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
602699 2nbd 25972 cing 2-parsed STAR dihedral angle 108


data_2nbd_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2nbd 
    _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_2nbd   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2nbd 
    _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   2nbd   "Master copy"    parsed_2nbd   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2nbd 
    _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   2nbd.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2nbd   1   
        1   2nbd.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               2554   parsed_2nbd   1   
        1   2nbd.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     108   parsed_2nbd   1   
        1   2nbd.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2nbd   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2nbd 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -149.47   -114.85   .   .    2   .   c   .    3   .   n    .    3   .   ca   .    3   .   c   parsed_2nbd   1   
          2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    158.48    172.30   .   .    3   .   n   .    3   .   ca   .    3   .   c    .    4   .   n   parsed_2nbd   1   
          3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -124.53   -108.87   .   .    3   .   c   .    4   .   n    .    4   .   ca   .    4   .   c   parsed_2nbd   1   
          4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    124.09    152.91   .   .    4   .   n   .    4   .   ca   .    4   .   c    .    5   .   n   parsed_2nbd   1   
          5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -123.76    -85.42   .   .    4   .   c   .    5   .   n    .    5   .   ca   .    5   .   c   parsed_2nbd   1   
          6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    114.64    134.58   .   .    5   .   n   .    5   .   ca   .    5   .   c    .    6   .   n   parsed_2nbd   1   
          7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -120.52    -98.02   .   .    5   .   c   .    6   .   n    .    6   .   ca   .    6   .   c   parsed_2nbd   1   
          8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    119.09    150.71   .   .    6   .   n   .    6   .   ca   .    6   .   c    .    7   .   n   parsed_2nbd   1   
          9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -107.11    -71.55   .   .    6   .   c   .    7   .   n    .    7   .   ca   .    7   .   c   parsed_2nbd   1   
         10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    149.15    178.59   .   .    7   .   n   .    7   .   ca   .    7   .   c    .    8   .   n   parsed_2nbd   1   
         11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.70    -59.88   .   .    7   .   c   .    8   .   n    .    8   .   ca   .    8   .   c   parsed_2nbd   1   
         12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -35.89     -5.91   .   .    8   .   n   .    8   .   ca   .    8   .   c    .    9   .   n   parsed_2nbd   1   
         13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -113.23    -86.17   .   .    8   .   c   .    9   .   n    .    9   .   ca   .    9   .   c   parsed_2nbd   1   
         14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -15.20      6.04   .   .    9   .   n   .    9   .   ca   .    9   .   c    .   10   .   n   parsed_2nbd   1   
         15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -112.95    -72.71   .   .   10   .   c   .   11   .   n    .   11   .   ca   .   11   .   c   parsed_2nbd   1   
         16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111.01    145.93   .   .   11   .   n   .   11   .   ca   .   11   .   c    .   12   .   n   parsed_2nbd   1   
         17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -116.88    -84.08   .   .   11   .   c   .   12   .   n    .   12   .   ca   .   12   .   c   parsed_2nbd   1   
         18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    113.49    136.05   .   .   12   .   n   .   12   .   ca   .   12   .   c    .   13   .   n   parsed_2nbd   1   
         19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -126.61    -92.89   .   .   12   .   c   .   13   .   n    .   13   .   ca   .   13   .   c   parsed_2nbd   1   
         20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    116.49    141.59   .   .   13   .   n   .   13   .   ca   .   13   .   c    .   14   .   n   parsed_2nbd   1   
         21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -134.04    -89.68   .   .   13   .   c   .   14   .   n    .   14   .   ca   .   14   .   c   parsed_2nbd   1   
         22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    129.92    167.26   .   .   14   .   n   .   14   .   ca   .   14   .   c    .   15   .   n   parsed_2nbd   1   
         23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -128.65    -95.85   .   .   15   .   c   .   16   .   n    .   16   .   ca   .   16   .   c   parsed_2nbd   1   
