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
33872 1j3d cing 2-parsed STAR dipolar coupling 60


data_1j3d_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1j3d 
    _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_1j3d   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1j3d 
    _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   1j3d   "Master copy"    parsed_1j3d   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1j3d 
    _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   1j3d.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1j3d   1   
        1   1j3d.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1899   parsed_1j3d   1   
        1   1j3d.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"      65   parsed_1j3d   1   
        1   1j3d.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"      60   parsed_1j3d   1   
        1   1j3d.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1j3d   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_4
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1j3d 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -20.06   -21.02   -19.10   .   .   .    6   .   N   .    6   .   HN   parsed_1j3d   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.39    -3.61    -3.17   .   .   .    7   .   N   .    7   .   HN   parsed_1j3d   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.48    18.65    20.31   .   .   .    9   .   N   .    9   .   HN   parsed_1j3d   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.17    -6.60    -3.74   .   .   .   10   .   N   .   10   .   HN   parsed_1j3d   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.34    -8.77    -5.91   .   .   .   13   .   N   .   13   .   HN   parsed_1j3d   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.59    17.50    19.68   .   .   .   14   .   N   .   14   .   HN   parsed_1j3d   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.29    15.87    18.71   .   .   .   15   .   N   .   15   .   HN   parsed_1j3d   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.35    10.08    12.62   .   .   .   17   .   N   .   17   .   HN   parsed_1j3d   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.13    -4.16    -2.10   .   .   .   18   .   N   .   18   .   HN   parsed_1j3d   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.03     7.51     8.55   .   .   .   19   .   N   .   19   .   HN   parsed_1j3d   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.52    -3.66    -1.38   .   .   .   20   .   N   .   20   .   HN   parsed_1j3d   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.12    19.53    20.71   .   .   .   21   .   N   .   21   .   HN   parsed_1j3d   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.55    13.31    13.79   .   .   .   22   .   N   .   22   .   HN   parsed_1j3d   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.18   -18.97   -13.39   .   .   .   23   .   N   .   23   .   HN   parsed_1j3d   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.56    -2.54    -0.58   .   .   .   25   .   N   .   25   .   HN   parsed_1j3d   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.77   -15.92   -15.62   .   .   .   27   .   N   .   27   .   HN   parsed_1j3d   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.66   -12.04   -11.28   .   .   .   28   .   N   .   28   .   HN   parsed_1j3d   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.57   -19.74   -15.40   .   .   .   29   .   N   .   29   .   HN   parsed_1j3d   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.86    -3.11    -2.61   .   .   .   30   .   N   .   30   .   HN   parsed_1j3d   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.08     9.47    10.69   .   .   .   33   .   N   .   33   .   HN   parsed_1j3d   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.07    -2.63    -1.51   .   .   .   34   .   N   .   34   .   HN   parsed_1j3d   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.66    -1.50     0.18   .   .   .   37   .   N   .   37   .   HN   parsed_1j3d   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.18    -5.12    -3.24   .   .   .   38   .   N   .   38   .   HN   parsed_1j3d   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.95    -7.94    -5.96   .   .   .   39   .   N   .   39   .   HN   parsed_1j3d   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.13    -6.47    -5.79   .   .   .   40   .   N   .   40   .   HN   parsed_1j3d   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.55     0.17     0.93   .   .   .   41   .   N   .   41   .   HN   parsed_1j3d   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.62    -5.05    -4.19   .   .   .   42   .   N   .   42   .   HN   parsed_1j3d   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.58    -9.24    -5.92   .   .   .   43   .   N   .   43   .   HN   parsed_1j3d   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.51    -2.87    -2.15   .   .   .   44   .   N   .   44   .   HN   parsed_1j3d   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.16    -4.85    -3.47   .   .   .   45   .   N   .   45   .   HN   parsed_1j3d   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.60    -7.55    -5.65   .   .   .   46   .   N   .   46   .   HN   parsed_1j3d   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.09    -8.49    -7.69   .   .   .   47   .   N   .   47   .   HN   parsed_1j3d   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.07     5.01     7.13   .   .   .   48   .   N   .   48   .   HN   parsed_1j3d   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.47    -9.11    -5.83   .   .   .   49   .   N   .   49   .   HN   parsed_1j3d   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.85    17.90    19.80   .   .   .   50   .   N   .   50   .   HN   parsed_1j3d   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.96   -11.63    -8.29   .   .   .   52   .   N   .   52   .   HN   parsed_1j3d   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.74     7.27     8.21   .   .   .   53   .   N   .   53   .   HN   parsed_1j3d   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.01    11.93    14.09   .   .   .   54   .   N   .   54   .   HN   parsed_1j3d   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.48   -15.46   -11.50   .   .   .   55   .   N   .   55   .   HN   parsed_1j3d   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.20    -9.40    -7.00   .   .   .   57   .   N   .   57   .   HN   parsed_1j3d   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.00   -17.61   -16.39   .   .   .   58   .   N   .   58   .   HN   parsed_1j3d   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.95   -17.11   -16.79   .   .   .   59   .   N   .   59   .   HN   parsed_1j3d   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.56   -20.59   -18.53   .   .   .   60   .   N   .   60   .   HN   parsed_1j3d   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.33   -15.20   -13.46   .   .   .   61   .   N   .   61   .   HN   parsed_1j3d   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.01   -17.88   -16.14   .   .   .   62   .   N   .   62   .   HN   parsed_1j3d   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.87   -13.48   -12.26   .   .   .   63   .   N   .   63   .   HN   parsed_1j3d   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.77   -22.20   -17.34   .   .   .   64   .   N   .   64   .   HN   parsed_1j3d   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.46   -18.84   -14.08   .   .   .   65   .   N   .   65   .   HN   parsed_1j3d   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.40   -18.88   -15.92   .   .   .   66   .   N   .   66   .   HN   parsed_1j3d   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.22   -17.68   -16.76   .   .   .   68   .   N   .   68   .   HN   parsed_1j3d   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.03   -16.87   -15.19   .   .   .   69   .   N   .   69   .   HN   parsed_1j3d   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.21   -16.44   -13.98   .   .   .   70   .   N   .   70   .   HN   parsed_1j3d   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -20.07   -20.29   -19.85   .   .   .   71   .   N   .   71   .   HN   parsed_1j3d   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.16   -17.06   -13.26   .   .   .   72   .   N   .   72   .   HN   parsed_1j3d   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.72   -11.93   -11.51   .   .   .   73   .   N   .   73   .   HN   parsed_1j3d   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.98   -15.49   -14.47   .   .   .   74   .   N   .   74   .   HN   parsed_1j3d   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.19   -11.84    -8.54   .   .   .   75   .   N   .   75   .   HN   parsed_1j3d   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.36     0.13     0.59   .   .   .   76   .   N   .   76   .   HN   parsed_1j3d   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.15     1.83     2.47   .   .   .   77   .   N   .   77   .   HN   parsed_1j3d   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.78    -1.10    -0.46   .   .   .   78   .   N   .   78   .   HN   parsed_1j3d   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


