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
41829 1xfq 6322 cing 2-parsed STAR dihedral angle 92


data_1xfq_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1xfq 
    _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_1xfq   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1xfq 
    _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   1xfq   "Master copy"    parsed_1xfq   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1xfq 
    _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   1xfq.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1xfq   1   
        1   1xfq.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               1293   parsed_1xfq   1   
        1   1xfq.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"      92   parsed_1xfq   1   
        1   1xfq.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1xfq   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1xfq 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            3 
    _Torsion_angle_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Torsion_angle_constraint.ID 
        _Torsion_angle_constraint.Torsion_angle_name 
        _Torsion_angle_constraint.Assembly_atom_ID_1 
        _Torsion_angle_constraint.Entity_assembly_ID_1 
        _Torsion_angle_constraint.Entity_ID_1 
        _Torsion_angle_constraint.Comp_index_ID_1 
        _Torsion_angle_constraint.Seq_ID_1 
        _Torsion_angle_constraint.Comp_ID_1 
        _Torsion_angle_constraint.Atom_ID_1 
        _Torsion_angle_constraint.Resonance_ID_1 
        _Torsion_angle_constraint.Assembly_atom_ID_2 
        _Torsion_angle_constraint.Entity_assembly_ID_2 
        _Torsion_angle_constraint.Entity_ID_2 
        _Torsion_angle_constraint.Comp_index_ID_2 
        _Torsion_angle_constraint.Seq_ID_2 
        _Torsion_angle_constraint.Comp_ID_2 
        _Torsion_angle_constraint.Atom_ID_2 
        _Torsion_angle_constraint.Resonance_ID_2 
        _Torsion_angle_constraint.Assembly_atom_ID_3 
        _Torsion_angle_constraint.Entity_assembly_ID_3 
        _Torsion_angle_constraint.Entity_ID_3 
        _Torsion_angle_constraint.Comp_index_ID_3 
        _Torsion_angle_constraint.Seq_ID_3 
        _Torsion_angle_constraint.Comp_ID_3 
        _Torsion_angle_constraint.Atom_ID_3 
        _Torsion_angle_constraint.Resonance_ID_3 
        _Torsion_angle_constraint.Assembly_atom_ID_4 
        _Torsion_angle_constraint.Entity_assembly_ID_4 
        _Torsion_angle_constraint.Entity_ID_4 
        _Torsion_angle_constraint.Comp_index_ID_4 
        _Torsion_angle_constraint.Seq_ID_4 
        _Torsion_angle_constraint.Comp_ID_4 
        _Torsion_angle_constraint.Atom_ID_4 
        _Torsion_angle_constraint.Resonance_ID_4 
        _Torsion_angle_constraint.Angle_lower_bound_val 
        _Torsion_angle_constraint.Angle_upper_bound_val 
        _Torsion_angle_constraint.Source_experiment_ID 
        _Torsion_angle_constraint.Auth_asym_ID_1 
        _Torsion_angle_constraint.Auth_seq_ID_1 
        _Torsion_angle_constraint.Auth_comp_ID_1 
        _Torsion_angle_constraint.Auth_atom_ID_1 
        _Torsion_angle_constraint.Auth_asym_ID_2 
        _Torsion_angle_constraint.Auth_seq_ID_2 
        _Torsion_angle_constraint.Auth_comp_ID_2 
        _Torsion_angle_constraint.Auth_atom_ID_2 
        _Torsion_angle_constraint.Auth_asym_ID_3 
        _Torsion_angle_constraint.Auth_seq_ID_3 
        _Torsion_angle_constraint.Auth_comp_ID_3 
        _Torsion_angle_constraint.Auth_atom_ID_3 
        _Torsion_angle_constraint.Auth_asym_ID_4 
        _Torsion_angle_constraint.Auth_seq_ID_4 
        _Torsion_angle_constraint.Auth_comp_ID_4 
        _Torsion_angle_constraint.Auth_atom_ID_4 
        _Torsion_angle_constraint.Entry_ID 
        _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 

         1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -167    -71   .   .    29   .   C   .    30   .   N    .    30   .   CA   .    30   .   C   parsed_1xfq   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138    -82   .   .    30   .   C   .    31   .   N    .    31   .   CA   .    31   .   C   parsed_1xfq   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150    -54   .   .    31   .   C   .    32   .   N    .    32   .   CA   .    32   .   C   parsed_1xfq   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153    -73   .   .    32   .   C   .    33   .   N    .    33   .   CA   .    33   .   C   parsed_1xfq   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -147    -71   .   .    33   .   C   .    34   .   N    .    34   .   