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
554403 2m0y 18832 cing 2-parsed STAR dihedral angle 77


data_2m0y_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2m0y 
    _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_2m0y   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2m0y 
    _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   2m0y   "Master copy"    parsed_2m0y   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2m0y 
    _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   2m0y.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2m0y   1   
        1   2m0y.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1076   parsed_2m0y   1   
        1   2m0y.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple               32   parsed_2m0y   1   
        1   2m0y.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"      77   parsed_2m0y   1   
        1   2m0y.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2m0y   1   
    stop_

save_


save_CNS/XPLOR_dihedral_4
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2m0y 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            4 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -132.97    -50.97   .   .    4   .   c   .    5   .   n    .    5   .   ca   .    5   .   c   parsed_2m0y   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -162.75    -60.75   .   .    7   .   c   .    8   .   n    .    8   .   ca   .    8   .   c   parsed_2m0y   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -164.16    -94.16   .   .   12   .   c   .   13   .   n    .   13   .   ca   .   13   .   c   parsed_2m0y   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -163.03    -83.03   .   .   14   .   c   .   15   .   n    .   15   .   ca   .   15   .   c   parsed_2m0y   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.13    -49.13   .   .   15   .   c   .   16   .   n    .   16   .   ca   .   16   .   c   parsed_2m0y   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.43    -80.43   .   .   16   .   c   .   17   .   n    .   17   .   ca   .   17   .   c   parsed_2m0y   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.3    -110.3    .   .   17   .   c   .   18   .   n    .   18   .   ca   .   18   .   c   parsed_2m0y   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -175.02    -71.02   .   .   19   .   c   .   20   .   n    .   20   .   ca   .   20   .   c   parsed_2m0y   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -152.88    -76.88   .   .   20   .   c   .   21   .   n    .   21   .   ca   .   21   .   c   parsed_2m0y   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -134.1     -30.1    .   .   21   .   c   .   22   .   n    .   22   .   ca   .   22   .   c   parsed_2m0y   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.02    -50.02   .   .   24   .   c   .   25   .   n    .   25   .   ca   .   25   .   c   parsed_2m0y   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -171.7     -89.7    .   .   26   .   c   .   27   .   n    .   27   .   ca   .   27   .   c   parsed_2m0y   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -159.42    -97.42   .   .   27   .   c   .   28   .   n    .   28   .   ca   .   28   .   c   parsed_2m0y   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -164.43   -102.43   .   .   29   .   c   .   30   .   n    .   30   .   ca   .   30   .   c   parsed_2m0y   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180.99    -48.99   .   .   30   .   c   .   31   .   n    .   31   .   ca   .   31   .   c   parsed_2m0y   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.6     -36.6    .   .   31   .   c   .   32   .   n    .   32   .   ca   .   32   .   c   parsed_2m0y   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     86.8     104.8    .   .   32   .   c   .   33   .   n    .   33   .   ca   .   33   .   c   parsed_2m0y   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.19    -51.19   .   .   33   .   c   .   34   .   