NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type item_count
515566 1lud 5396 cing 2-parsed STAR dipolar coupling 88


data_1lud_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1lud 
    _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_1lud   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1lud 
    _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   1lud   "Master copy"    parsed_1lud   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1lud 
    _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   1lud.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"       0   parsed_1lud   1   
        1   1lud.mr   .   .    XPLOR/CNS      2    distance                  NOE                 simple             2445   parsed_1lud   1   
        1   1lud.mr   .   .    XPLOR/CNS      3    distance                  NOE                 ambi                 85   parsed_1lud   1   
        1   1lud.mr   .   .    XPLOR/CNS      4    distance                 "hydrogen bond"      simple              132   parsed_1lud   1   
        1   1lud.mr   .   .    XPLOR/CNS      5    distance                 "hydrogen bond"      ambi                 64   parsed_1lud   1   
        1   1lud.mr   .   .    XPLOR/CNS      6   "dihedral angle"          "Not applicable"    "Not applicable"     345   parsed_1lud   1   
        1   1lud.mr   .   .    XPLOR/CNS      7   "dipolar coupling"        "Not applicable"    "Not applicable"     141   parsed_1lud   1   
        1   1lud.mr   .   .    XPLOR/CNS      8   "dipolar coupling"        "Not applicable"    "Not applicable"      88   parsed_1lud   1   
        1   1lud.mr   .   .    XPLOR/CNS      9   "coupling constant"       "Not applicable"    "Not applicable"       0   parsed_1lud   1   
        1   1lud.mr   .   .    XPLOR/CNS     10   "chemical shift"          "Not applicable"    "Not applicable"       0   parsed_1lud   1   
        1   1lud.mr   .   .   "MR format"    11   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1lud   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_8
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1lud 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            8 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.73   .   .   .   .   .     3   .   N   .     3   .   HN   parsed_1lud   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.87   .   .   .   .   .     4   .   N   .     4   .   HN   parsed_1lud   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.87   .   .   .   .   .     8   .   N   .     8   .   HN   parsed_1lud   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.80   .   .   .   .   .     9   .   N   .     9   .   HN   parsed_1lud   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.12   .   .   .   .   .    10   .   N   .    10   .   HN   parsed_1lud   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.27   .   .   .   .   .    11   .   N   .    11   .   HN   parsed_1lud   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.05   .   .   .   .   .    15   .   N   .    15   .   HN   parsed_1lud   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.41   .   .   .   .   .    16   .   N   .    16   .   HN   parsed_1lud   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.56   .   .   .   .   .    17   .   N   .    17   .   HN   parsed_1lud   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.20   .   .   .   .   .    21   .   N   .    21   .   HN   parsed_1lud   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.10   .   .   .   .   .    29   .   N   .    29   .   HN   parsed_1lud   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.65   .   .   .   .   .    30   .   N   .    30   .   HN   parsed_1lud   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.48   .   .   .   .   .    31   .   N   .    31   .   HN   parsed_1lud   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.26   .   .   .   .   .    33   .   N   .    33   .   HN   parsed_1lud   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.61   .   .   .   .   .    34   .   N   .    34   .   HN   parsed_1lud   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.77   .   .   .   .   .    36   .   N   .    36   .   HN   parsed_1lud   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.75   .   .   .   .   .    44   .   N   .    44   .   HN   parsed_1lud   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.77   .   .   .   .   .    49   .   N   .    49   .   HN   parsed_1lud   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.39   .   .   .   .   .    52   .   N   .    52   .   HN   parsed_1lud   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.98   .   .   .   .   .    54   .   N   .    54   .   HN   parsed_1lud   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.22   .   .   .   .   .    57   .   N   .    57   .   HN   parsed_1lud   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.52   .   .   .   .   .    60   .   N   .    60   .   HN   parsed_1lud   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.23   .   .   .   .   .    61   .   N   .    61   .   HN   parsed_1lud   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.42   .   .   .   .   .    63   .   N   .    63   .   HN   parsed_1lud   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.55   .   .   .   .   .    65   .   N   .    65   .   HN   parsed_1lud   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.57   .   .   .   .   .    68   .   N   .    68   .   HN   parsed_1lud   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.05   .   .   .   .   .    69   .   N   .    69   .   HN   parsed_1lud   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.52   .   .   .   .   .    73   .   N   .    73   .   HN   parsed_1lud   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.32   .   .   .   .   .    74   .   N   .    74   .   HN   parsed_1lud   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.66   .   .   .   .   .    75   .   N   .    75   .   HN   parsed_1lud   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.20   .   .   .   .   .    76   .   N   .    76   .   HN   parsed_1lud   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.10   .   .   .   .   .    78   .   N   .    78   .   HN   parsed_1lud   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.72   .   .   .   .   .    79   .   N   .    79   .   HN   parsed_1lud   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.57   .   .   .   .   .    80   .   N   .    80   .   HN   parsed_1lud   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.06   .   .   .   .   .    81   .   N   .    81   .   HN   parsed_1lud   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.39   .   .   .   .   .    82   .   N   .    82   .   HN   parsed_1lud   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.66   .   .   .   .   .    86   .   