NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing in_recoord stage program type item_count
33332 1i42 5155 cing recoord 2-parsed STAR dipolar coupling 56


data_1i42_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1i42 
    _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_1i42   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1i42 
    _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   1i42   "Master copy"    parsed_1i42   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1i42 
    _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   1i42.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1i42   1   
        1   1i42.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               1049   parsed_1i42   1   
        1   1i42.mr   .   .    XPLOR/CNS     3   "dipolar coupling"        "Not applicable"    "Not applicable"      56   parsed_1i42   1   
        1   1i42.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple                0   parsed_1i42   1   
        1   1i42.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"    "Not applicable"       0   parsed_1i42   1   
        1   1i42.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1i42   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_3
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1i42 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.9122   .   .   .   .   P47   10   .   N   P47   10   .   HN   parsed_1i42   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.1626   .   .   .   .   P47   11   .   N   P47   11   .   HN   parsed_1i42   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.2334   .   .   .   .   P47   12   .   N   P47   12   .   HN   parsed_1i42   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.9058   .   .   .   .   P47   14   .   N   P47   14   .   HN   parsed_1i42   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.7302   .   .   .   .   P47   15   .   N   P47   15   .   HN   parsed_1i42   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3954   .   .   .   .   P47   16   .   N   P47   16   .   HN   parsed_1i42   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.0813   .   .   .   .   P47   17   .   N   P47   17   .   HN   parsed_1i42   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.7873   .   .   .   .   P47   18   .   N   P47   18   .   HN   parsed_1i42   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.3447   .   .   .   .   P47   19   .   N   P47   19   .   HN   parsed_1i42   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.2705   .   .   .   .   P47   20   .   N   P47   20   .   HN   parsed_1i42   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.8279   .   .   .   .   P47   21   .   N   P47   21   .   HN   parsed_1i42   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.4192   .   .   .   .   P47   22   .   N   P47   22   .   HN   parsed_1i42   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.7638   .   .   .   .   P47   24   .   N   P47   24   .   HN   parsed_1i42   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.1827   .   .   .   .   P47   26   .   N   P47   26   .   HN   parsed_1i42   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.4832   .   .   .   .   P47   27   .   N   P47   27   .   HN   parsed_1i42   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.723    .   .   .   .   P47   29   .   N   P47   29   .   HN   parsed_1i42   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.4054   .   .   .   .   P47   30   .   N   P47   30   .   HN   parsed_1i42   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.4361   .   .   .   .   P47   31   .   N   P47   31   .   HN   parsed_1i42   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.4361   .   .   .   .   P47   74   .   N   P47   74   .   HN   parsed_1i42   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.5746   .   .   .   .   P47   35   .   N   P47   35   .   HN   parsed_1i42   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.2434   .   .   .   .   P47   36   .   N   P47   36   .   HN   parsed_1i42   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.8787   .   .   .   .   P47   37   .   N   P47   37   .   HN   parsed_1i42   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.6895   .   .   .   .   P47   38   .   N   P47   38   .   HN   parsed_1i42   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.3112   .   .   .   .   P47   40   .   N   P47   40   .   HN   parsed_1i42   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.2369   .   .   .   .   P47   44   .   N   P47   44   .   HN   parsed_1i42   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.0681   .   .   .   .   P47   50   .   N   P47   50   .   HN   parsed_1i42   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.0681   .   .   .   .   P47   64   .   N   P47   64   .   HN   parsed_1i42   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.0681   .   .   .   .   P47   81   .   N   P47   81   .   HN   parsed_1i42   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.5339   .   .   .   .   P47   51   .   N   P47   51   .   HN   parsed_1i42   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.0135   .   .   .   .   P47   52   .   N   P47   52   .   HN   parsed_1i42   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.4597   .   .   .   .   P47   53   .   N   P47   53   .   HN   parsed_1i42   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.5475   .   .   .   .   P47   54   .   N   P47   54   .   HN   parsed_1i42   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.4228   .   .   .   .   P47   56   .   N   P47   56   .   HN   parsed_1i42   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.3312   .   .   .   .   P47   58   .   N   P47   58   .   HN   parsed_1i42   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.1927   .   .   .   .   P47   60   .   N   P47   60   .   HN   parsed_1i42   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.0136   .   .   .   .   