n    .   34   .   ca   .   34   .   c   parsed_2m0y   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -122.0     -92.0    .   .   34   .   c   .   35   .   n    .   35   .   ca   .   35   .   c   parsed_2m0y   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -167.87    -87.87   .   .   35   .   c   .   36   .   n    .   36   .   ca   .   36   .   c   parsed_2m0y   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -142.01    -98.01   .   .   36   .   c   .   37   .   n    .   37   .   ca   .   37   .   c   parsed_2m0y   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.35    -46.35   .   .   37   .   c   .   38   .   n    .   38   .   ca   .   38   .   c   parsed_2m0y   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180.82   -106.82   .   .   39   .   c   .   40   .   n    .   40   .   ca   .   40   .   c   parsed_2m0y   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -162.96    -58.96   .   .   40   .   c   .   41   .   n    .   41   .   ca   .   41   .   c   parsed_2m0y   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -152.06   -120.06   .   .   45   .   c   .   46   .   n    .   46   .   ca   .   46   .   c   parsed_2m0y   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -136.19    -92.19   .   .   46   .   c   .   47   .   n    .   47   .   ca   .   47   .   c   parsed_2m0y   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.39    -50.39   .   .   49   .   c   .   50   .   n    .   50   .   ca   .   50   .   c   parsed_2m0y   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -157.33    -55.33   .   .   52   .   c   .   53   .   n    .   53   .   ca   .   53   .   c   parsed_2m0y   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -80.72    -44.72   .   .   53   .   c   .   54   .   n    .   54   .   ca   .   54   .   c   parsed_2m0y   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -131.09    -61.09   .   .   55   .   c   .   56   .   n    .   56   .   ca   .   56   .   c   parsed_2m0y   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -137.94    -69.94   .   .   56   .   c   .   57   .   n    .   57   .   ca   .   57   .   c   parsed_2m0y   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -190.7     -96.7    .   .   58   .   c   .   59   .   n    .   59   .   ca   .   59   .   c   parsed_2m0y   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -159.88    -41.88   .   .   59   .   c   .   60   .   n    .   60   .   ca   .   60   .   c   parsed_2m0y   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.41    -42.41   .   .   61   .   c   .   62   .   n    .   62   .   ca   .   62   .   c   parsed_2m0y   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -101.76    -49.76   .   .   62   .   c   .   63   .   n    .   63   .   ca   .   63   .   c   parsed_2m0y   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -174.08    -78.08   .   .   64   .   c   .   65   .   n    .   65   .   ca   .   65   .   c   parsed_2m0y   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -148.51    -66.51   .   .   65   .   c   .   66   .   n    .   66   .   ca   .   66   .   c   parsed_2m0y   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -117.31    -53.31   .   .   66   .   c   .   67   .   n    .   67   .   ca   .   67   .   c   parsed_2m0y   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     90.02    184.02   .   .    5   .   n   .    5   .   ca   .    5   .   c    .    6   .   n   parsed_2m0y   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     82.9     180.9    .   .    8   .   n   .    8   .   ca   .    8   .   c    .    9   .   n   parsed_2m0y   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    147.85    179.85   .   .   13   .   n   .   13   .   ca   .   13   .   c    .   14   .   n   parsed_2m0y   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    130.71    154.71   .   .   15   .   n   .   15   .   ca   .   15   .   c    .   16   .   n   parsed_2m0y   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     98.03    148.03   .   .   16   .   n   .   16   .   ca   .   16   .   c    .   17   .   n   parsed_2m0y   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     93.55    161.55   .   .   17   .   n   .   17   .   ca   .   17   .   c    .   18   .   n   parsed_2m0y   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    146.61    184.61   .   .   18   .   n   .   18   .   ca   .   18   .   c    .   19   .   n   parsed_2m0y   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    108.19    154.19   .   .   20   .   n   .   20   .   ca   .   20   .   c    .   21   .   n   parsed_2m0y   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     86.33    170.33   .   .   21   .   n   .   21   .   ca   .   21   .   c    .   22   .   n   parsed_2m0y   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     84.31    180.31   .   .   22   .   n   .   22   .   ca   .   22   .   c    .   23   .   n   parsed_2m0y   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50.98     -6.98   .   .   25   .   n   .   25   .   ca   .   25   .   c    .   26   .   n   parsed_2m0y   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    119.63    189.63   .   .   27   .   n   .   27   .   ca   .   27   .   c    .   28   .   n   parsed_2m0y   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    126.49    170.49   .   .   28   .   n   .   28   .   ca   .   28   .   c    .   29   .   n   parsed_2m0y   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    125.64    165.64   .   .   30   .   n   .   30   .   ca   .   30   .   c    .   31   .   n   parsed_2m0y   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    137.13    189.13   .   .   31   .   n   .   31   .   ca   .   31   .   c    .   32   .   n   parsed_2m0y   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    123.84    143.84   .   .   32   .   n   .   32   .   ca   .   32   .   c    .   33   .   n   parsed_2m0y   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -31.58      0.42   .   .   33   .   n   .   33   .   ca   .   33   .   c    .   34   .   n   parsed_2m0y   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.72    164.72   .   .   34   .   n   .   34   .   ca   .   34   .   c    .   35   .   n   parsed_2m0y   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110.34    162.34   .   .   35   .   n   .   35   .   ca   .   35   .   c    .   36   .   n   parsed_2m0y   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    137.2     173.2    .   .   36   .   n   .   36   .   ca   .   36   .   c    .   37   .   n   parsed_2m0y   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    108.42    144.42   .   .   37   .   n   .   37   .   ca   .   37   .   c    .   38   .   n   parsed_2m0y   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101.59    147.59   .   .   38   .   n   .   38   .   ca   .   38   .   c    .   39   .   n   parsed_2m0y   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    142.42    166.42   .   .   40   .   n   .   40   .   ca   .   40   .   c    .   41   .   n   parsed_2m0y   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     90.75    184.75   .   .   41   .   n   .   41   .   ca   .   41   .   c    .   42   .   n   parsed_2m0y   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    147.12    179.12   .   .   46   .   n   .   46   .   ca   .   46   .   c    .   47   .   n   parsed_2m0y   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.27    154.27   .   .   47   .   n   .   47   .   ca   .   47   .   c    .   48   .   n   parsed_2m0y   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    143.36    191.36   .   .   50   .   n   .   50   .   ca   .   50   .   c    .   51   .   n   parsed_2m0y   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     55.46    169.46   .   .   53   .   n   .   53   .   ca   .   53   .   c    .   54   .   n   parsed_2m0y   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -51.59      6.41   .   .   54   .   n   .   54   .   ca   .   54   .   