CA   .    34   .   C   parsed_1xfq   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -159    -55   .   .    37   .   C   .    38   .   N    .    38   .   CA   .    38   .   C   parsed_1xfq   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -139    -71   .   .    38   .   C   .    39   .   N    .    39   .   CA   .    39   .   C   parsed_1xfq   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -142    -86   .   .    41   .   C   .    42   .   N    .    42   .   CA   .    42   .   C   parsed_1xfq   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145    -57   .   .    42   .   C   .    43   .   N    .    43   .   CA   .    43   .   C   parsed_1xfq   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -151    -59   .   .    44   .   C   .    45   .   N    .    45   .   CA   .    45   .   C   parsed_1xfq   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -152    -76   .   .    47   .   C   .    48   .   N    .    48   .   CA   .    48   .   C   parsed_1xfq   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -167    -67   .   .    51   .   C   .    52   .   N    .    52   .   CA   .    52   .   C   parsed_1xfq   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -162    -50   .   .    52   .   C   .    53   .   N    .    53   .   CA   .    53   .   C   parsed_1xfq   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -182    -70   .   .    59   .   C   .    60   .   N    .    60   .   CA   .    60   .   C   parsed_1xfq   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -175    -27   .   .    60   .   C   .    61   .   N    .    61   .   CA   .    61   .   C   parsed_1xfq   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86    -46   .   .    78   .   C   .    79   .   N    .    79   .   CA   .    79   .   C   parsed_1xfq   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -81    -41   .   .    79   .   C   .    80   .   N    .    80   .   CA   .    80   .   C   parsed_1xfq   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -89    -49   .   .    80   .   C   .    81   .   N    .    81   .   CA   .    81   .   C   parsed_1xfq   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -88    -48   .   .    81   .   C   .    82   .   N    .    82   .   CA   .    82   .   C   parsed_1xfq   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -80    -40   .   .    82   .   C   .    83   .   N    .    83   .   CA   .    83   .   C   parsed_1xfq   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -89    -49   .   .    83   .   C   .    84   .   N    .    84   .   CA   .    84   .   C   parsed_1xfq   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -143    -43   .   .    88   .   C   .    89   .   N    .    89   .   CA   .    89   .   C   parsed_1xfq   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153    -69   .   .    90   .   C   .    91   .   N    .    91   .   CA   .    91   .   C   parsed_1xfq   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -168    -76   .   .    91   .   C   .    92   .   N    .    92   .   CA   .    92   .   C   parsed_1xfq   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145    -93   .   .    92   .   C   .    93   .   N    .    93   .   CA   .    93   .   C   parsed_1xfq   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150   -110   .   .    93   .   C   .    94   .   N    .    94   .   CA   .    94   .   C   parsed_1xfq   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125    -61   .   .    94   .   C   .    95   .   N    .    95   .   CA   .    95   .   C   parsed_1xfq   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145    -81   .   .   100   .   C   .   101   .   N    .   101   .   CA   .   101   .   C   parsed_1xfq   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145    -53   .   .   102   .   C   .   103   .   N    .   103   .   CA   .   103   .   C   parsed_1xfq   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -141    -61   .   .   103   .   C   .   104   .   N    .   104   .   CA   .   104   .   C   parsed_1xfq   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -162    -98   .   .   104   .   C   .   105   .   N    .   105   .   CA   .   105   .   C   parsed_1xfq   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -151    -71   .   .   105   .   C   .   106   .   N    .   106   .   CA   .   106   .   C   parsed_1xfq   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -147    -75   .   .   106   .   C   .   107   .   N    .   107   .   CA   .   107   .   C   parsed_1xfq   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155    -87   .   .   107   .   C   .   