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
473282 2kco 16089 cing 2-parsed STAR dipolar coupling 30


data_2kco_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kco 
    _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_2kco   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kco 
    _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   2kco   "Master copy"    parsed_2kco   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kco 
    _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   2kco.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2kco   1   
        1   2kco.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             2057   parsed_2kco   1   
        1   2kco.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     137   parsed_2kco   1   
        1   2kco.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"      30   parsed_2kco   1   
        1   2kco.mr   .   .    NMRPipe       5   "coupling constant"       "Not applicable"    "Not applicable"       0   parsed_2kco   1   
        1   2kco.mr   .   .    XEASY         6    peak                     "Not applicable"    "Not applicable"       0   parsed_2kco   1   
        1   2kco.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2kco   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_4
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2kco 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            4 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.6600   .   .   .   .   .    63   .   N   .    63   .   HN   parsed_2kco   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.4600   .   .   .   .   .    64   .   N   .    64   .   HN   parsed_2kco   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    8.8900   .   .   .   .   .    65   .   N   .    65   .   HN   parsed_2kco   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.1800   .   .   .   .   .    66   .   N   .    66   .   HN   parsed_2kco   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.8000   .   .   .   .   .    67   .   N   .    67   .   HN   parsed_2kco   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -9.0700   .   .   .   .   .    72   .   N   .    72   .   HN   parsed_2kco   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -8.2000   .   .   .   .   .    73   .   N   .    73   .   HN   parsed_2kco   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.1500   .   .   .   .   .    74   .   N   .    74   .   HN   parsed_2kco   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.1700   .   .   .   .   .    75   .   N   .    75   .   HN   parsed_2kco   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    6.8100   .   .   .   .   .    76   .   N   .    76   .   HN   parsed_2kco   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.1700   .   .   .   .   .    77   .   N   .    77   .   HN   parsed_2kco   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.5100   .   .   .   .   .    78   .   N   .    78   .   HN   parsed_2kco   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    8.0700   .   .   .   .   .    79   .   N   .    79   .   HN   parsed_2kco   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.3500   .   .   .   .   .    81   .   N   .    81   .   HN   parsed_2kco   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.8000   .   .   .   .   .    89   .   N   .    89   .   HN   parsed_2kco   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   10.5600   .   .   .   .   .    90   .   N   .    90   .   HN   parsed_2kco   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.2900   .   .   .   .   .    91   .   N   .    91   .   HN   parsed_2kco   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.6400   .   .   .   .   .   101   .   N   .   101   .   HN   parsed_2kco   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.5200   .   .   .   .   .   102   .   N   .   102   .   HN   parsed_2kco   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.1700   .   .   .   .   .   103   .   N   .   103   .   HN   parsed_2kco   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.9200   .   .   .   .   .   104   .   N   .   104   .   HN   parsed_2kco   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.3500   .   .   .   .   .   108   .   N   .   108   .   HN   parsed_2kco   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.3100   .   .   .   .   .   109   .   N   .   109   .   HN   parsed_2kco   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.9300   .   .   .   .   .   110   .   N   .   110   .   HN   parsed_2kco   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -8.9000   .   .   .   .   .   111   .   N   .   111   .   HN   parsed_2kco   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.8000   .   .   .   .   .   112   .   N   .   112   .   HN   parsed_2kco   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.9400   .   .   .   .   .   113   .   N   .   113   .   HN   parsed_2kco   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.4300   .   .   .   .   .   123   .   N   .   123   .   HN   parsed_2kco   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.8000   .   .   .   .   .   124   .   N   .   124   .   HN   parsed_2kco   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -8.6200   .   .   .   .   .   125   .   N   .   125   .   HN   parsed_2kco   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. Tuesday, May 7, 2024 6:31:25 PM GMT (wattos1)