         24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    125.08    157.04   .   .   16   .   n   .   16   .   ca   .   16   .   c    .   17   .   n   parsed_2nbd   1   
         25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -143.77   -123.33   .   .   16   .   c   .   17   .   n    .   17   .   ca   .   17   .   c   parsed_2nbd   1   
         26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    144.98    177.26   .   .   17   .   n   .   17   .   ca   .   17   .   c    .   18   .   n   parsed_2nbd   1   
         27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.81    -80.67   .   .   19   .   c   .   20   .   n    .   20   .   ca   .   20   .   c   parsed_2nbd   1   
         28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -11.44     18.94   .   .   20   .   n   .   20   .   ca   .   20   .   c    .   21   .   n   parsed_2nbd   1   
         29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -115.73    -82.71   .   .   20   .   c   .   21   .   n    .   21   .   ca   .   21   .   c   parsed_2nbd   1   
         30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -31.59     20.79   .   .   21   .   n   .   21   .   ca   .   21   .   c    .   22   .   n   parsed_2nbd   1   
         31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -122.29    -89.57   .   .   21   .   c   .   22   .   n    .   22   .   ca   .   22   .   c   parsed_2nbd   1   
         32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    147.94    164.78   .   .   22   .   n   .   22   .   ca   .   22   .   c    .   23   .   n   parsed_2nbd   1   
         33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.62    -58.06   .   .   23   .   c   .   24   .   n    .   24   .   ca   .   24   .   c   parsed_2nbd   1   
         34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.35    -28.03   .   .   24   .   n   .   24   .   ca   .   24   .   c    .   25   .   n   parsed_2nbd   1   
         35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.46    -60.14   .   .   24   .   c   .   25   .   n    .   25   .   ca   .   25   .   c   parsed_2nbd   1   
         36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -43.43    -35.99   .   .   25   .   n   .   25   .   ca   .   25   .   c    .   26   .   n   parsed_2nbd   1   
         37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.16    -58.28   .   .   25   .   c   .   26   .   n    .   26   .   ca   .   26   .   c   parsed_2nbd   1   
         38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -47.84    -39.10   .   .   26   .   n   .   26   .   ca   .   26   .   c    .   27   .   n   parsed_2nbd   1   
         39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.31    -60.75   .   .   26   .   c   .   27   .   n    .   27   .   ca   .   27   .   c   parsed_2nbd   1   
         40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -44.73    -32.41   .   .   27   .   n   .   27   .   ca   .   27   .   c    .   28   .   n   parsed_2nbd   1   
         41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.06    -56.52   .   .   27   .   c   .   28   .   n    .   28   .   ca   .   28   .   c   parsed_2nbd   1   
         42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -45.23    -36.97   .   .   28   .   n   .   28   .   ca   .   28   .   c    .   29   .   n   parsed_2nbd   1   
         43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.33    -60.73   .   .   28   .   c   .   29   .   n    .   29   .   ca   .   29   .   c   parsed_2nbd   1   
         44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -43.02    -35.28   .   .   29   .   n   .   29   .   ca   .   29   .   c    .   30   .   n   parsed_2nbd   1   
         45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.52    -59.54   .   .   29   .   c   .   30   .   n    .   30   .   ca   .   30   .   c   parsed_2nbd   1   
         46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50.12    -37.48   .   .   30   .   n   .   30   .   ca   .   30   .   c    .   31   .   n   parsed_2nbd   1   
         47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.98    -57.32   .   .   30   .   c   .   31   .   n    .   31   .   ca   .   31   .   c   parsed_2nbd   1   
         48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -47.18    -33.90   .   .   31   .   n   .   31   .   ca   .   31   .   c    .   32   .   n   parsed_2nbd   1   
         49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -75.57    -59.31   .   .   31   .   c   .   32   .   n    .   32   .   ca   .   32   .   c   parsed_2nbd   1   
         50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -38.75    -17.21   .   .   32   .   n   .   32   .   ca   .   32   .   c    .   33   .   n   parsed_2nbd   1   
         51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -96.35    -62.45   .   .   32   .   c   .   33   .   n    .   33   .   ca   .   33   .   c   parsed_2nbd   1   
         52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -42.53    -10.45   .   .   33   .   n   .   33   .   ca   .   33   .   c    .   34   .   n   parsed_2nbd   1   
