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
515695 1u81 cing 2-parsed STAR dipolar coupling 81


data_1u81_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1u81 
    _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_1u81   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1u81 
    _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   1u81   "Master copy"    parsed_1u81   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1u81 
    _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   1u81.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1u81   1   
        1   1u81.mr   .   .    XPLOR/CNS     2   "dipolar coupling"        "Not applicable"    "Not applicable"    120   parsed_1u81   1   
        1   1u81.mr   .   .    XPLOR/CNS     3   "dipolar coupling"        "Not applicable"    "Not applicable"     81   parsed_1u81   1   
        1   1u81.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1u81   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_3
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1u81 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.223   .   .   .   .   .    19   .   N   .    19   .   HN   parsed_1u81   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.248   .   .   .   .   .    20   .   N   .    20   .   HN   parsed_1u81   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.069   .   .   .   .   .    21   .   N   .    21   .   HN   parsed_1u81   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.541   .   .   .   .   .    22   .   N   .    22   .   HN   parsed_1u81   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.62    .   .   .   .   .    24   .   N   .    24   .   HN   parsed_1u81   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.34    .   .   .   .   .    25   .   N   .    25   .   HN   parsed_1u81   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.089   .   .   .   .   .    27   .   N   .    27   .   HN   parsed_1u81   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.064   .   .   .   .   .    28   .   N   .    28   .   HN   parsed_1u81   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.38    .   .   .   .   .    35   .   N   .    35   .   HN   parsed_1u81   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.17    .   .   .   .   .    41   .   N   .    41   .   HN   parsed_1u81   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.23    .   .   .   .   .    44   .   N   .    44   .   HN   parsed_1u81   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.25    .   .   .   .   .    45   .   N   .    45   .   HN   parsed_1u81   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.304   .   .   .   .   .    51   .   N   .    51   .   HN   parsed_1u81   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.99    .   .   .   .   .    54   .   N   .    54   .   HN   parsed_1u81   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.65    .   .   .   .   .    55   .   N   .    55   .   HN   parsed_1u81   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.35    .   .   .   .   .    56   .   N   .    56   .   HN   parsed_1u81   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.46    .   .   .   .   .    57   .   N   .    57   .   HN   parsed_1u81   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.14    .   .   .   .   .    59   .   N   .    59   .   HN   parsed_1u81   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.35    .   .   .   .   .    66   .   N   .    66   .   HN   parsed_1u81   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.096   .   .   .   .   .    71   .   N   .    71   .   HN   parsed_1u81   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.68    .   .   .   .   .    73   .   N   .    73   .   HN   parsed_1u81   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.41    .   .   .   .   .    75   .   N   .    75   .   HN   parsed_1u81   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.42    .   .   .   .   .    79   .   N   .    79   .   HN   parsed_1u81   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.46    .   .   .   .   .    83   .   N   .    83   .   HN   parsed_1u81   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.85    .   .   .   .   .    87   .   N   .    87   .   HN   parsed_1u81   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.94    .   .   .   .   .    88   .   N   .    88   .   HN   parsed_1u81   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.96    .   .   .   .   .    89   .   N   .    89   .   HN   parsed_1u81   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.46    .   .   .   .   .    90   .   N   .    90   .   HN   parsed_1u81   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.01    .   .   .   .   .    91   .   N   .    91   .   HN   parsed_1u81   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.99    .   .   .   .   .    92   .   N   .    92   .   HN   parsed_1u81   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.71    .   .   .   .   .    93   .   N   .    93   .   HN   parsed_1u81   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.724   .   .   .   .   .    95   .   N   .    95   .   HN   parsed_1u81   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.5     .   .   .   .   .    96   .   N   .    96   .   HN   parsed_1u81   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.93    .   .   .   .   .    97   .   N   .    97   .   HN   parsed_1u81   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.26    .   .   .   .   .    98   .   N   .    98   .   HN   parsed_1u81   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.52    .   .   .   .   .   100   .   N   .   100   .   HN   parsed_1u81   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.64    .   .   .   .   .   102   .   