108   .   N    .   108   .   CA   .   108   .   C   parsed_1xfq   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -168    -68   .   .   108   .   C   .   109   .   N    .   109   .   CA   .   109   .   C   parsed_1xfq   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -152   -104   .   .   109   .   C   .   110   .   N    .   110   .   CA   .   110   .   C   parsed_1xfq   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170    -62   .   .   110   .   C   .   111   .   N    .   111   .   CA   .   111   .   C   parsed_1xfq   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -152    -32   .   .   111   .   C   .   112   .   N    .   112   .   CA   .   112   .   C   parsed_1xfq   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -112    -64   .   .   112   .   C   .   113   .   N    .   113   .   CA   .   113   .   C   parsed_1xfq   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -163    -71   .   .   117   .   C   .   118   .   N    .   118   .   CA   .   118   .   C   parsed_1xfq   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -162    -74   .   .   118   .   C   .   119   .   N    .   119   .   CA   .   119   .   C   parsed_1xfq   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -139    -79   .   .   119   .   C   .   120   .   N    .   120   .   CA   .   120   .   C   parsed_1xfq   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125    -85   .   .   120   .   C   .   121   .   N    .   121   .   CA   .   121   .   C   parsed_1xfq   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -151    -87   .   .   121   .   C   .   122   .   N    .   122   .   CA   .   122   .   C   parsed_1xfq   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -158    -90   .   .   122   .   C   .   123   .   N    .   123   .   CA   .   123   .   C   parsed_1xfq   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -143    -55   .   .   123   .   C   .   124   .   N    .   124   .   CA   .   124   .   C   parsed_1xfq   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    103    167   .   .    30   .   N   .    30   .   CA   .    30   .   C    .    31   .   N   parsed_1xfq   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     94    138   .   .    31   .   N   .    31   .   CA   .    31   .   C    .    32   .   N   parsed_1xfq   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     94    154   .   .    32   .   N   .    32   .   CA   .    32   .   C    .    33   .   N   parsed_1xfq   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111    167   .   .    33   .   N   .    33   .   CA   .    33   .   C    .    34   .   N   parsed_1xfq   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109    189   .   .    34   .   N   .    34   .   CA   .    34   .   C    .    35   .   N   parsed_1xfq   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    107    159   .   .    38   .   N   .    38   .   CA   .    38   .   C    .    39   .   N   parsed_1xfq   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     66    186   .   .    39   .   N   .    39   .   CA   .    39   .   C    .    40   .   N   parsed_1xfq   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     91    155   .   .    42   .   N   .    42   .   CA   .    42   .   C    .    43   .   N   parsed_1xfq   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     94    162   .   .    43   .   N   .    43   .   CA   .    43   .   C    .    44   .   N   parsed_1xfq   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     92    148   .   .    45   .   N   .    45   .   CA   .    45   .   C    .    46   .   N   parsed_1xfq   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     80    160   .   .    48   .   N   .    48   .   CA   .    48   .   C    .    49   .   N   parsed_1xfq   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     52    188   .   .    52   .   N   .    52   .   CA   .    52   .   C    .    53   .   N   parsed_1xfq   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     64    160   .   .    53   .   N   .    53   .   CA   .    53   .   C    .    54   .   N   parsed_1xfq   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     86    206   .   .    60   .   N   .    60   .   CA   .    60   .   C    .    61   .   N   parsed_1xfq   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     97    169   .   .    61   .   N   .    61   .   CA   .    61   .   C    .    62   .   N   parsed_1xfq   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -64    -24   .   .    79   .   N   .    79   .   CA   .    79   .   C    .    80   .   