
         5   1   .   .   .   parsed_1u6p   1   
         6   1   .   .   .   parsed_1u6p   1   
         7   1   .   .   .   parsed_1u6p   1   
         8   1   .   .   .   parsed_1u6p   1   
         9   1   .   .   .   parsed_1u6p   1   
        10   1   .   .   .   parsed_1u6p   1   
        11   1   .   .   .   parsed_1u6p   1   
        12   1   .   .   .   parsed_1u6p   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   .   .   .   .   .   .   .   .   .   39   CYSZ   ZN    parsed_1u6p   1   
         1   1   2   .   .   .   .   .   .   .   .   .   26   CYS-   CB    parsed_1u6p   1   
         2   1   1   .   .   .   .   .   .   .   .   .   39   CYSZ   ZN    parsed_1u6p   1   
         2   1   2   .   .   .   .   .   .   .   .   .   29   CYS-   CB    parsed_1u6p   1   
         3   1   1   .   .   .   .   .   .   .   .   .   39   CYSZ   ZN    parsed_1u6p   1   
         3   1   2   .   .   .   .   .   .   .   .   .   26   CYS-   SG    parsed_1u6p   1   
         4   1   1   .   .   .   .   .   .   .   .   .   39   CYSZ   ZN    parsed_1u6p   1   
         4   1   2   .   .   .   .   .   .   .   .   .   29   CYS-   SG    parsed_1u6p   1   
         5   1   1   .   .   .   .   .   .   .   .   .   39   CYSZ   ZN    parsed_1u6p   1   
         5   1   2   .   .   .   .   .   .   .   .   .   39   CYSZ   SG    parsed_1u6p   1   
         6   1   1   .   .   .   .   .   .   .   .   .   39   CYSZ   ZN    parsed_1u6p   1   
         6   1   2   .   .   .   .   .   .   .   .   .   34   HIS    NE2   parsed_1u6p   1   
         7   1   1   .   .   .   .   .   .   .   .   .   39   CYSZ   SG    parsed_1u6p   1   
         7   1   2   .   .   .   .   .   .   .   .   .   26   CYS-   SG    parsed_1u6p   1   
         8   1   1   .   .   .   .   .   .   .   .   .   39   CYSZ   SG    parsed_1u6p   1   
         8   1   2   .   .   .   .   .   .   .   .   .   29   CYS-   SG    parsed_1u6p   1   
         9   1   1   .   .   .   .   .   .   .   .   .   26   CYS-   SG    parsed_1u6p   1   
         9   1   2   .   .   .   .   .   .   .   .   .   29   CYS-   SG    parsed_1u6p   1   
        10   1   1   .   .   .   .   .   .   .   .   .   39   CYSZ   SG    parsed_1u6p   1   
        10   1   2   .   .   .   .   .   .   .   .   .   34   HIS    NE2   parsed_1u6p   1   
        11   1   1   .   .   .   .   .   .   .   .   .   26   CYS-   SG    parsed_1u6p   1   
        11   1   2   .   .   .   .   .   .   .   .   .   34   HIS    NE2   parsed_1u6p   1   
        12   1   1   .   .   .   .   .   .   .   .   .   29   CYS-   SG    parsed_1u6p   1   
        12   1   2   .   .   .   .   .   .   .   .   .   34   HIS    NE2   parsed_1u6p   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   .   .   .   .   .   .   .   3.5    parsed_1u6p   1   
         2   1   .   .   .   .   .   .   .   3.5    parsed_1u6p   1   
         3   1   .   .   .   .   .   .   .   2.30   parsed_1u6p   1   
         4   1   .   .   .   .   .   .   .   2.30   parsed_1u6p   1   
         5   1   .   .   .   .   .   .   .   2.30   parsed_1u6p   1   
         6   1   .   .   .   .   .   .   .   1.95   parsed_1u6p   1   
         7   1   .   .   .   .   .   .   .   3.85   parsed_1u6p   1   
         8   1   .   .   .   .   .   .   .   3.85   parsed_1u6p   1   
         9   1   .   .   .   .   .   .   .   3.85   parsed_1u6p   1   
        10   1   .   .   .   .   .   .   .   3.85   parsed_1u6p   1   
        11   1   .   .   .   .   .   .   .   3.85   parsed_1u6p   1   
        12   1   .   .   .   .   .   .   .   3.85   parsed_1u6p   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   "#############################################################"       1   1    1   63   parsed_1u6p   1   
         2   "###### Begin NC-linker"                                              2   1    2   24   parsed_1u6p   1   
         3   "#############################################################"       3   1    3   63   parsed_1u6p   1   
         4   "CONTAINS PSEUDOATOM CORRECTIONS!!!!!"                                5   1    5   38   parsed_1u6p   1   
         5   "Upper limit restraints of MMLV Nucleocapsid Protein"                 7   1    7   53   parsed_1u6p   1   
         6   "April 2003, MFS, VDS"                                                8   1    8   22   parsed_1u6p   1   
         7    -----------------------------------------------------------          9   1    9   60   parsed_1u6p   1   
         8   "Begin NC restraints"                                                10   1   10   20   parsed_1u6p   1   
         9    -----------------------------------------------------------------   11   1   11   66   parsed_1u6p   1   
        10   "ZN Ligands"                                                         12   1   12   21   parsed_1u6p   1   
        11    -----------------------------------------------------------------   13   1   13   66   parsed_1u6p   1   
        12   "39 CYSZ ZN     39 CYSZ CB      3.5  1.00E+00 #Defined in lib"       16   1   16   61   parsed_1u6p   1   
        13    -----------------------------------------------------------------   21   1   21   66   parsed_1u6p   1   
        14   "ZN Geometry"                                                        22   1   22   35   parsed_1u6p   1   
        15    -----------------------------------------------------------------   23   1   23   66   parsed_1u6p   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 10:22:35 PM GMT (wattos1)