c    .   55   .   n   parsed_2m0y   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     69.9     165.9    .   .   56   .   n   .   56   .   ca   .   56   .   c    .   57   .   n   parsed_2m0y   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.2     179.2    .   .   57   .   n   .   57   .   ca   .   57   .   c    .   58   .   n   parsed_2m0y   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    155.18    179.18   .   .   59   .   n   .   59   .   ca   .   59   .   c    .   60   .   n   parsed_2m0y   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    128.86    176.86   .   .   60   .   n   .   60   .   ca   .   60   .   c    .   61   .   n   parsed_2m0y   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    131.93    163.93   .   .   61   .   n   .   61   .   ca   .   61   .   c    .   62   .   n   parsed_2m0y   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -46.21    -10.21   .   .   62   .   n   .   62   .   ca   .   62   .   c    .   63   .   n   parsed_2m0y   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -38.77     11.23   .   .   63   .   n   .   63   .   ca   .   63   .   c    .   64   .   n   parsed_2m0y   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    122.67    182.67   .   .   65   .   n   .   65   .   ca   .   65   .   c    .   66   .   n   parsed_2m0y   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112.47    136.47   .   .   66   .   n   .   66   .   ca   .   66   .   c    .   67   .   n   parsed_2m0y   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     92.95    158.95   .   .   67   .   n   .   67   .   ca   .   67   .   c    .   68   .   n   parsed_2m0y   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   
;
assign (resid  1 and name c  ) (resid  2 and name n  )
(resid  2 and name ca ) (resid  2 and name c  )
assign (resid  2 and name c  ) (resid  3 and name n  )
(resid  3 and name ca ) (resid  3 and name c  )
assign (resid  3 and name c  ) (resid  4 and name n  )
(resid  4 and name ca ) (resid  4 and name c  )
;
     1   1     6   57   parsed_2m0y   1   
         2   
;
assign (resid  5 and name c  ) (resid  6 and name n  )
(resid  6 and name ca ) (resid  6 and name c  )
assign (resid  6 and name c  ) (resid  7 and name n  )
(resid  7 and name ca ) (resid  7 and name c  )
;
     9   1    12   57   parsed_2m0y   1   
         3   
;
assign (resid  8 and name c  ) (resid  9 and name n  )
(resid  9 and name ca ) (resid  9 and name c  )
assign (resid  9 and name c  ) (resid  10 and name n  )
(resid  10 and name ca ) (resid  10 and name c )
assign (resid  10 and name c  ) (resid  11 and name n  )
(resid  11 and name ca ) (resid  11 and name c  )
assign (resid  11 and name c  ) (resid  12 and name n  )
(resid  12 and name ca ) (resid  12 and name c  )
;
    15   1    22   58   parsed_2m0y   1   
         4   
;
assign (resid  13 and name c  ) (resid  14 and name n  )
(resid  14 and name ca ) (resid  14 and name c  )
;
    25   1    26   59   parsed_2m0y   1   
         5   
;
assign (resid  18 and name c  ) (resid  19 and name n  )
(resid  19 and name ca ) (resid  19 and name c  )
;
    35   1    36   59   parsed_2m0y   1   
         6   
;
assign (resid  22 and name c  ) (resid  23 and name n  )
(resid  23 and name ca ) (resid  23 and name c  ) 1 -95.17 62 2
assign (resid  23 and name c  ) (resid  24 and name n  )
(resid  24 and name ca ) (resid  24 and name c  ) 1 -68.07 41 2
;
    43   1    46   72   parsed_2m0y   1   
         7   
;
assign (resid  25 and name c  ) (resid  26 and name n  )
(resid  26 and name ca ) (resid  26 and name c  ) 1 -96.97 82.6 2
;
    49   1    50   74   parsed_2m0y   1   
         8   
;
assign (resid  28 and name c  ) (resid  29 and name n  )
(resid  29 and name ca ) (resid  29 and name c  ) 1 -98.31 81.5 2
;
    55   1    56   74   parsed_2m0y   1   
         9   
;
assign (resid  38 and name c  ) (resid  39 and name n  )
(resid  39 and name ca ) (resid  39 and name c  ) 1 -61.11  14 2
;