1JNH derived restraints :    61

N6
;
     2   1     8   8   parsed_1j3d   1   
         2    A7     16   1    16   8   parsed_1j3d   1   
         3    K9     24   1    24   8   parsed_1j3d   1   
         4    R10    32   1    32   8   parsed_1j3d   1   
         5    S13    40   1    40   8   parsed_1j3d   1   
         6    A14    48   1    48   8   parsed_1j3d   1   
         7    F15    56   1    56   8   parsed_1j3d   1   
         8    L17    64   1    64   8   parsed_1j3d   1   
         9    F18    72   1    72   8   parsed_1j3d   1   
        10    C19    80   1    80   8   parsed_1j3d   1   
        11    S20    88   1    88   8   parsed_1j3d   1   
        12    E21    96   1    96   8   parsed_1j3d   1   
        13    H22   104   1   104   8   parsed_1j3d   1   
        14    R23   112   1   112   8   parsed_1j3d   1   
        15    K25   120   1   120   8   parsed_1j3d   1   
        16    K27   128   1   128   8   parsed_1j3d   1   
        17    S28   136   1   136   8   parsed_1j3d   1   
        18    E29   144   1   144   8   parsed_1j3d   1   
        19    H30   152   1   152   8   parsed_1j3d   1   
        20    L33   160   1   160   8   parsed_1j3d   1   
        21    S34   168   1   168   8   parsed_1j3d   1   
        22    D37   176   1   176   8   parsed_1j3d   1   
        23    T38   184   1   184   8   parsed_1j3d   1   
        24    A39   192   1   192   8   parsed_1j3d   1   
        25    K40   200   1   200   8   parsed_1j3d   1   
        26    K41   208   1   208   8   parsed_1j3d   1   
        27    L42   216   1   216   8   parsed_1j3d   1   
        28    G43   224   1   224   8   parsed_1j3d   1   
        29    E44   232   1   232   8   parsed_1j3d   1   
        30    M45   240   1   240   8   parsed_1j3d   1   
        31    W46   248   1   248   8   parsed_1j3d   1   
        32    S47   256   1   256   8   parsed_1j3d   1   
        33    E48   264   1   264   8   parsed_1j3d   1   
        34    Q49   272   1   272   8   parsed_1j3d   1   
        35    S50   280   1   280   8   parsed_1j3d   1   
        36    K52   288   1   288   8   parsed_1j3d   1   
        37    D53   296   1   296   8   parsed_1j3d   1   
        38    K54   304   1   304   8   parsed_1j3d   1   
        39    Q55   312   1   312   8   parsed_1j3d   1   
        40    Y57   320   1   320   8   parsed_1j3d   1   
        41    E58   328   1   328   8   parsed_1j3d   1   
        42    Q59   336   1   336   8   parsed_1j3d   1   
        43    K60   344   1   344   8   parsed_1j3d   1   
        44    A61   352   1   352   8   parsed_1j3d   1   
        45    A62   360   1   360   8   parsed_1j3d   1   
        46    K63   368   1   368   8   parsed_1j3d   1   
        47    L64   376   1   376   8   parsed_1j3d   1   
        48    K65   384   1   384   8   parsed_1j3d   1   
        49    E66   392   1   392   8   parsed_1j3d   1   
        50    Y68   400   1   400   8   parsed_1j3d   1   
        51    E69   408   1   408   8   parsed_1j3d   1   
        52    K70   416   1   416   8   parsed_1j3d   1   
        53    D71   424   1   424   8   parsed_1j3d   1   
        54    I72   432   1   432   8   parsed_1j3d   1   
        55    A73   440   1   440   8   parsed_1j3d   1   
        56    A74   448   1   448   8   parsed_1j3d   1   
        57    Y75   456   1   456   8   parsed_1j3d   1   
        58    R76   464   1   464   8   parsed_1j3d   1   
        59    A77   472   1   472   8   parsed_1j3d   1   
        60    K78   480   1   480   8   parsed_1j3d   1   
    stop_

save_





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