N   .   102   .   HN   parsed_1u81   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.83    .   .   .   .   .   103   .   N   .   103   .   HN   parsed_1u81   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.02    .   .   .   .   .   104   .   N   .   104   .   HN   parsed_1u81   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.43    .   .   .   .   .   107   .   N   .   107   .   HN   parsed_1u81   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.26    .   .   .   .   .   108   .   N   .   108   .   HN   parsed_1u81   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.88    .   .   .   .   .   110   .   N   .   110   .   HN   parsed_1u81   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.41    .   .   .   .   .   111   .   N   .   111   .   HN   parsed_1u81   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.83    .   .   .   .   .   112   .   N   .   112   .   HN   parsed_1u81   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.404   .   .   .   .   .   119   .   N   .   119   .   HN   parsed_1u81   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.19    .   .   .   .   .   120   .   N   .   120   .   HN   parsed_1u81   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.22    .   .   .   .   .   122   .   N   .   122   .   HN   parsed_1u81   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.53    .   .   .   .   .   123   .   N   .   123   .   HN   parsed_1u81   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.94    .   .   .   .   .   124   .   N   .   124   .   HN   parsed_1u81   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.706   .   .   .   .   .   125   .   N   .   125   .   HN   parsed_1u81   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.09    .   .   .   .   .   126   .   N   .   126   .   HN   parsed_1u81   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.77    .   .   .   .   .   129   .   N   .   129   .   HN   parsed_1u81   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.89    .   .   .   .   .   130   .   N   .   130   .   HN   parsed_1u81   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.89    .   .   .   .   .   133   .   N   .   133   .   HN   parsed_1u81   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.12    .   .   .   .   .   135   .   N   .   135   .   HN   parsed_1u81   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.53    .   .   .   .   .   139   .   N   .   139   .   HN   parsed_1u81   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.59    .   .   .   .   .   140   .   N   .   140   .   HN   parsed_1u81   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.52    .   .   .   .   .   141   .   N   .   141   .   HN   parsed_1u81   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.15    .   .   .   .   .   143   .   N   .   143   .   HN   parsed_1u81   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.6     .   .   .   .   .   144   .   N   .   144   .   HN   parsed_1u81   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.85    .   .   .   .   .   145   .   N   .   145   .   HN   parsed_1u81   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.33    .   .   .   .   .   146   .   N   .   146   .   HN   parsed_1u81   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.86    .   .   .   .   .   148   .   N   .   148   .   HN   parsed_1u81   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.024   .   .   .   .   .   152   .   N   .   152   .   HN   parsed_1u81   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.03    .   .   .   .   .   153   .   N   .   153   .   HN   parsed_1u81   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.42    .   .   .   .   .   154   .   N   .   154   .   HN   parsed_1u81   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.07    .   .   .   .   .   155   .   N   .   155   .   HN   parsed_1u81   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.3     .   .   .   .   .   156   .   N   .   156   .   HN   parsed_1u81   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.59    .   .   .   .   .   157   .   N   .   157   .   HN   parsed_1u81   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.67    .   .   .   .   .   158   .   N   .   158   .   HN   parsed_1u81   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.6     .   .   .   .   .   160   .   N   .   160   .   HN   parsed_1u81   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.83    .   .   .   .   .   161   .   N   .   161   .   HN   parsed_1u81   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.58    .   .   .   .   .   163   .   N   .   163   .   HN   parsed_1u81   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.13    .   .   .   .   .   165   .   N   .   165   .   HN   parsed_1u81   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.4     .   .   .   .   .   168   .   N   .   168   .   HN   parsed_1u81   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.94    .   .   .   .   .   169   .   N   .   169   .   HN   parsed_1u81   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.4     .   .   .   .   .   173   .   N   .   173   .   HN   parsed_1u81   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.81    .   .   .   .   .   174   .   N   .   174   .   HN   parsed_1u81   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.07    .   .   .   .   .   176   .   N   .   176   .   HN   parsed_1u81   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.57    .   .   .   .   .   180   .   N   .   180   .   HN   parsed_1u81   1   
        81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.35    .   .   .   .   .   181   .   N   .   181   .   HN   parsed_1u81   1   
    stop_

save_





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