NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type item_count
587646 2mk0 cing 2-parsed STAR dipolar coupling 43


data_2mk0_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mk0 
    _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_2mk0   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mk0 
    _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   2mk0   "Master copy"    parsed_2mk0   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mk0 
    _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   2mk0.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2mk0   1   
        1   2mk0.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1709   parsed_2mk0   1   
        1   2mk0.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     140   parsed_2mk0   1   
        1   2mk0.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple               13   parsed_2mk0   1   
        1   2mk0.mr   .   .    XPLOR/CNS     5   "coupling constant"       "Not applicable"    "Not applicable"       0   parsed_2mk0   1   
        1   2mk0.mr   .   .    XPLOR/CNS     6   "dipolar coupling"        "Not applicable"    "Not applicable"      43   parsed_2mk0   1   
        1   2mk0.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2mk0   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_6
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2mk0 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            6 
    _RDC_constraint_list.Details            "Generated by Wattos" 

    loop_
        _RDC_constraint.ID 
        _RDC_constraint.Assembly_atom_ID_1 
        _RDC_constraint.Entity_assembly_ID_1 
        _RDC_constraint.Entity_ID_1 
        _RDC_constraint.Comp_index_ID_1 
        _RDC_constraint.Seq_ID_1 
        _RDC_constraint.Comp_ID_1 
        _RDC_constraint.Atom_ID_1 
        _RDC_constraint.Resonance_ID_1 
        _RDC_constraint.Assembly_atom_ID_2 
        _RDC_constraint.Entity_assembly_ID_2 
        _RDC_constraint.Entity_ID_2 
        _RDC_constraint.Comp_index_ID_2 
        _RDC_constraint.Seq_ID_2 
        _RDC_constraint.Comp_ID_2 
        _RDC_constraint.Atom_ID_2 
        _RDC_constraint.Resonance_ID_2 
        _RDC_constraint.RDC_val 
        _RDC_constraint.RDC_lower_bound 
        _RDC_constraint.RDC_upper_bound 
        _RDC_constraint.RDC_val_err 
        _RDC_constraint.Source_experiment_ID 
        _RDC_constraint.Auth_asym_ID_1 
        _RDC_constraint.Auth_seq_ID_1 
        _RDC_constraint.Auth_comp_ID_1 
        _RDC_constraint.Auth_atom_ID_1 
        _RDC_constraint.Auth_asym_ID_2 
        _RDC_constraint.Auth_seq_ID_2 
        _RDC_constraint.Auth_comp_ID_2 
        _RDC_constraint.Auth_atom_ID_2 
        _RDC_constraint.Entry_ID 
        _RDC_constraint.RDC_constraint_list_ID 

         1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.5    .   .   .   .   .   375   .   HN   .   375   .   N   parsed_2mk0   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.9    .   .   .   .   .   378   .   HN   .   378   .   N   parsed_2mk0   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.4    .   .   .   .   .   379   .   HN   .   379   .   N   parsed_2mk0   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.03   .   .   .   .   .   385   .   HN   .   385   .   N   parsed_2mk0   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.4    .   .   .   .   .   389   .   HN   .   389   .   N   parsed_2mk0   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.8    .   .   .   .   .   390   .   HN   .   390   .   N   parsed_2mk0   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.15   .   .   .   .   .   392   .   HN   .   392   .   N   parsed_2mk0   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.0    .   .   .   .   .   394   .   HN   .   394   .   N   parsed_2mk0   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.8    .   .   .   .   .   396   .   HN   .   396   .   N   parsed_2mk0   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.2    .   .   .   .   .   397   .   HN   .   397   .   N   parsed_2mk0   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.79   .   .   .   .   .   398   .   HN   .   398   .   N   parsed_2mk0   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3    .   .   .   .   .   399   .   HN   .   399   .   N   parsed_2mk0   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.8    .   .   .   .   .   400   .   HN   .   400   .   N   parsed_2mk0   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.0    .   .   .   .   .   401   .   HN   .   401   .   N   parsed_2mk0   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.6    .   .   .   .   .   404   .   HN   .   404   .   N   parsed_2mk0   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.4    .   .   .   .   .   405   .   HN   .   405   .   N   parsed_2mk0   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.7    .   .   .   .   .   406   .   HN   .   406   .   N   parsed_2mk0   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.5    .   .   .   .   .   407   .   HN   .   407   .   N   parsed_2mk0   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.1    .   .   .   .   .   408   .   HN   .   408   .   N   parsed_2mk0   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.2    .   .   .   .   .   409   .   HN   .   409   .   N   parsed_2mk0   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.4    .   .   .   .   .   410   .   HN   .   410   .   N   parsed_2mk0   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.2    .   .   .   .   .   412   .   HN   .   412   .   N   parsed_2mk0   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.2    .   .   .   .   .   413   .   HN   .   413   .   N   parsed_2mk0   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.8    .   .   .   .   .   414   .   HN   .   414   .   N   parsed_2mk0   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.8    .   .   .   .   .   415   .   HN   .   415   .   N   parsed_2mk0   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6      .   .   .   .   .   416   .   HN   .   416   .   N   parsed_2mk0   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.1    .   .   .   .   .   421   .   HN   .   421   .   N   parsed_2mk0   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.5    .   .   .   .   .   422   .   HN   .   422   .   N   parsed_2mk0   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.9    .   .   .   .   .   423   .   HN   .   423   .   N   parsed_2mk0   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.7    .   .   .   .   .   424   .   HN   .   424   .   N   parsed_2mk0   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.0    .   .   .   .   .   426   .   HN   .   426   .   N   parsed_2mk0   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.0    .   .   .   .   .   427   .   HN   .   427   .   N   parsed_2mk0   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.9    .   .   .   .   .   428   .   HN   .   428   .   N   parsed_2mk0   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.3    .   .   .   .   .   430   .   HN   .   430   .   N   parsed_2mk0   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.6    .   .   .   .   .   431   .   HN   .   431   .   N   parsed_2mk0   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.6    .   .   .   .   .   432   .   HN   .   432   .   N   parsed_2mk0   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.4    .   .   .   .   .   433   .   HN   .   433   .   N   parsed_2mk0   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.4    .   .   .   .   .   435   .   HN   .   435   .   N   parsed_2mk0   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.7    .   .   .   .   .   438   .   HN   .   438   .   N   parsed_2mk0   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.9    .   .   .   .   .   442   .   HN   .   442   .   N   parsed_2mk0   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.0    .   .   .   .   .   446   .   HN   .   446   .   N   parsed_2mk0   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14      .   .   .   .   .   451   .   HN   .   451   .   N   parsed_2mk0   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.9    .   .   .   .   .   454   .   HN   .   454   .   N   parsed_2mk0   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. Saturday, May 4, 2024 9:39:10 AM GMT (wattos1)