N   .    86   .   HN   parsed_1lud   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.02   .   .   .   .   .    87   .   N   .    87   .   HN   parsed_1lud   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.28   .   .   .   .   .    88   .   N   .    88   .   HN   parsed_1lud   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.67   .   .   .   .   .    91   .   N   .    91   .   HN   parsed_1lud   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.36   .   .   .   .   .    92   .   N   .    92   .   HN   parsed_1lud   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.01   .   .   .   .   .    94   .   N   .    94   .   HN   parsed_1lud   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.66   .   .   .   .   .    97   .   N   .    97   .   HN   parsed_1lud   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.06   .   .   .   .   .   102   .   N   .   102   .   HN   parsed_1lud   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.74   .   .   .   .   .   103   .   N   .   103   .   HN   parsed_1lud   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.70   .   .   .   .   .   104   .   N   .   104   .   HN   parsed_1lud   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.49   .   .   .   .   .   105   .   N   .   105   .   HN   parsed_1lud   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.01   .   .   .   .   .   107   .   N   .   107   .   HN   parsed_1lud   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.39   .   .   .   .   .   108   .   N   .   108   .   HN   parsed_1lud   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.93   .   .   .   .   .   109   .   N   .   109   .   HN   parsed_1lud   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.84   .   .   .   .   .   112   .   N   .   112   .   HN   parsed_1lud   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.50   .   .   .   .   .   114   .   N   .   114   .   HN   parsed_1lud   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.54   .   .   .   .   .   115   .   N   .   115   .   HN   parsed_1lud   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.26   .   .   .   .   .   118   .   N   .   118   .   HN   parsed_1lud   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.41   .   .   .   .   .   119   .   N   .   119   .   HN   parsed_1lud   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.15   .   .   .   .   .   120   .   N   .   120   .   HN   parsed_1lud   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.63   .   .   .   .   .   121   .   N   .   121   .   HN   parsed_1lud   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.13   .   .   .   .   .   122   .   N   .   122   .   HN   parsed_1lud   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.70   .   .   .   .   .   124   .   N   .   124   .   HN   parsed_1lud   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.06   .   .   .   .   .   125   .   N   .   125   .   HN   parsed_1lud   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.48   .   .   .   .   .   126   .   N   .   126   .   HN   parsed_1lud   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.29   .   .   .   .   .   127   .   N   .   127   .   HN   parsed_1lud   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.93   .   .   .   .   .   128   .   N   .   128   .   HN   parsed_1lud   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.80   .   .   .   .   .   129   .   N   .   129   .   HN   parsed_1lud   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.40   .   .   .   .   .   131   .   N   .   131   .   HN   parsed_1lud   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.07   .   .   .   .   .   132   .   N   .   132   .   HN   parsed_1lud   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.93   .   .   .   .   .   133   .   N   .   133   .   HN   parsed_1lud   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.45   .   .   .   .   .   135   .   N   .   135   .   HN   parsed_1lud   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.92   .   .   .   .   .   136   .   N   .   136   .   HN   parsed_1lud   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.37   .   .   .   .   .   137   .   N   .   137   .   HN   parsed_1lud   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.34   .   .   .   .   .   138   .   N   .   138   .   HN   parsed_1lud   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.96   .   .   .   .   .   140   .   N   .   140   .   HN   parsed_1lud   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.76   .   .   .   .   .   142   .   N   .   142   .   HN   parsed_1lud   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.18   .   .   .   .   .   143   .   N   .   143   .   HN   parsed_1lud   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.31   .   .   .   .   .   144   .   N   .   144   .   HN   parsed_1lud   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.12   .   .   .   .   .   146   .   N   .   146   .   HN   parsed_1lud   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.90   .   .   .   .   .   147   .   N   .   147   .   HN   parsed_1lud   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.58   .   .   .   .   .   148   .   N   .   148   .   HN   parsed_1lud   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.35   .   .   .   .   .   151   .   N   .   151   .   HN   parsed_1lud   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.20   .   .   .   .   .   152   .   N   .   152   .   HN   parsed_1lud   1   
        81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.25   .   .   .   .   .   153   .   N   .   153   .   HN   parsed_1lud   1   
        82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.24   .   .   .   .   .   155   .   N   .   155   .   HN   parsed_1lud   1   
        83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.32   .   .   .   .   .   156   .   N   .   156   .   HN   parsed_1lud   1   
        84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.30   .   .   .   .   .   157   .   N   .   157   .   HN   parsed_1lud   1   
        85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.28   .   .   .   .   .   158   .   N   .   158   .   HN   parsed_1lud   1   
        86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.07   .   .   .   .   .   159   .   N   .   159   .   HN   parsed_1lud   1   
        87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.00   .   .   .   .   .   160   .   N   .   160   .   HN   parsed_1lud   1   
        88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.13   .   .   .   .   .   162   .   N   .   162   .   HN   parsed_1lud   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   "Residual dipolar couplings measured in 5% solution of C12E5 in hehanol"    1   1   2   73   parsed_1lud   1   
    stop_

save_





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