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
47975 2hqr cing 2-parsed STAR dipolar coupling 19


data_2hqr_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2hqr 
    _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_2hqr   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2hqr 
    _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   2hqr   "Master copy"    parsed_2hqr   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2hqr 
    _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   2hqr.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2hqr   1   
        1   2hqr.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             6694   parsed_2hqr   1   
        1   2hqr.mr   .   .    XPLOR/CNS     3   "dipolar coupling"        "Not applicable"    "Not applicable"      19   parsed_2hqr   1   
        1   2hqr.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2hqr   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_3
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2hqr 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            3 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.2300    3.2300    3.2300   .   .   a   158   .   N   a   158   .   HN   parsed_2hqr   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -8.7000   -8.7000   -8.7000   .   .   a   159   .   N   a   159   .   HN   parsed_2hqr   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.2000   -2.2000   -2.2000   .   .   a   163   .   N   a   163   .   HN   parsed_2hqr   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.1500   -4.1500   -4.1500   .   .   a   164   .   N   a   164   .   HN   parsed_2hqr   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.8200   -1.8200   -1.8200   .   .   a   166   .   N   a   166   .   HN   parsed_2hqr   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.3300   -1.3300   -1.3300   .   .   a   170   .   N   a   170   .   HN   parsed_2hqr   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.5300    4.5300    4.5300   .   .   a   180   .   N   a   180   .   HN   parsed_2hqr   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.7600    5.7600    5.7600   .   .   a   187   .   N   a   187   .   HN   parsed_2hqr   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.3600   -0.3600   -0.3600   .   .   a   188   .   N   a   188   .   HN   parsed_2hqr   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.3600    1.3600    1.3600   .   .   a   197   .   N   a   197   .   HN   parsed_2hqr   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.7300    0.7300    0.7300   .   .   a   202   .   N   a   202   .   HN   parsed_2hqr   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.0100    4.0100    4.0100   .   .   a   204   .   N   a   204   .   HN   parsed_2hqr   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.3000   -3.3000   -3.3000   .   .   a   207   .   N   a   207   .   HN   parsed_2hqr   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.3400   -2.3400   -2.3400   .   .   a   212   .   N   a   212   .   HN   parsed_2hqr   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.9200    0.9200    0.9200   .   .   a   213   .   N   a   213   .   HN   parsed_2hqr   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.1900    2.1900    2.1900   .   .   a   215   .   N   a   215   .   HN   parsed_2hqr   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.0800   -2.0800   -2.0800   .   .   a   218   .   N   a   218   .   HN   parsed_2hqr   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.7200    3.7200    3.7200   .   .   a   220   .   N   a   220   .   HN   parsed_2hqr   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.0400    1.0400    1.0400   .   .   a   223   .   N   a   223   .   HN   parsed_2hqr   1   
    stop_

save_





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