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
42881 1zri cing 2-parsed STAR dipolar coupling 80


data_1zri_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1zri 
    _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_1zri   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1zri 
    _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   1zri   "Master copy"    parsed_1zri   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1zri 
    _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   1zri.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1zri   1   
        1   1zri.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1477   parsed_1zri   1   
        1   1zri.mr   .   .    XPLOR/CNS     3   "dipolar coupling"        "Not applicable"    "Not applicable"      80   parsed_1zri   1   
        1   1zri.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"       0   parsed_1zri   1   
        1   1zri.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1zri   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_3
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1zri 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     -.8   .   .   .   .   omp1     3   .   n   omp1     3   .   hn   parsed_1zri   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.4   .   .   .   .   omp1     5   .   n   omp1     5   .   hn   parsed_1zri   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.9   .   .   .   .   omp1     8   .   n   omp1     8   .   hn   parsed_1zri   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -30     .   .   .   .   omp1    11   .   n   omp1    11   .   hn   parsed_1zri   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -28.7   .   .   .   .   omp1    12   .   n   omp1    12   .   hn   parsed_1zri   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -27.6   .   .   .   .   omp1    13   .   n   omp1    13   .   hn   parsed_1zri   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.4   .   .   .   .   omp1    17   .   n   omp1    17   .   hn   parsed_1zri   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -26.8   .   .   .   .   omp1    18   .   n   omp1    18   .   hn   parsed_1zri   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.7   .   .   .   .   omp1    19   .   n   omp1    19   .   hn   parsed_1zri   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.1   .   .   .   .   omp1    21   .   n   omp1    21   .   hn   parsed_1zri   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.1   .   .   .   .   omp1    22   .   n   omp1    22   .   hn   parsed_1zri   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.7   .   .   .   .   omp1    23   .   n   omp1    23   .   hn   parsed_1zri   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    26     .   .   .   .   omp1    24   .   n   omp1    24   .   hn   parsed_1zri   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.9   .   .   .   .   omp1    25   .   n   omp1    25   .   hn   parsed_1zri   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.7   .   .   .   .   omp1    29   .   n   omp1    29   .   hn   parsed_1zri   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    29.2   .   .   .   .   omp1    31   .   n   omp1    31   .   hn   parsed_1zri   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.6   .   .   .   .   omp1    35   .   n   omp1    35   .   hn   parsed_1zri   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.3   .   .   .   .   omp1    37   .   n   omp1    37   .   hn   parsed_1zri   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.2   .   .   .   .   omp1    39   .   n   omp1    39   .   hn   parsed_1zri   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.4   .   .   .   .   omp1    44   .   n   omp1    44   .   hn   parsed_1zri   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -21.9   .   .   .   .   omp1    45   .   n   omp1    45   .   hn   parsed_1zri   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.5   .   .   .   .   omp1    46   .   n   omp1    46   .   hn   parsed_1zri   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.9   .   .   .   .   omp1    47   .   n   omp1    47   .   hn   parsed_1zri   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.9   .   .   .   .   omp1    51   .   n   omp1    51   .   hn   parsed_1zri   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -30.8   .   .   .   .   omp1    53   .   n   omp1    53   .   hn   parsed_1zri   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17     .   .   .   .   omp1    54   .   n   omp1    54   .   hn   parsed_1zri   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.3   .   .   .   .   omp1    55   .   n   omp1    55   .   hn   parsed_1zri   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.4   .   .   .   .   omp1    56   .   n   omp1    56   .   hn   parsed_1zri   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.2   .   .   .   .   omp1    57   .   n   omp1    57   .   hn   parsed_1zri   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.7   .   .   .   .   omp1    59   .   n   omp1    59   .   hn   parsed_1zri   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.9   .   .   .   .   omp1    60   .   n   omp1    60   .   hn   parsed_1zri   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.2   .   .   .   .   omp1    62   .   n   omp1    62   .   hn   parsed_1zri   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.4   .   .   .   .   omp1    64   .   n   omp1    64   .   hn   parsed_1zri   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.8   .   .   .   .   omp1    65   .   n   omp1    65   .   hn   parsed_1zri   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.2   .   .   .   .   omp1    66   .   n   omp1    66   .   hn   parsed_1zri   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -22.7   .   .   .   .   omp1    68   .   n   omp1    68   .   hn   parsed_1zri   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.4   .   .   .   .   