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
33867 1j3c cing 2-parsed STAR dipolar coupling 64


data_1j3c_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1j3c 
    _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_1j3c   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1j3c 
    _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   1j3c   "Master copy"    parsed_1j3c   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1j3c 
    _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   1j3c.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1j3c   1   
        1   1j3c.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1351   parsed_1j3c   1   
        1   1j3c.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"      28   parsed_1j3c   1   
        1   1j3c.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"      64   parsed_1j3c   1   
        1   1j3c.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1j3c   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_4
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1j3c 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.29     0.95     1.63   .   .   .    3   .   N   .    3   .   HN   parsed_1j3c   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.62     0.16     1.08   .   .   .    4   .   N   .    4   .   HN   parsed_1j3c   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.38     4.92     7.84   .   .   .    5   .   N   .    5   .   HN   parsed_1j3c   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.73    -4.25    -3.21   .   .   .    7   .   N   .    7   .   HN   parsed_1j3c   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.63    -4.72    -2.54   .   .   .    8   .   N   .    8   .   HN   parsed_1j3c   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.94    15.92    17.96   .   .   .   10   .   N   .   10   .   HN   parsed_1j3c   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.56    -6.47    -4.65   .   .   .   11   .   N   .   11   .   HN   parsed_1j3c   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.28    -9.04    -7.52   .   .   .   14   .   N   .   14   .   HN   parsed_1j3c   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.11    13.89    16.33   .   .   .   15   .   N   .   15   .   HN   parsed_1j3c   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.29    16.51    18.07   .   .   .   16   .   N   .   16   .   HN   parsed_1j3c   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.23    -1.52     1.06   .   .   .   17   .   N   .   17   .   HN   parsed_1j3c   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.80     9.59    12.01   .   .   .   18   .   N   .   18   .   HN   parsed_1j3c   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.85    18.90    20.80   .   .   .   19   .   N   .   19   .   HN   parsed_1j3c   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.49     8.07     8.91   .   .   .   20   .   N   .   20   .   HN   parsed_1j3c   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.38     0.15     0.61   .   .   .   21   .   N   .   21   .   HN   parsed_1j3c   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.13    18.95    21.31   .   .   .   22   .   N   .   22   .   HN   parsed_1j3c   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.24     8.22    10.26   .   .   .   23   .   N   .   23   .   HN   parsed_1j3c   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.59   -12.81   -12.37   .   .   .   24   .   N   .   24   .   HN   parsed_1j3c   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.37     0.03     2.71   .   .   .   26   .   N   .   26   .   HN   parsed_1j3c   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.56   -12.68   -10.44   .   .   .   27   .   N   .   27   .   HN   parsed_1j3c   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.03   -16.51   -15.55   .   .   .   28   .   N   .   28   .   HN   parsed_1j3c   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.47    -9.61    -9.33   .   .   .   29   .   N   .   29   .   HN   parsed_1j3c   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.82   -14.54   -13.10   .   .   .   31   .   N   .   31   .   HN   parsed_1j3c   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.28     4.58     5.98   .   .   .   34   .   N   .   34   .   HN   parsed_1j3c   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.15    -1.04     1.34   .   .   .   35   .   N   .   35   .   HN   parsed_1j3c   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.03     1.72     4.34   .   .   .   38   .   