N   parsed_1xfq   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -65    -25   .   .    80   .   N   .    80   .   CA   .    80   .   C    .    81   .   N   parsed_1xfq   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -56     -4   .   .    81   .   N   .    81   .   CA   .    81   .   C    .    82   .   N   parsed_1xfq   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -61    -21   .   .    82   .   N   .    82   .   CA   .    82   .   C    .    83   .   N   parsed_1xfq   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -66    -22   .   .    83   .   N   .    83   .   CA   .    83   .   C    .    84   .   N   parsed_1xfq   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -58     -6   .   .    84   .   N   .    84   .   CA   .    84   .   C    .    85   .   N   parsed_1xfq   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    102    150   .   .    89   .   N   .    89   .   CA   .    89   .   C    .    90   .   N   parsed_1xfq   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117    169   .   .    91   .   N   .    91   .   CA   .    91   .   C    .    92   .   N   parsed_1xfq   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110    154   .   .    92   .   N   .    92   .   CA   .    92   .   C    .    93   .   N   parsed_1xfq   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    103    175   .   .    93   .   N   .    93   .   CA   .    93   .   C    .    94   .   N   parsed_1xfq   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     89    173   .   .    94   .   N   .    94   .   CA   .    94   .   C    .    95   .   N   parsed_1xfq   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    106    150   .   .    95   .   N   .    95   .   CA   .    95   .   C    .    96   .   N   parsed_1xfq   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     97    185   .   .   101   .   N   .   101   .   CA   .   101   .   C    .   102   .   N   parsed_1xfq   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100    168   .   .   103   .   N   .   103   .   CA   .   103   .   C    .   104   .   N   parsed_1xfq   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101    177   .   .   104   .   N   .   104   .   CA   .   104   .   C    .   105   .   N   parsed_1xfq   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    135    175   .   .   105   .   N   .   105   .   CA   .   105   .   C    .   106   .   N   parsed_1xfq   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     95    147   .   .   106   .   N   .   106   .   CA   .   106   .   C    .   107   .   N   parsed_1xfq   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104    144   .   .   107   .   N   .   107   .   CA   .   107   .   C    .   108   .   N   parsed_1xfq   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    108    164   .   .   108   .   N   .   108   .   CA   .   108   .   C    .   109   .   N   parsed_1xfq   1   
        81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109    169   .   .   109   .   N   .   109   .   CA   .   109   .   C    .   110   .   N   parsed_1xfq   1   
        82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112    156   .   .   110   .   N   .   110   .   CA   .   110   .   C    .   111   .   N   parsed_1xfq   1   
        83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    105    145   .   .   111   .   N   .   111   .   CA   .   111   .   C    .   112   .   N   parsed_1xfq   1   
        84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     97    145   .   .   112   .   N   .   112   .   CA   .   112   .   C    .   113   .   N   parsed_1xfq   1   
        85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -62     10   .   .   113   .   N   .   113   .   CA   .   113   .   C    .   114   .   N   parsed_1xfq   1   
        86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     79    187   .   .   118   .   N   .   118   .   CA   .   118   .   C    .   119   .   N   parsed_1xfq   1   
        87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     97    169   .   .   119   .   N   .   119   .   CA   .   119   .   C    .   120   .   N   parsed_1xfq   1   
        88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     98    150   .   .   120   .   N   .   120   .   CA   .   120   .   C    .   121   .   N   parsed_1xfq   1   
        89   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    103    147   .   .   121   .   N   .   121   .   CA   .   121   .   C    .   122   .   N   parsed_1xfq   1   
        90   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    106    170   .   .   122   .   N   .   122   .   CA   .   122   .   C    .   123   .   N   parsed_1xfq   1   