         53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -112.28    -88.96   .   .   33   .   c   .   34   .   n    .   34   .   ca   .   34   .   c   parsed_2nbd   1   
         54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -23.63     13.07   .   .   34   .   n   .   34   .   ca   .   34   .   c    .   35   .   n   parsed_2nbd   1   
         55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     58.80     92.58   .   .   34   .   c   .   35   .   n    .   35   .   ca   .   35   .   c   parsed_2nbd   1   
         56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      3.40     33.94   .   .   35   .   n   .   35   .   ca   .   35   .   c    .   36   .   n   parsed_2nbd   1   
         57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -76.80    -64.98   .   .   38   .   c   .   39   .   n    .   39   .   ca   .   39   .   c   parsed_2nbd   1   
         58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -32.66     -8.98   .   .   39   .   n   .   39   .   ca   .   39   .   c    .   40   .   n   parsed_2nbd   1   
         59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -111.99    -84.81   .   .   39   .   c   .   40   .   n    .   40   .   ca   .   40   .   c   parsed_2nbd   1   
         60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -22.24      9.78   .   .   40   .   n   .   40   .   ca   .   40   .   c    .   41   .   n   parsed_2nbd   1   
         61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -131.75   -103.99   .   .   41   .   c   .   42   .   n    .   42   .   ca   .   42   .   c   parsed_2nbd   1   
         62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    105.60    140.62   .   .   42   .   n   .   42   .   ca   .   42   .   c    .   43   .   n   parsed_2nbd   1   
         63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -122.35    -95.31   .   .   42   .   c   .   43   .   n    .   43   .   ca   .   43   .   c   parsed_2nbd   1   
         64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.06    142.64   .   .   43   .   n   .   43   .   ca   .   43   .   c    .   44   .   n   parsed_2nbd   1   
         65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133.61    -92.99   .   .   43   .   c   .   44   .   n    .   44   .   ca   .   44   .   c   parsed_2nbd   1   
         66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.16    159.80   .   .   44   .   n   .   44   .   ca   .   44   .   c    .   45   .   n   parsed_2nbd   1   
         67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -126.83    -95.21   .   .   47   .   c   .   48   .   n    .   48   .   ca   .   48   .   c   parsed_2nbd   1   
         68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    132.99    152.01   .   .   48   .   n   .   48   .   ca   .   48   .   c    .   49   .   n   parsed_2nbd   1   
         69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125.89    -85.07   .   .   48   .   c   .   49   .   n    .   49   .   ca   .   49   .   c   parsed_2nbd   1   
         70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.21    150.89   .   .   49   .   n   .   49   .   ca   .   49   .   c    .   50   .   n   parsed_2nbd   1   
         71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -143.70    -89.56   .   .   49   .   c   .   50   .   n    .   50   .   ca   .   50   .   c   parsed_2nbd   1   
         72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    126.81    153.89   .   .   50   .   n   .   50   .   ca   .   50   .   c    .   51   .   n   parsed_2nbd   1   
         73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -148.76    -83.02   .   .   50   .   c   .   51   .   n    .   51   .   ca   .   51   .   c   parsed_2nbd   1   
         74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.19    180.61   .   .   51   .   n   .   51   .   ca   .   51   .   c    .   52   .   n   parsed_2nbd   1   
         75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.20    -58.04   .   .   51   .   c   .   52   .   n    .   52   .   ca   .   52   .   c   parsed_2nbd   1   
         76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    116.10    159.72   .   .   52   .   n   .   52   .   ca   .   52   .   c    .   53   .   n   parsed_2nbd   1   
         77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -131.97    -82.19   .   .   53   .   c   .   54   .   n    .   54   .   ca   .   54   .   c   parsed_2nbd   1   
         78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    147.07    162.47   .   .   54   .   n   .   54   .   ca   .   54   .   c    .   55   .   n   parsed_2nbd   1   
         79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -114.07    -78.67   .   .   54   .   c   .   55   .   n    .   55   .   ca   .   55   .   c   parsed_2nbd   1   
         80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    155.31    183.69   .   .   55   .   n   .   55   .   ca   .   55   .   c    .   56   .   n   parsed_2nbd   1   
