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
496835 2l5z 17292 cing 2-parsed STAR dipolar coupling 30


data_2l5z_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2l5z 
    _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_2l5z   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2l5z 
    _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   2l5z   "Master copy"    parsed_2l5z   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2l5z 
    _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   2l5z.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2l5z   1   
        1   2l5z.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               676   parsed_2l5z   1   
        1   2l5z.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              52   parsed_2l5z   1   
        1   2l5z.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"     30   parsed_2l5z   1   
        1   2l5z.mr   .   .    XPLOR/CNS     5    distance                  NOE                 simple               0   parsed_2l5z   1   
        1   2l5z.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_2l5z   1   
        1   2l5z.mr   .   .    XPLOR/CNS     7    distance                  NOE                 ambi                 0   parsed_2l5z   1   
        1   2l5z.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2l5z   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_4
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2l5z 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -25.605    .   .   .   .   .    2   .   C1'   .    2   .   H1'   parsed_2l5z   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -26.297    .   .   .   .   .   10   .   C1'   .   10   .   H1'   parsed_2l5z   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.085    .   .   .   .   .   12   .   C1'   .   12   .   H1'   parsed_2l5z   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.460    .   .   .   .   .   13   .   C1'   .   13   .   H1'   parsed_2l5z   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.090    .   .   .   .   .   16   .   C1'   .   16   .   H1'   parsed_2l5z   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.991    .   .   .   .   .   17   .   C1'   .   17   .   H1'   parsed_2l5z   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.515    .   .   .   .   .   18   .   C1'   .   18   .   H1'   parsed_2l5z   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.199    .   .   .   .   .   23   .   C1'   .   23   .   H1'   parsed_2l5z   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.430    .   .   .   .   .   25   .   C1'   .   25   .   H1'   parsed_2l5z   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.735    .   .   .   .   .    2   .   C2    .    2   .   H2    parsed_2l5z   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.915    .   .   .   .   .   11   .   C2    .   11   .   H2    parsed_2l5z   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.742    .   .   .   .   .   14   .   C2    .   14   .   H2    parsed_2l5z   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.057    .   .   .   .   .   15   .   C2    .   15   .   H2    parsed_2l5z   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.621    .   .   .   .   .   11   .   C8    .   11   .   H8    parsed_2l5z   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.633    .   .   .   .   .   14   .   C8    .   14   .   H8    parsed_2l5z   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.471    .   .   .   .   .   15   .   C8    .   15   .   H8    parsed_2l5z   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.061    .   .   .   .   .   19   .   C8    .   19   .   H8    parsed_2l5z   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.524    .   .   .   .   .   22   .   C8    .   22   .   H8    parsed_2l5z   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.149    .   .   .   .   .    5   .   C5    .    5   .   H5    parsed_2l5z   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.864    .   .   .   .   .   18   .   C5    .   18   .   H5    parsed_2l5z   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.352    .   .   .   .   .   25   .   C5    .   25   .   H5    parsed_2l5z   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.041    .   .   .   .   .    4   .   C6    .    4   .   H6    parsed_2l5z   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.630    .   .   .   .   .   12   .   C6    .   12   .   H6    parsed_2l5z   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.907    .   .   .   .   .   25   .   C6    .   25   .   H6    parsed_2l5z   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.7030   .   .   .   .   .    5   .   N3    .    5   .   H3    parsed_2l5z   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.1230   .   .   .   .   .   17   .   N1    .   17   .   H1    parsed_2l5z   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.5130   .   .   .   .   .   18   .   N3    .   18   .   H3    parsed_2l5z   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.3400   .   .   .   .   .   19   .   N1    .   19   .   H1    parsed_2l5z   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.9020   .   .   .   .   .   22   .   N1    .   22   .   H1    parsed_2l5z   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.1380   .   .   .   .   .   25   .   N3    .   25   .   H3    parsed_2l5z   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, December 3, 2022 1:36:52 PM GMT (wattos1)