        91   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110    162   .   .   123   .   N   .   123   .   CA   .   123   .   C    .   124   .   N   parsed_1xfq   1   
        92   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     77    157   .   .   124   .   N   .   124   .   CA   .   124   .   C    .   125   .   N   parsed_1xfq   1   
    stop_


    loop_
        _TA_constraint_comment_org.ID 
        _TA_constraint_comment_org.Comment_text 
        _TA_constraint_comment_org.Comment_begin_line 
        _TA_constraint_comment_org.Comment_begin_column 
        _TA_constraint_comment_org.Comment_end_line 
        _TA_constraint_comment_org.Comment_end_column 
        _TA_constraint_comment_org.Entry_ID 
        _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 

         1   
;
phi and psi dihedral restraint file generated by Talos2Aria.py

TALOS filename:
/home/cedric/PYP/pyp-work/ARIA/pB/pred-03mars.tab

settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0

Talos derived phi restraint:
;
     1   1    10   31   parsed_1xfq   1   
         2   "Talos derived phi restraint:"     17   1    17   31   parsed_1xfq   1   
         3   "Talos derived phi restraint:"     24   1    24   31   parsed_1xfq   1   
         4   "Talos derived phi restraint:"     31   1    31   31   parsed_1xfq   1   
         5   "Talos derived phi restraint:"     38   1    38   31   parsed_1xfq   1   
         6   "Talos derived phi restraint:"     45   1    45   31   parsed_1xfq   1   
         7   "Talos derived phi restraint:"     52   1    52   31   parsed_1xfq   1   
         8   "Talos derived phi restraint:"     59   1    59   31   parsed_1xfq   1   
         9   "Talos derived phi restraint:"     66   1    66   31   parsed_1xfq   1   
        10   "Talos derived phi restraint:"     73   1    73   31   parsed_1xfq   1   
        11   "Talos derived phi restraint:"     80   1    80   31   parsed_1xfq   1   
        12   "Talos derived phi restraint:"     87   1    87   31   parsed_1xfq   1   
        13   "Talos derived phi restraint:"     94   1    94   31   parsed_1xfq   1   
        14   "Talos derived phi restraint:"    101   1   101   31   parsed_1xfq   1   
        15   "Talos derived phi restraint:"    108   1   108   31   parsed_1xfq   1   
        16   "Talos derived phi restraint:"    115   1   115   31   parsed_1xfq   1   
        17   "Talos derived phi restraint:"    122   1   122   31   parsed_1xfq   1   
        18   "Talos derived phi restraint:"    129   1   129   31   parsed_1xfq   1   
        19   "Talos derived phi restraint:"    136   1   136   31   parsed_1xfq   1   
        20   "Talos derived phi restraint:"    143   1   143   31   parsed_1xfq   1   
        21   "Talos derived phi restraint:"    150   1   150   31   parsed_1xfq   1   
        22   "Talos derived phi restraint:"    157   1   157   31   parsed_1xfq   1   
        23   "Talos derived phi restraint:"    164   1   164   31   parsed_1xfq   1   
        24   "Talos derived phi restraint:"    171   1   171   31   parsed_1xfq   1   
        25   "Talos derived phi restraint:"    178   1   178   31   parsed_1xfq   1   
        26   "Talos derived phi restraint:"    185   1   185   31   parsed_1xfq   1   
        27   "Talos derived phi restraint:"    192   1   192   31   parsed_1xfq   1   
        28   "Talos derived phi restraint:"    199   1   199   31   parsed_1xfq   1   
        29   "Talos derived phi restraint:"    206   1   206   31   parsed_1xfq   1   
        30   "Talos derived phi restraint:"    213   1   213   31   parsed_1xfq   1   
        31   "Talos derived phi restraint:"    220   1   220   31   parsed_1xfq   1   
        32   "Talos derived phi restraint:"    227   1   227   31   parsed_1xfq   1   
        33   "Talos derived phi restraint:"    234   1   234   31   parsed_1xfq   1   
        34   "Talos derived phi restraint:"    241   1   241   31   parsed_1xfq   1   
        35   "Talos derived phi restraint:"    248   1   248   31   parsed_1xfq   1   
        36   "Talos derived phi restraint:"    255   1   255   31   parsed_1xfq   1   
        37   "Talos derived phi restraint:"    262   1   262   31   parsed_1xfq   1   
        38   "Talos derived phi restraint:"    269   1   269   31   parsed_1xfq   1   
        39   "Talos derived phi restraint:"    276   1   276   31   parsed_1xfq   1   
        40   "Talos derived phi restraint:"    283   1   283   31   parsed_1xfq   1   