omp1    71   .   n   omp1    71   .   hn   parsed_1zri   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.4   .   .   .   .   omp1    78   .   n   omp1    78   .   hn   parsed_1zri   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0     .   .   .   .   omp1    80   .   n   omp1    80   .   hn   parsed_1zri   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.1   .   .   .   .   omp1    81   .   n   omp1    81   .   hn   parsed_1zri   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -20.3   .   .   .   .   omp1    82   .   n   omp1    82   .   hn   parsed_1zri   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.2   .   .   .   .   omp1    84   .   n   omp1    84   .   hn   parsed_1zri   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.8   .   .   .   .   omp1    86   .   n   omp1    86   .   hn   parsed_1zri   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.2   .   .   .   .   omp1    87   .   n   omp1    87   .   hn   parsed_1zri   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0     .   .   .   .   omp1    88   .   n   omp1    88   .   hn   parsed_1zri   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.7   .   .   .   .   omp1    90   .   n   omp1    90   .   hn   parsed_1zri   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.4   .   .   .   .   omp1    94   .   n   omp1    94   .   hn   parsed_1zri   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    26     .   .   .   .   omp1    96   .   n   omp1    96   .   hn   parsed_1zri   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.8   .   .   .   .   omp1    98   .   n   omp1    98   .   hn   parsed_1zri   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.9   .   .   .   .   omp1    99   .   n   omp1    99   .   hn   parsed_1zri   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -30     .   .   .   .   omp1   100   .   n   omp1   100   .   hn   parsed_1zri   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.8   .   .   .   .   omp1   101   .   n   omp1   101   .   hn   parsed_1zri   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.6   .   .   .   .   omp1   105   .   n   omp1   105   .   hn   parsed_1zri   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.5   .   .   .   .   omp1   107   .   n   omp1   107   .   hn   parsed_1zri   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.3   .   .   .   .   omp1   109   .   n   omp1   109   .   hn   parsed_1zri   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.9   .   .   .   .   omp1   110   .   n   omp1   110   .   hn   parsed_1zri   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.6   .   .   .   .   omp1   111   .   n   omp1   111   .   hn   parsed_1zri   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.5   .   .   .   .   omp1   114   .   n   omp1   114   .   hn   parsed_1zri   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.9   .   .   .   .   omp1   116   .   n   omp1   116   .   hn   parsed_1zri   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.9   .   .   .   .   omp1   119   .   n   omp1   119   .   hn   parsed_1zri   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.7   .   .   .   .   omp1   131   .   n   omp1   131   .   hn   parsed_1zri   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -28.4   .   .   .   .   omp1   132   .   n   omp1   132   .   hn   parsed_1zri   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.1   .   .   .   .   omp1   138   .   n   omp1   138   .   hn   parsed_1zri   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -26.8   .   .   .   .   omp1   141   .   n   omp1   141   .   hn   parsed_1zri   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.8   .   .   .   .   omp1   142   .   n   omp1   142   .   hn   parsed_1zri   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.5   .   .   .   .   omp1   143   .   n   omp1   143   .   hn   parsed_1zri   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.2   .   .   .   .   omp1   144   .   n   omp1   144   .   hn   parsed_1zri   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.6   .   .   .   .   omp1   145   .   n   omp1   145   .   hn   parsed_1zri   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.6   .   .   .   .   omp1   146   .   n   omp1   146   .   hn   parsed_1zri   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.8   .   .   .   .   omp1   148   .   n   omp1   148   .   hn   parsed_1zri   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.1   .   .   .   .   omp1   152   .   n   omp1   152   .   hn   parsed_1zri   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.5   .   .   .   .   omp1   153   .   n   omp1   153   .   hn   parsed_1zri   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.6   .   .   .   .   omp1   155   .   n   omp1   155   .   hn   parsed_1zri   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.9   .   .   .   .   omp1   156   .   n   omp1   156   .   hn   parsed_1zri   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.7   .   .   .   .   omp1   157   .   n   omp1   157   .   hn   parsed_1zri   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17     .   .   .   .   omp1   158   .   n   omp1   158   .   hn   parsed_1zri   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.4   .   .   .   .   omp1   159   .   n   omp1   159   .   hn   parsed_1zri   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -30.8   .   .   .   .   omp1   160   .   n   omp1   160   .   hn   parsed_1zri   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.5   .   .   .   .   omp1   161   .   n   omp1   161   .   hn   parsed_1zri   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.2   .   .   .   .   omp1   163   .   n   omp1   163   .   hn   parsed_1zri   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   "Dipolar coupling data- IPAP on 5% acrylamide gel, radially compressed"    2   1   2   71   parsed_1zri   1   
    stop_

save_





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