NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord in_dress stage program type item_count
31828 1f3y 4448 cing recoord dress 2-parsed STAR dipolar coupling 94


data_1f3y_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1f3y 
    _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_1f3y   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1f3y 
    _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   1f3y   "Master copy"    parsed_1f3y   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1f3y 
    _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   1f3y.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1f3y   1   
        1   1f3y.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             2006   parsed_1f3y   1   
        1   1f3y.mr   .   .    n/a           3    comment                  "Not applicable"    "Not applicable"       0   parsed_1f3y   1   
        1   1f3y.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple               80   parsed_1f3y   1   
        1   1f3y.mr   .   .    n/a           5    comment                  "Not applicable"    "Not applicable"       0   parsed_1f3y   1   
        1   1f3y.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"    "Not applicable"     219   parsed_1f3y   1   
        1   1f3y.mr   .   .    n/a           7    comment                  "Not applicable"    "Not applicable"       0   parsed_1f3y   1   
        1   1f3y.mr   .   .    XPLOR/CNS     8   "dipolar coupling"        "Not applicable"    "Not applicable"      94   parsed_1f3y   1   
        1   1f3y.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1f3y   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_8
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1f3y 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.4735   .   .   .   .   .    14   .   N     .    14   .   HN    parsed_1f3y   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.5695   .   .   .   .   .    16   .   N     .    16   .   HN    parsed_1f3y   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.534    .   .   .   .   .    17   .   N     .    17   .   HN    parsed_1f3y   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.6905   .   .   .   .   .    18   .   N     .    18   .   HN    parsed_1f3y   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.2385   .   .   .   .   .    19   .   N     .    19   .   HN    parsed_1f3y   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3275   .   .   .   .   .    20   .   N     .    20   .   HN    parsed_1f3y   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.3205   .   .   .   .   .    21   .   N     .    21   .   HN    parsed_1f3y   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.694    .   .   .   .   .    22   .   N     .    22   .   HN    parsed_1f3y   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.7545   .   .   .   .   .    24   .   N     .    24   .   HN    parsed_1f3y   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.9895   .   .   .   .   .    25   .   N     .    25   .   HN    parsed_1f3y   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.2385   .   .   .   .   .    26   .   N     .    26   .   HN    parsed_1f3y   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.3025   .   .   .   .   .    28   .   N     .    28   .   HN    parsed_1f3y   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.7225   .   .   .   .   .    29   .   N     .    29   .   HN    parsed_1f3y   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.936    .   .   .   .   .    30   .   N     .    30   .   HN    parsed_1f3y   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.363    .   .   .   .   .    31   .   N     .    31   .   HN    parsed_1f3y   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.872    .   .   .   .   .    33   .   N     .    33   .   HN    parsed_1f3y   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.121    .   .   .   .   .    34   .   N     .    34   .   HN    parsed_1f3y   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.3525   .   .   .   .   .    39   .   N     .    39   .   HN    parsed_1f3y   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.2385   .   .   .   .   .    40   .   N     .    40   .   HN    parsed_1f3y   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.6585   .   .   .   .   .    41   .   N     .    41   .   HN    parsed_1f3y   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.687    .   .   .   .   .    44   .   N     .    44   .   HN    parsed_1f3y   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.8115   .   .   .   .   .    45   .   N     .    45   .   HN    parsed_1f3y   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.993    .   .   .   .   .    46   .   N     .    46   .   HN    parsed_1f3y   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.527    .   .   .   .   .    48   .   N     .    48   .   HN    parsed_1f3y   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.3595   .   .   .   .   .    49   .   N     .    49   .   HN    parsed_1f3y   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.915    .   .   .   .   .    51   .   N     .    51   .   HN    parsed_1f3y   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.3455   .   .   .   .   .    52   .   N     .    52   .   HN    parsed_1f3y   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.623    .   .   .   .   .    54   .   N     .    54   .   HN    parsed_1f3y   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.9325   .   .   .   .   .    55   .   N     .    55   .   HN    parsed_1f3y   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.2315   .   .   .   .   .    56   .   N     .    56   .   HN    parsed_1f3y   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.8365   .   .   .   .   .    58   .   N     .    58   .   HN    parsed_1f3y   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.2635   .   .   .   .   .    59   .   N     .    59   .   HN    parsed_1f3y   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.776    .   .   .   .   .    60   .   N     .    60   .   HN    parsed_1f3y   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.9895   .   .   .   .   .    61   .   N     .    61   .   HN    parsed_1f3y   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.0145   .   .   .   .   .    62   .   N     .    62   .   HN    parsed_1f3y   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.687    .   .   .   .   .    63   .   N     .    63   .   HN    parsed_1f3y   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.872    .   .   .   .   .    64   .   N     .    64   .   HN    parsed_1f3y   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.057    .   .   .   .   .    65   .   N     .    65   .   HN    parsed_1f3y   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.477    .   .   .   .   .    66   .   N     .    66   .   HN    parsed_1f3y   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.819    .   .   .   .   .    67   .   N     .    67   .   HN    parsed_1f3y   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.203    .   .   .   .   .    68   .   N     .    68   .   HN    parsed_1f3y   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.2635   .   .   .   .   .    69   .   N     .    69   .   HN    parsed_1f3y   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.2565   .   .   .   .   .    70   .   N     .    70   .   HN    parsed_1f3y   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.0      .   .   .   .   .    72   .   N     .    72   .   HN    parsed_1f3y   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.865    .   .   .   .   .    73   .   N     .    73   .   HN    parsed_1f3y   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.719    .   .   .   .   .    74   .   N     .    74   .   HN    parsed_1f3y   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.3845   .   .   .   .   .    75   .   N     .    75   .   HN    parsed_1f3y   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.719    .   .   .   .   .    76   .   N     .    76   .   HN    parsed_1f3y   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.3205   .   .   .   .   .    78   .   N     .    78   .   HN    parsed_1f3y   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.6335   .   .   .   .   .    79   .   N     .    79   .   HN    parsed_1f3y   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.0855   .   .   .   .   .    81   .   N     .    81   .   HN    parsed_1f3y   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.0785   .   .   .   .   .   101   .   N     .   101   .   HN    parsed_1f3y   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.0285   .   .   .   .   .   102   .   N     .   102   .   HN    parsed_1f3y   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.8615   .   .   .   .   .   104   .   N     .   104   .   HN    parsed_1f3y   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.388    .   .   .   .   .   105   .   N     .   105   .   HN    parsed_1f3y   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.0465   .   .   .   .   .   106   .   N     .   106   .   HN    parsed_1f3y   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.573    .   .   .   .   .   107   .   N     .   107   .   HN    parsed_1f3y   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.5695   .   .   .   .   .   109   .   N     .   109   .   HN    parsed_1f3y   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.0215   .   .   .   .   .   110   .   N     .   110   .   HN    parsed_1f3y   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.0855   .   .   .   .   .   111   .   N     .   111   .   HN    parsed_1f3y   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.573    .   .   .   .   .   112   .   N     .   112   .   HN    parsed_1f3y   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.3775   .   .   .   .   .   115   .   N     .   115   .   HN    parsed_1f3y   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.954    .   .   .   .   .   116   .   N     .   116   .   HN    parsed_1f3y   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.292    .   .   .   .   .   120   .   N     .   120   .   HN    parsed_1f3y   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.363    .   .   .   .   .   128   .   N     .   128   .   HN    parsed_1f3y   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.4025   .   .   .   .   .   131   .   N     .   131   .   HN    parsed_1f3y   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.413    .   .   .   .   .   132   .   N     .   132   .   HN    parsed_1f3y   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.993    .   .   .   .   .   133   .   N     .   133   .   HN    parsed_1f3y   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.3595   .   .   .   .   .   134   .   N     .   134   .   HN    parsed_1f3y   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.6585   .   .   .   .   .   135   .   N     .   135   .   HN    parsed_1f3y   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.3205   .   .   .   .   .   136   .   N     .   136   .   HN    parsed_1f3y   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.342    .   .   .   .   .   137   .   N     .   137   .   HN    parsed_1f3y   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.121    .   .   .   .   .   138   .   N     .   138   .   HN    parsed_1f3y   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.4735   .   .   .   .   .   140   .   N     .   140   .   HN    parsed_1f3y   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.3775   .   .   .   .   .   142   .   N     .   142   .   HN    parsed_1f3y   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.8115   .   .   .   .   .   143   .   N     .   143   .   HN    parsed_1f3y   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.1035   .   .   .   .   .   145   .   N     .   145   .   HN    parsed_1f3y   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.5375   .   .   .   .   .   146   .   N     .   146   .   HN    parsed_1f3y   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.1175   .   .   .   .   .   147   .   N     .   147   .   HN    parsed_1f3y   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.0      .   .   .   .   .   148   .   N     .   148   .   HN    parsed_1f3y   1   
        81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.146    .   .   .   .   .   149   .   N     .   149   .   HN    parsed_1f3y   1   
        82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.3135   .   .   .   .   .   151   .   N     .   151   .   HN    parsed_1f3y   1   
        83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.847    .   .   .   .   .   153   .   N     .   153   .   HN    parsed_1f3y   1   
        84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.3915   .   .   .   .   .   154   .   N     .   154   .   HN    parsed_1f3y   1   
        85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.1175   .   .   .   .   .   156   .   N     .   156   .   HN    parsed_1f3y   1   
        86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.993    .   .   .   .   .   157   .   N     .   157   .   HN    parsed_1f3y   1   
        87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.9255   .   .   .   .   .   158   .   N     .   158   .   HN    parsed_1f3y   1   
        88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.8045   .   .   .   .   .   159   .   N     .   159   .   HN    parsed_1f3y   1   
        89   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.299    .   .   .   .   .   160   .   N     .   160   .   HN    parsed_1f3y   1   
        90   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.139    .   .   .   .   .   161   .   N     .   161   .   HN    parsed_1f3y   1   
        91   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.0215   .   .   .   .   .   165   .   N     .   165   .   HN    parsed_1f3y   1   
        92   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.65     .   .   .   .   .    40   .   NE1   .    40   .   HE1   parsed_1f3y   1   
        93   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.77     .   .   .   .   .    79   .   NE1   .    79   .   HE1   parsed_1f3y   1   
        94   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.01     .   .   .   .   .   134   .   NE1   .   134   .   HE1   parsed_1f3y   1   
    stop_

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