    75   1    76   73   parsed_2m0y   1   
        10   
;
assign (resid  41 and name c  ) (resid  42 and name n  )
(resid  42 and name ca ) (resid  42 and name c  ) 1 -71.75 31 2
assign (resid  42 and name c  ) (resid  43 and name n  )
(resid  43 and name ca ) (resid  43 and name c  ) 1 -103.47 44 2
assign (resid  43 and name c  ) (resid  44 and name n  )
(resid  44 and name ca ) (resid  44 and name c  ) 1  85.37  18 2
assign (resid  44 and name c  ) (resid  45 and name n  )
(resid  45 and name ca ) (resid  45 and name c  ) 1 -96.73 46.5 2
;
    81   1    88   74   parsed_2m0y   1   
        11   
;
assign (resid  47 and name c  ) (resid  48 and name n  )
(resid  48 and name ca ) (resid  48 and name c  ) 1 -89.53 33.6 2
assign (resid  48 and name c  ) (resid  49 and name n  )
(resid  49 and name ca ) (resid  49 and name c  ) 1 -127.04 51.6 2
;
    93   1    96   75   parsed_2m0y   1   
        12   
;
assign (resid  50 and name c  ) (resid  51 and name n  )
(resid  51 and name ca ) (resid  51 and name c  ) 1 -103.89 72 2
assign (resid  51 and name c  ) (resid  52 and name n  )
(resid  52 and name ca ) (resid  52 and name c  ) 1  -79.12 28 2
;
    99   1   102   73   parsed_2m0y   1   
        13   
;
assign (resid  54 and name c  ) (resid  55 and name n  )
(resid  55 and name ca ) (resid  55 and name c  ) 1  79.04 17 2
;
   107   1   108   72   parsed_2m0y   1   
        14   
;
assign (resid  57 and name c  ) (resid  58 and name n  )
(resid  58 and name ca ) (resid  58 and name c  ) 1 -75.5 58 2
;
   113   1   114   71   parsed_2m0y   1   
        15   
;
assign (resid  60 and name c  ) (resid  61 and name n  )
(resid  61 and name ca ) (resid  61 and name c  ) 1  -63.81 12 2
;
   119   1   120   73   parsed_2m0y   1   
        16   
;
assign (resid  63 and name c  ) (resid  64 and name n  )
(resid  64 and name ca ) (resid  64 and name c  ) 1 -62.64 15 2
;
   125   1   126   72   parsed_2m0y   1   
        17   
;
assign (resid  67 and name c  ) (resid  68 and name n  )
(resid  68 and name ca ) (resid  68 and name c  ) 1 -68.22 25.2 2
assign (resid  68 and name c  ) (resid  69 and name n  )
(resid  69 and name ca ) (resid  69 and name c  ) 1 -69.39 16.8 2
assign (resid  69 and name c  ) (resid  70 and name n  )
(resid  70 and name ca ) (resid  70 and name c  ) 1 -61.48 8.6 2
assign (resid  70 and name c  ) (resid  71 and name n  )
(resid  71 and name ca ) (resid  71 and name c  ) 1 -66.35 22 2
assign (resid  71 and name c  ) (resid  72 and name n  )
(resid  72 and name ca ) (resid  72 and name c  ) 1 -78.67 36 2
assign (resid  72 and name c  ) (resid  73 and name n  )
(resid  73 and name ca ) (resid  73 and name c  ) 1 -67.7 42 2
assign (resid  73 and name c  ) (resid  74 and name n  )
(resid  74 and name ca ) (resid  74 and name c  ) 1 -100.95 58 2


psi.tbl

assign (resid  2 and name n ) (resid  2 and name ca )
(resid  2 and name c ) (resid  3 and name n  ) 1 132.94 28  2
assign (resid  3 and name n ) (resid  3 and name ca )
(resid  3 and name c ) (resid  4 and name n  ) 1 147.85 32  2
assign (resid  4 and name n ) (resid  4 and name ca )
(resid  4 and name c ) (resid  5 and name n  ) 1 151.03 36  2
;
   133   1   156   70   parsed_2m0y   1   
        18   
;
assign (resid  6 and name n ) (resid  6 and name ca )
(resid  6 and name c ) (resid  7 and name n  ) 1 127.92 19.4  2
assign (resid  7 and name n ) (resid  7 and name ca )
(resid  7 and name c ) (resid  8 and name n  ) 1 152.14 35  2
;
   159   1   162   70   parsed_2m0y   1   
        19   
;
assign (resid  9 and name n ) (resid  9 and name ca )
(resid  9 and name c ) (resid  10 and name n  ) 1 117.14 38  2
assign (resid  10 and name n ) (resid  10 and name ca )
(resid  10 and name c ) (resid  11 and name n  ) 1 120.25 22.6  2
assign (resid  11 and name n ) (resid  11 and name ca )
(resid  11 and name c ) (resid  12 and name n  ) 1 124.21 45  2
assign (resid  12 and name n ) (resid  12 and name ca )
(resid  12 and name c ) (resid  13 and name n  ) 1 137.21 21.5  2