         81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -64.89    -58.13   .   .   55   .   c   .   56   .   n    .   56   .   ca   .   56   .   c   parsed_2nbd   1   
         82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -41.98    -34.70   .   .   56   .   n   .   56   .   ca   .   56   .   c    .   57   .   n   parsed_2nbd   1   
         83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.78    -61.18   .   .   56   .   c   .   57   .   n    .   57   .   ca   .   57   .   c   parsed_2nbd   1   
         84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -44.83    -27.89   .   .   57   .   n   .   57   .   ca   .   57   .   c    .   58   .   n   parsed_2nbd   1   
         85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -76.18    -55.40   .   .   57   .   c   .   58   .   n    .   58   .   ca   .   58   .   c   parsed_2nbd   1   
         86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -41.00    -14.24   .   .   58   .   n   .   58   .   ca   .   58   .   c    .   59   .   n   parsed_2nbd   1   
         87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -101.60    -83.32   .   .   58   .   c   .   59   .   n    .   59   .   ca   .   59   .   c   parsed_2nbd   1   
         88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     -0.68     15.58   .   .   59   .   n   .   59   .   ca   .   59   .   c    .   60   .   n   parsed_2nbd   1   
         89   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -127.22    -91.70   .   .   61   .   c   .   62   .   n    .   62   .   ca   .   62   .   c   parsed_2nbd   1   
         90   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    130.52    182.50   .   .   62   .   n   .   62   .   ca   .   62   .   c    .   63   .   n   parsed_2nbd   1   
         91   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -122.21    -90.13   .   .   63   .   c   .   64   .   n    .   64   .   ca   .   64   .   c   parsed_2nbd   1   
         92   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -21.44      9.00   .   .   64   .   n   .   64   .   ca   .   64   .   c    .   65   .   n   parsed_2nbd   1   
         93   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -136.87    -99.59   .   .   65   .   c   .   66   .   n    .   66   .   ca   .   66   .   c   parsed_2nbd   1   
         94   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.65    139.45   .   .   66   .   n   .   66   .   ca   .   66   .   c    .   67   .   n   parsed_2nbd   1   
         95   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -142.22   -104.36   .   .   66   .   c   .   67   .   n    .   67   .   ca   .   67   .   c   parsed_2nbd   1   
         96   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.40    161.58   .   .   67   .   n   .   67   .   ca   .   67   .   c    .   68   .   n   parsed_2nbd   1   
         97   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -128.77    -96.63   .   .   67   .   c   .   68   .   n    .   68   .   ca   .   68   .   c   parsed_2nbd   1   
         98   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110.96    151.26   .   .   68   .   n   .   68   .   ca   .   68   .   c    .   69   .   n   parsed_2nbd   1   
         99   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -124.43    -98.27   .   .   68   .   c   .   69   .   n    .   69   .   ca   .   69   .   c   parsed_2nbd   1   
        100   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    102.67    141.99   .   .   69   .   n   .   69   .   ca   .   69   .   c    .   70   .   n   parsed_2nbd   1   
        101   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -135.64    -95.92   .   .   69   .   c   .   70   .   n    .   70   .   ca   .   70   .   c   parsed_2nbd   1   
        102   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    131.80    145.10   .   .   70   .   n   .   70   .   ca   .   70   .   c    .   71   .   n   parsed_2nbd   1   
        103   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -120.84    -99.96   .   .   70   .   c   .   71   .   n    .   71   .   ca   .   71   .   c   parsed_2nbd   1   
        104   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111.42    143.72   .   .   71   .   n   .   71   .   ca   .   71   .   c    .   72   .   n   parsed_2nbd   1   
        105   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.06    -90.88   .   .   71   .   c   .   72   .   n    .   72   .   ca   .   72   .   c   parsed_2nbd   1   
        106   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    114.74    157.02   .   .   72   .   n   .   72   .   ca   .   72   .   c    .   73   .   n   parsed_2nbd   1   
        107   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -146.34    -98.32   .   .   73   .   c   .   74   .   n    .   74   .   ca   .   74   .   c   parsed_2nbd   1   
        108   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    125.13    155.03   .   .   74   .   n   .   74   .   ca   .   74   .   c    .   75   .   n   parsed_2nbd   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   