        41   "Talos derived phi restraint:"    290   1   290   31   parsed_1xfq   1   
        42   "Talos derived phi restraint:"    297   1   297   31   parsed_1xfq   1   
        43   "Talos derived phi restraint:"    304   1   304   31   parsed_1xfq   1   
        44   "Talos derived phi restraint:"    311   1   311   31   parsed_1xfq   1   
        45   "Talos derived phi restraint:"    318   1   318   31   parsed_1xfq   1   
        46   "Talos derived phi restraint:"    325   1   325   31   parsed_1xfq   1   
        47   "Talos derived psi restraint:"    332   1   332   31   parsed_1xfq   1   
        48   "Talos derived psi restraint:"    339   1   339   31   parsed_1xfq   1   
        49   "Talos derived psi restraint:"    346   1   346   31   parsed_1xfq   1   
        50   "Talos derived psi restraint:"    353   1   353   31   parsed_1xfq   1   
        51   "Talos derived psi restraint:"    360   1   360   31   parsed_1xfq   1   
        52   "Talos derived psi restraint:"    367   1   367   31   parsed_1xfq   1   
        53   "Talos derived psi restraint:"    374   1   374   31   parsed_1xfq   1   
        54   "Talos derived psi restraint:"    381   1   381   31   parsed_1xfq   1   
        55   "Talos derived psi restraint:"    388   1   388   31   parsed_1xfq   1   
        56   "Talos derived psi restraint:"    395   1   395   31   parsed_1xfq   1   
        57   "Talos derived psi restraint:"    402   1   402   31   parsed_1xfq   1   
        58   "Talos derived psi restraint:"    409   1   409   31   parsed_1xfq   1   
        59   "Talos derived psi restraint:"    416   1   416   31   parsed_1xfq   1   
        60   "Talos derived psi restraint:"    423   1   423   31   parsed_1xfq   1   
        61   "Talos derived psi restraint:"    430   1   430   31   parsed_1xfq   1   
        62   "Talos derived psi restraint:"    437   1   437   31   parsed_1xfq   1   
        63   "Talos derived psi restraint:"    444   1   444   31   parsed_1xfq   1   
        64   "Talos derived psi restraint:"    451   1   451   31   parsed_1xfq   1   
        65   "Talos derived psi restraint:"    458   1   458   31   parsed_1xfq   1   
        66   "Talos derived psi restraint:"    465   1   465   31   parsed_1xfq   1   
        67   "Talos derived psi restraint:"    472   1   472   31   parsed_1xfq   1   
        68   "Talos derived psi restraint:"    479   1   479   31   parsed_1xfq   1   
        69   "Talos derived psi restraint:"    486   1   486   31   parsed_1xfq   1   
        70   "Talos derived psi restraint:"    493   1   493   31   parsed_1xfq   1   
        71   "Talos derived psi restraint:"    500   1   500   31   parsed_1xfq   1   
        72   "Talos derived psi restraint:"    507   1   507   31   parsed_1xfq   1   
        73   "Talos derived psi restraint:"    514   1   514   31   parsed_1xfq   1   
        74   "Talos derived psi restraint:"    521   1   521   31   parsed_1xfq   1   
        75   "Talos derived psi restraint:"    528   1   528   31   parsed_1xfq   1   
        76   "Talos derived psi restraint:"    535   1   535   31   parsed_1xfq   1   
        77   "Talos derived psi restraint:"    542   1   542   31   parsed_1xfq   1   
        78   "Talos derived psi restraint:"    549   1   549   31   parsed_1xfq   1   
        79   "Talos derived psi restraint:"    556   1   556   31   parsed_1xfq   1   
        80   "Talos derived psi restraint:"    563   1   563   31   parsed_1xfq   1   
        81   "Talos derived psi restraint:"    570   1   570   31   parsed_1xfq   1   
        82   "Talos derived psi restraint:"    577   1   577   31   parsed_1xfq   1   
        83   "Talos derived psi restraint:"    584   1   584   31   parsed_1xfq   1   
        84   "Talos derived psi restraint:"    591   1   591   31   parsed_1xfq   1   
        85   "Talos derived psi restraint:"    598   1   598   31   parsed_1xfq   1   
        86   "Talos derived psi restraint:"    605   1   605   31   parsed_1xfq   1   
        87   "Talos derived psi restraint:"    612   1   612   31   parsed_1xfq   1   
        88   "Talos derived psi restraint:"    619   1   619   31   parsed_1xfq   1   
        89   "Talos derived psi restraint:"    626   1   626   31   parsed_1xfq   1   
        90   "Talos derived psi restraint:"    633   1   633   31   parsed_1xfq   1   
        91   "Talos derived psi restraint:"    640   1   640   31   parsed_1xfq   1   
        92   "Talos derived psi restraint:"    647   1   647   31   parsed_1xfq   1   
    stop_

save_





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