P47   62   .   N   P47   62   .   HN   parsed_1i42   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.0136   .   .   .   .   P47   65   .   N   P47   65   .   HN   parsed_1i42   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.9022   .   .   .   .   P47   66   .   N   P47   66   .   HN   parsed_1i42   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.3618   .   .   .   .   P47   67   .   N   P47   67   .   HN   parsed_1i42   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.2163   .   .   .   .   P47   68   .   N   P47   68   .   HN   parsed_1i42   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.7773   .   .   .   .   P47   69   .   N   P47   69   .   HN   parsed_1i42   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.4225   .   .   .   .   P47    6   .   N   P47    6   .   HN   parsed_1i42   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.1285   .   .   .   .   P47   70   .   N   P47   70   .   HN   parsed_1i42   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.142    .   .   .   .   P47   71   .   N   P47   71   .   HN   parsed_1i42   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.8319   .   .   .   .   P47   79   .   N   P47   79   .   HN   parsed_1i42   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.1692   .   .   .   .   P47    7   .   N   P47    7   .   HN   parsed_1i42   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.5981   .   .   .   .   P47   80   .   N   P47   80   .   HN   parsed_1i42   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.0985   .   .   .   .   P47   82   .   N   P47   82   .   HN   parsed_1i42   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.6117   .   .   .   .   P47   84   .   N   P47   84   .   HN   parsed_1i42   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.6759   .   .   .   .   P47   85   .   N   P47   85   .   HN   parsed_1i42   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.0642   .   .   .   .   P47   86   .   N   P47   86   .   HN   parsed_1i42   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.828    .   .   .   .   P47   87   .   N   P47   87   .   HN   parsed_1i42   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.7434   .   .   .   .   P47   88   .   N   P47   88   .   HN   parsed_1i42   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.4833   .   .   .   .   P47   89   .   N   P47   89   .   HN   parsed_1i42   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.6488   .   .   .   .   P47    8   .   N   P47    8   .   HN   parsed_1i42   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.5982   .   .   .   .   P47    9   .   N   P47    9   .   HN   parsed_1i42   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   10     4   1     4   8   parsed_1i42   1   
         2   11     8   1     8   8   parsed_1i42   1   
         3   12    12   1    12   8   parsed_1i42   1   
         4   14    16   1    16   8   parsed_1i42   1   
         5   15    20   1    20   8   parsed_1i42   1   
         6   16    24   1    24   8   parsed_1i42   1   
         7   17    28   1    28   8   parsed_1i42   1   
         8   18    32   1    32   8   parsed_1i42   1   
         9   19    36   1    36   8   parsed_1i42   1   
        10   20    40   1    40   8   parsed_1i42   1   
        11   21    44   1    44   8   parsed_1i42   1   
        12   22    48   1    48   8   parsed_1i42   1   
        13   24    52   1    52   8   parsed_1i42   1   
        14   26    56   1    56   8   parsed_1i42   1   
        15   27    60   1    60   8   parsed_1i42   1   
        16   29    64   1    64   8   parsed_1i42   1   
        17   30    68   1    68   8   parsed_1i42   1   
        18   31    72   1    72   8   parsed_1i42   1   
        19   74    76   1    76   8   parsed_1i42   1   
        20   35    80   1    80   8   parsed_1i42   1   
        21   36    84   1    84   8   parsed_1i42   1   
        22   37    88   1    88   8   parsed_1i42   1   
        23   38    92   1    92   8   parsed_1i42   1   
        24   40    96   1    96   8   parsed_1i42   1   
        25   44   100   1   100   8   parsed_1i42   1   
        26   50   104   1   104   8   parsed_1i42   1   
        27   64   108   1   108   8   parsed_1i42   1   
        28   81   112   1   112   8   parsed_1i42   1   
        29   51   116   1   116   8   parsed_1i42   1   
        30   52   120   1   120   8   parsed_1i42   1   
        31   53   124   1   124   8   parsed_1i42   1   
        32   54   128   1   128   8   parsed_1i42   1   
        33   56   132   1   132   8   parsed_1i42   1   
        34   58   136   1   136   8   parsed_1i42   1   
        35   60   140   1   140   8   parsed_1i42   1   
        36   62   144   1   144   8   parsed_1i42   1   
        37   65   148   1   148   8   parsed_1i42   1   
        38   66   152   1   152   8   parsed_1i42   1   
        39   67   156   1   156   8   parsed_1i42   1   
        40   68   160   1   160   8   parsed_1i42   1   
        41   69   164   1   164   8   parsed_1i42   1   
        42    6   168   1   168   7   parsed_1i42   1   
        43   70   172   1   172   8   parsed_1i42   1   
        44   71   176   1   176   8   parsed_1i42   1   
        45   79   180   1   180   8   parsed_1i42   1   
        46    7   184   1   184   7   parsed_1i42   1   
        47   80   188   1   188   8   parsed_1i42   1   
        48   82   192   1   192   8   parsed_1i42   1   
        49   84   196   1   196   8   parsed_1i42   1   
        50   85   200   1   200   8   parsed_1i42   1   
        51   86   204   1   204   8   parsed_1i42   1   
        52   87   208   1   208   8   parsed_1i42   1   
        53   88   212   1   212   8   parsed_1i42   1   
        54   89   216   1   216   8   parsed_1i42   1   
        55    8   220   1   220   7   parsed_1i42   1   
        56    9   224   1   224   7   parsed_1i42   1   
    stop_

save_





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