;
   165   1   172   74   parsed_2m0y   1   
        20   
;
assign (resid  14 and name n ) (resid  14 and name ca )
(resid  14 and name c ) (resid  15 and name n  ) 1 119.09 32.5  2
;
   175   1   176   74   parsed_2m0y   1   
        21   
;
assign (resid  19 and name n ) (resid  19 and name ca )
(resid  19 and name c ) (resid  20 and name n  ) 1 128.3   25  2
;
   185   1   186   73   parsed_2m0y   1   
        22   
;
assign (resid  23 and name n ) (resid  23 and name ca )
(resid  23 and name c ) (resid  24 and name n  ) 1 130.15   21  2
assign (resid  24 and name n ) (resid  24 and name ca )
(resid  24 and name c ) (resid  25 and name n  ) 1 -41.27   14  2
;
   193   1   196   74   parsed_2m0y   1   
        23   
;
assign (resid  26 and name n ) (resid  26 and name ca )
(resid  26 and name c ) (resid  27 and name n  ) 1 131.55  66  2
;
   199   1   200   73   parsed_2m0y   1   
        24   
;
assign (resid  29 and name n ) (resid  29 and name ca )
(resid  29 and name c ) (resid  30 and name n  ) 1 130.34   38  2
;
   205   1   206   74   parsed_2m0y   1   
        25   
;
assign (resid  39 and name n ) (resid  39 and name ca )
(resid  39 and name c ) (resid  40 and name n  ) 1 -45.19   9  2
;
   225   1   226   73   parsed_2m0y   1   
        26   
;
assign (resid  42 and name n ) (resid  42 and name ca )
(resid  42 and name c ) (resid  43 and name n  ) 1 -31.0  31  2
assign (resid  43 and name n ) (resid  43 and name ca )
(resid  43 and name c ) (resid  44 and name n  ) 1  -20.92  43  2
assign (resid  44 and name n ) (resid  44 and name ca )
(resid  44 and name c ) (resid  45 and name n  ) 1  -7.5  19  2
assign (resid  45 and name n ) (resid  45 and name ca )
(resid  45 and name c ) (resid  46 and name n  ) 1 156.99   30  2
;
   231   1   238   74   parsed_2m0y   1   
        27   
;
assign (resid  48 and name n ) (resid  48 and name ca )
(resid  48 and name c ) (resid  49 and name n  ) 1 -22.82   13  2
assign (resid  49 and name n ) (resid  49 and name ca )
(resid  49 and name c ) (resid  50 and name n  ) 1 136.14   18  2
;
   243   1   246   74   parsed_2m0y   1   
        28   
;
assign (resid  51 and name n ) (resid  51 and name ca )
(resid  51 and name c ) (resid  52 and name n  ) 1 141.13   22.5  2
assign (resid  52 and name n ) (resid  52 and name ca )
(resid  52 and name c ) (resid  53 and name n  ) 1 -16.19   27  2
;
   249   1   252   74   parsed_2m0y   1   
        29   
;
assign (resid  55 and name n ) (resid  55 and name ca )
(resid  55 and name c ) (resid  56 and name n  ) 1 -0.16   26.6  2
;
   257   1   258   75   parsed_2m0y   1   
        30   
;
assign (resid  58 and name n ) (resid  58 and name ca )
(resid  58 and name c ) (resid  59 and name n  ) 1 -55.65  70 2
;
   263   1   264   72   parsed_2m0y   1   
        31   
;
assign (resid  64 and name n ) (resid  64 and name ca )
(resid  64 and name c ) (resid  65 and name n  ) 1 -38.82   19  2
;
   275   1   276   74   parsed_2m0y   1   
        32   
;
assign (resid  68 and name n ) (resid  68 and name ca )
(resid  68 and name c ) (resid  69 and name n  ) 1 -36.21   15.7  2
assign (resid  69 and name n ) (resid  69 and name ca )
(resid  69 and name c ) (resid  70 and name n  ) 1 -45.15   12  2
assign (resid  70 and name n ) (resid  70 and name ca )
(resid  70 and name c ) (resid  71 and name n  ) 1 -41.75  12  2
assign (resid  71 and name n ) (resid  71 and name ca )
(resid  71 and name c ) (resid  72 and name n  ) 1 -38.3   35  2
assign (resid  72 and name n ) (resid  72 and name ca )
(resid  72 and name c ) (resid  73 and name n  ) 1 -25.98   26  2
assign (resid  73 and name n ) (resid  73 and name ca )
(resid  73 and name c ) (resid  74 and name n  ) 1 139.4   29  2
assign (resid  74 and name n ) (resid  74 and name ca )
(resid  74 and name c ) (resid  75 and name n  ) 1 148.12  36  2

end
;
   283   1   298    5   parsed_2m0y   1   
    stop_

save_





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