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
53987 2w0t cing 2-parsed STAR dipolar coupling 33


data_2w0t_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2w0t 
    _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_2w0t   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2w0t 
    _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   2w0t   "Master copy"    parsed_2w0t   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2w0t 
    _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   2w0t.mr   .   .   "MR format"    1    comment              "Not applicable"      "Not applicable"     0   parsed_2w0t   1   
        1   2w0t.mr   .   .    XPLOR/CNS     2   "dihedral angle"      "Not applicable"      "Not applicable"    71   parsed_2w0t   1   
        1   2w0t.mr   .   .    XPLOR/CNS     3    distance             "general distance"     simple             10   parsed_2w0t   1   
        1   2w0t.mr   .   .    XPLOR/CNS     4    distance             "hydrogen bond"        simple             18   parsed_2w0t   1   
        1   2w0t.mr   .   .    XPLOR/CNS     5   "dipolar coupling"    "Not applicable"      "Not applicable"    33   parsed_2w0t   1   
        1   2w0t.mr   .   .    XPLOR/CNS     6    distance              NOE                   simple              0   parsed_2w0t   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2w0t 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            5 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.675   .   .   .   .   .    83   .   N   .    83   .   HN   parsed_2w0t   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.305   .   .   .   .   .    84   .   N   .    84   .   HN   parsed_2w0t   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.830   .   .   .   .   .    85   .   N   .    85   .   HN   parsed_2w0t   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.155   .   .   .   .   .    86   .   N   .    86   .   HN   parsed_2w0t   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.095   .   .   .   .   .    88   .   N   .    88   .   HN   parsed_2w0t   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.875   .   .   .   .   .    89   .   N   .    89   .   HN   parsed_2w0t   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.525   .   .   .   .   .    91   .   N   .    91   .   HN   parsed_2w0t   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.780   .   .   .   .   .    92   .   N   .    92   .   HN   parsed_2w0t   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.295   .   .   .   .   .    93   .   N   .    93   .   HN   parsed_2w0t   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.720   .   .   .   .   .    94   .   N   .    94   .   HN   parsed_2w0t   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.680   .   .   .   .   .    95   .   N   .    95   .   HN   parsed_2w0t   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.830   .   .   .   .   .    96   .   N   .    96   .   HN   parsed_2w0t   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.250   .   .   .   .   .    97   .   N   .    97   .   HN   parsed_2w0t   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.330   .   .   .   .   .    99   .   N   .    99   .   HN   parsed_2w0t   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.575   .   .   .   .   .   100   .   N   .   100   .   HN   parsed_2w0t   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.060   .   .   .   .   .   101   .   N   .   101   .   HN   parsed_2w0t   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.410   .   .   .   .   .   102   .   N   .   102   .   HN   parsed_2w0t   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.755   .   .   .   .   .   103   .   N   .   103   .   HN   parsed_2w0t   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.585   .   .   .   .   .   108   .   N   .   108   .   HN   parsed_2w0t   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.020   .   .   .   .   .   109   .   N   .   109   .   HN   parsed_2w0t   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.180   .   .   .   .   .   110   .   N   .   110   .   HN   parsed_2w0t   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.405   .   .   .   .   .   111   .   N   .   111   .   HN   parsed_2w0t   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.120   .   .   .   .   .   112   .   N   .   112   .   HN   parsed_2w0t   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.020   .   .   .   .   .   115   .   N   .   115   .   HN   parsed_2w0t   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.085   .   .   .   .   .   116   .   N   .   116   .   HN   parsed_2w0t   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.505   .   .   .   .   .   117   .   N   .   117   .   HN   parsed_2w0t   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.780   .   .   .   .   .   118   .   N   .   118   .   HN   parsed_2w0t   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.435   .   .   .   .   .   119   .   N   .   119   .   HN   parsed_2w0t   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.900   .   .   .   .   .   120   .   N   .   120   .   HN   parsed_2w0t   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.350   .   .   .   .   .   121   .   N   .   121   .   HN   parsed_2w0t   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.820   .   .   .   .   .   122   .   N   .   122   .   HN   parsed_2w0t   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.245   .   .   .   .   .   123   .   N   .   123   .   HN   parsed_2w0t   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.770   .   .   .   .   .   124   .   N   .   124   .   HN   parsed_2w0t   1   
    stop_

save_





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