N   .   38   .   HN   parsed_1j3c   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.11    -8.62    -7.60   .   .   .   39   .   N   .   39   .   HN   parsed_1j3c   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.82    -8.21    -7.43   .   .   .   40   .   N   .   40   .   HN   parsed_1j3c   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.25    -7.15    -5.35   .   .   .   41   .   N   .   41   .   HN   parsed_1j3c   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.20     0.02     0.38   .   .   .   42   .   N   .   42   .   HN   parsed_1j3c   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.54    -6.51    -4.57   .   .   .   43   .   N   .   43   .   HN   parsed_1j3c   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.81    -9.63    -7.99   .   .   .   44   .   N   .   44   .   HN   parsed_1j3c   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.16    -4.14    -2.18   .   .   .   45   .   N   .   45   .   HN   parsed_1j3c   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.83    -4.36    -3.30   .   .   .   46   .   N   .   46   .   HN   parsed_1j3c   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.98    -8.21    -5.75   .   .   .   47   .   N   .   47   .   HN   parsed_1j3c   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.74    -8.95    -8.53   .   .   .   48   .   N   .   48   .   HN   parsed_1j3c   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.07     2.43     3.71   .   .   .   49   .   N   .   49   .   HN   parsed_1j3c   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.81    -9.36    -8.26   .   .   .   50   .   N   .   50   .   HN   parsed_1j3c   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.03    16.06    18.00   .   .   .   51   .   N   .   51   .   HN   parsed_1j3c   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.68    -8.62    -6.74   .   .   .   53   .   N   .   53   .   HN   parsed_1j3c   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.32     5.30     7.34   .   .   .   54   .   N   .   54   .   HN   parsed_1j3c   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.17     8.10    10.24   .   .   .   55   .   N   .   55   .   HN   parsed_1j3c   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.92   -13.11   -12.73   .   .   .   56   .   N   .   56   .   HN   parsed_1j3c   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.74    -8.14    -7.34   .   .   .   58   .   N   .   58   .   HN   parsed_1j3c   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.48   -16.59   -14.37   .   .   .   59   .   N   .   59   .   HN   parsed_1j3c   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.22   -19.49   -16.95   .   .   .   60   .   N   .   60   .   HN   parsed_1j3c   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.09   -19.69   -18.49   .   .   .   61   .   N   .   61   .   HN   parsed_1j3c   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.49   -12.60   -10.38   .   .   .   62   .   N   .   62   .   HN   parsed_1j3c   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.10   -17.16   -17.04   .   .   .   63   .   N   .   63   .   HN   parsed_1j3c   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.95   -13.74   -12.16   .   .   .   64   .   N   .   64   .   HN   parsed_1j3c   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.41   -16.06   -14.76   .   .   .   65   .   N   .   65   .   HN   parsed_1j3c   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.47   -17.05   -15.89   .   .   .   66   .   N   .   66   .   HN   parsed_1j3c   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.58   -14.74   -12.42   .   .   .   67   .   N   .   67   .   HN   parsed_1j3c   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.41   -17.58   -17.24   .   .   .   68   .   N   .   68   .   HN   parsed_1j3c   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.77   -16.08   -15.46   .   .   .   69   .   N   .   69   .   HN   parsed_1j3c   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -21.50   -22.75   -20.25   .   .   .   70   .   N   .   70   .   HN   parsed_1j3c   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.86   -11.98    -9.74   .   .   .   71   .   N   .   71   .   HN   parsed_1j3c   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -20.14   -21.05   -19.23   .   .   .   72   .   N   .   72   .   HN   parsed_1j3c   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.66   -13.02   -12.30   .   .   .   73   .   N   .   73   .   HN   parsed_1j3c   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.77   -14.31   -13.23   .   .   .   74   .   N   .   74   .   HN   parsed_1j3c   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.87    -8.76    -6.98   .   .   .   76   .   N   .   76   .   HN   parsed_1j3c   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.24    -1.56    -0.92   .   .   .   77   .   N   .   77   .   HN   parsed_1j3c   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.13     2.53     3.73   .   .   .   78   .   N   .   78   .   HN   parsed_1j3c   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.24    -0.80     0.32   .   .   .   79   .   N   .   79   .   HN   parsed_1j3c   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 constant restraints

K3
;
     2   1     5   8   parsed_1j3c   1   
         2    K4     13   1    13   8   parsed_1j3c   1   
         3    D5     21   1    21   8   parsed_1j3c   1   
         4    N7     29   1    29   8   parsed_1j3c   1   
         5    A8     37   1    37   8   parsed_1j3c   1   
         6    K10    45   1    45   8   parsed_1j3c   1   
         7    R11    53   1    53   8   parsed_1j3c   1   
         8    S14    61   1    61   8   parsed_1j3c   1   
         9    A15    69   1    69   8   parsed_1j3c   1   
        10    F16    77   1    77   8   parsed_1j3c   1   
        11    F17    85   1    85   8   parsed_1j3c   1   
        12    L18    93   1    93   8   parsed_1j3c   1   
        13    F19   101   1   101   8   parsed_1j3c   1   
        14    C20   109   1   109   8   parsed_1j3c   1   
        15    S21   117   1   117   8   parsed_1j3c   1   
        16    E22   125   1   125   8   parsed_1j3c   1   
        17    Y23   133   1   133   8   parsed_1j3c   1   
        18    R24   141   1   141   8   parsed_1j3c   1   
        19    K26   149   1   149   8   parsed_1j3c   1   
        20    I27   157   1   157   8   parsed_1j3c   1   
        21    K28   165   1   165   8   parsed_1j3c   1   
        22    S29   173   1   173   8   parsed_1j3c   1   
        23    H31   181   1   181   8   parsed_1j3c   1   
        24    L34   189   1   189   8   parsed_1j3c   1   
        25    S35   197   1   197   8   parsed_1j3c   1   
        26    D38   205   1   205   8   parsed_1j3c   1   
        27    T39   213   1   213   8   parsed_1j3c   1   
        28    A40   221   1   221   8   parsed_1j3c   1   
        29    K41   229   1   229   8   parsed_1j3c   1   
        30    K42   237   1   237   8   parsed_1j3c   1   
        31    L43   245   1   245   8   parsed_1j3c   1   
        32    G44   253   1   253   8   parsed_1j3c   1   
        33    E45   261   1   261   8   parsed_1j3c   1   
        34    M46   269   1   269   8   parsed_1j3c   1   
        35    W47   277   1   277   8   parsed_1j3c   1   
        36    S48   285   1   285   8   parsed_1j3c   1   
        37    E49   293   1   293   8   parsed_1j3c   1   
        38    Q50   301   1   301   8   parsed_1j3c   1   
        39    S51   309   1   309   8   parsed_1j3c   1   
        40    K53   317   1   317   8   parsed_1j3c   1   
        41    D54   325   1   325   8   parsed_1j3c   1   
        42    K55   333   1   333   8   parsed_1j3c   1   
        43    Q56   341   1   341   8   parsed_1j3c   1   
        44    Y58   349   1   349   8   parsed_1j3c   1   
        45    E59   357   1   357   8   parsed_1j3c   1   
        46    Q60   365   1   365   8   parsed_1j3c   1   
        47    K61   373   1   373   8   parsed_1j3c   1   
        48    A62   381   1   381   8   parsed_1j3c   1   
        49    A63   389   1   389   8   parsed_1j3c   1   
        50    K64   397   1   397   8   parsed_1j3c   1   
        51    L65   405   1   405   8   parsed_1j3c   1   
        52    K66   413   1   413   8   parsed_1j3c   1   
        53    E67   421   1   421   8   parsed_1j3c   1   
        54    K68   429   1   429   8   parsed_1j3c   1   
        55    Y69   437   1   437   8   parsed_1j3c   1   
        56    E70   445   1   445   8   parsed_1j3c   1   
        57    K71   453   1   453   8   parsed_1j3c   1   
        58    D72   461   1   461   8   parsed_1j3c   1   
        59    I73   469   1   469   8   parsed_1j3c   1   
        60    A74   477   1   477   8   parsed_1j3c   1   
        61    Y76   485   1   485   8   parsed_1j3c   1   
        62    R77   493   1   493   8   parsed_1j3c   1   
        63    A78   501   1   501   8   parsed_1j3c   1   
        64    K79   509   1   509   8   parsed_1j3c   1   
    stop_

save_





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