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
515828 1zrr 4313 cing 2-parsed STAR dipolar coupling 35


data_1zrr_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1zrr 
    _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_1zrr   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1zrr 
    _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   1zrr   "Master copy"    parsed_1zrr   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1zrr 
    _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   1zrr.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1zrr   1   
        1   1zrr.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1251   parsed_1zrr   1   
        1   1zrr.mr   .   .    XPLOR/CNS     3   "dipolar coupling"        "Not applicable"    "Not applicable"     102   parsed_1zrr   1   
        1   1zrr.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"      35   parsed_1zrr   1   
        1   1zrr.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1zrr   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_4
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1zrr 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.57   .   .   .   .   .     6   .   N   .     6   .   HN   parsed_1zrr   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.79   .   .   .   .   .     7   .   N   .     7   .   HN   parsed_1zrr   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.02   .   .   .   .   .    32   .   N   .    32   .   HN   parsed_1zrr   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.00   .   .   .   .   .    33   .   N   .    33   .   HN   parsed_1zrr   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.01   .   .   .   .   .    34   .   N   .    34   .   HN   parsed_1zrr   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.00   .   .   .   .   .    35   .   N   .    35   .   HN   parsed_1zrr   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.20   .   .   .   .   .    44   .   N   .    44   .   HN   parsed_1zrr   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.80   .   .   .   .   .    49   .   N   .    49   .   HN   parsed_1zrr   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.36   .   .   .   .   .    51   .   N   .    51   .   HN   parsed_1zrr   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.47   .   .   .   .   .    60   .   N   .    60   .   HN   parsed_1zrr   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.40   .   .   .   .   .    63   .   N   .    63   .   HN   parsed_1zrr   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.6    .   .   .   .   .    69   .   N   .    69   .   HN   parsed_1zrr   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.28   .   .   .   .   .    70   .   N   .    70   .   HN   parsed_1zrr   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.98   .   .   .   .   .    72   .   N   .    72   .   HN   parsed_1zrr   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.0    .   .   .   .   .    73   .   N   .    73   .   HN   parsed_1zrr   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.00   .   .   .   .   .    74   .   N   .    74   .   HN   parsed_1zrr   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.00   .   .   .   .   .    81   .   N   .    81   .   HN   parsed_1zrr   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.50   .   .   .   .   .    82   .   N   .    82   .   HN   parsed_1zrr   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.72   .   .   .   .   .   109   .   N   .   109   .   HN   parsed_1zrr   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.01   .   .   .   .   .   111   .   N   .   111   .   HN   parsed_1zrr   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.11   .   .   .   .   .   113   .   N   .   113   .   HN   parsed_1zrr   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.67   .   .   .   .   .   122   .   N   .   122   .   HN   parsed_1zrr   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.00   .   .   .   .   .   123   .   N   .   123   .   HN   parsed_1zrr   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.83   .   .   .   .   .   125   .   N   .   125   .   HN   parsed_1zrr   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.00   .   .   .   .   .   131   .   N   .   131   .   HN   parsed_1zrr   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.00   .   .   .   .   .   145   .   N   .   145   .   HN   parsed_1zrr   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.11   .   .   .   .   .   146   .   N   .   146   .   HN   parsed_1zrr   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.29   .   .   .   .   .   152   .   N   .   152   .   HN   parsed_1zrr   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.94   .   .   .   .   .   154   .   N   .   154   .   HN   parsed_1zrr   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.90   .   .   .   .   .   155   .   N   .   155   .   HN   parsed_1zrr   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.41   .   .   .   .   .   156   .   N   .   156   .   HN   parsed_1zrr   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.61   .   .   .   .   .   168   .   N   .   168   .   HN   parsed_1zrr   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.0    .   .   .   .   .   172   .   N   .   172   .   HN   parsed_1zrr   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.69   .   .   .   .   .   173   .   N   .   173   .   HN   parsed_1zrr   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.0    .   .   .   .   .   179   .   N   .   179   .   HN   parsed_1zrr   1   
    stop_


    loop_
        _RDC_constraint_comment_org.ID 
        _RDC_constraint_comment_org.Comment_text 
        _RDC_constraint_comment_org.Comment_begin_line 
        _RDC_constraint_comment_org.Comment_begin_column 
        _RDC_constraint_comment_org.Comment_end_line 
        _RDC_constraint_comment_org.Comment_end_column 
        _RDC_constraint_comment_org.Entry_ID 
        _RDC_constraint_comment_org.RDC_constraint_list_ID 

        1   "ARD nophage-phage"    1   1   1   21   parsed_1zrr   1   
    stop_

save_





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