;
## DIHEs
! 1 Phi
! 2 Phi
! 3 Phi
;
     1   1     4    9   parsed_2nbd   1   
          2   "!  3    Psi"       7   1     7   13   parsed_2nbd   1   
          3   "! 4 Phi"          10   1    10    9   parsed_2nbd   1   
          4   "!  4    Psi"      13   1    13   13   parsed_2nbd   1   
          5   "! 5 Phi"          16   1    16    9   parsed_2nbd   1   
          6   "!  5    Psi"      19   1    19   13   parsed_2nbd   1   
          7   "! 6 Phi"          22   1    22    9   parsed_2nbd   1   
          8   "!  6    Psi"      25   1    25   13   parsed_2nbd   1   
          9   "! 7 Phi"          28   1    28    9   parsed_2nbd   1   
         10   "!  7    Psi"      31   1    31   13   parsed_2nbd   1   
         11   "! 8 Phi"          34   1    34    9   parsed_2nbd   1   
         12   "!  8    Psi"      37   1    37   13   parsed_2nbd   1   
         13   "! 9 Phi"          40   1    40    9   parsed_2nbd   1   
         14   "!  9    Psi"      43   1    43   13   parsed_2nbd   1   
         15   
;
! 10 Phi
! 11 Phi
;
    46   1    47   10   parsed_2nbd   1   
         16   "!  11    Psi"     50   1    50   14   parsed_2nbd   1   
         17   "! 12 Phi"         53   1    53   10   parsed_2nbd   1   
         18   "!  12    Psi"     56   1    56   14   parsed_2nbd   1   
         19   "! 13 Phi"         59   1    59   10   parsed_2nbd   1   
         20   "!  13    Psi"     62   1    62   14   parsed_2nbd   1   
         21   "! 14 Phi"         65   1    65   10   parsed_2nbd   1   
         22   "!  14    Psi"     68   1    68   14   parsed_2nbd   1   
         23   
;
! 15 Phi
! 16 Phi
;
    71   1    72   10   parsed_2nbd   1   
         24   "!  16    Psi"     75   1    75   14   parsed_2nbd   1   
         25   "! 17 Phi"         78   1    78   10   parsed_2nbd   1   
         26   "!  17    Psi"     81   1    81   14   parsed_2nbd   1   
         27   
;
! 18 Phi
! 19 Phi
! 20 Phi
;
    84   1    86   10   parsed_2nbd   1   
         28   "!  20    Psi"     89   1    89   14   parsed_2nbd   1   
         29   "! 21 Phi"         92   1    92   10   parsed_2nbd   1   
         30   "!  21    Psi"     95   1    95   14   parsed_2nbd   1   
         31   "! 22 Phi"         98   1    98   10   parsed_2nbd   1   
         32   "!  22    Psi"    101   1   101   14   parsed_2nbd   1   
         33   
;
! 23 Phi
! 24 Phi
;
   104   1   105   10   parsed_2nbd   1   
         34   "!  24    Psi"    108   1   108   14   parsed_2nbd   1   
         35   "! 25 Phi"        111   1   111   10   parsed_2nbd   1   
         36   "!  25    Psi"    114   1   114   14   parsed_2nbd   1   
         37   "! 26 Phi"        117   1   117   10   parsed_2nbd   1   
         38   "!  26    Psi"    120   1   120   14   parsed_2nbd   1   
         39   "! 27 Phi"        123   1   123   10   parsed_2nbd   1   
         40   "!  27    Psi"    126   1   126   14   parsed_2nbd   1   
         41   "! 28 Phi"        129   1   129   10   parsed_2nbd   1   
         42   "!  28    Psi"    132   1   132   14   parsed_2nbd   1   
         43   "! 29 Phi"        135   1   135   10   parsed_2nbd   1   
         44   "!  29    Psi"    138   1   138   14   parsed_2nbd   1   
         45   "! 30 Phi"        141   1   141   10   parsed_2nbd   1   
         46   "!  30    Psi"    144   1   144   14   parsed_2nbd   1   
         47   "! 31 Phi"        147   1   147   10   parsed_2nbd   1   
         48   "!  31    Psi"    150   1   150   14   parsed_2nbd   1   
         49   "! 32 Phi"        153   1   153   10   parsed_2nbd   1   
         50   "!  32    Psi"    156   1   156   14   parsed_2nbd   1   
         51   "! 33 Phi"        159   1   159   10   parsed_2nbd   1   
         52   "!  33    Psi"    162   1   162   14   parsed_2nbd   1   
         53   "! 34 Phi"        165   1   165   10   parsed_2nbd   1   
         54   "!  34    Psi"    168   1   168   14   parsed_2nbd   1   
         55   "! 35 Phi"        171   1   171   10   parsed_2nbd   1   
         56   "!  35    Psi"    174   1   174   14   parsed_2nbd   1   
         57   
;
! 36 Phi
! 37 Phi
! 38 Phi
! 39 Phi
;
   177   1   180   10   parsed_2nbd   1   
         58   "!  39    Psi"    183   1   183   14   parsed_2nbd   1   
         59   "! 40 Phi"        186   1   186   10   parsed_2nbd   1   
         60   "!  40    Psi"    189   1   189   14   parsed_2nbd   1   
         61   
;
! 41 Phi
! 42 Phi
;
   192   1   193   10   parsed_2nbd   1   
         62   "!  42    Psi"    196   1   196   14   parsed_2nbd   1   
         63   "! 43 Phi"        199   1   199   10   parsed_2nbd   1   
         64   "!  43    Psi"    202   1   202   14   parsed_2nbd   1   
         65   "! 44 Phi"        205   1   205   10   parsed_2nbd   1   
         66   "!  44    Psi"    208   1   208   14   parsed_2nbd   1   
         67   
;
! 45 Phi
! 46 Phi
! 47 Phi
! 48 Phi
;
   211   1   214   10   parsed_2nbd   1   
         68   "!  48    Psi"    217   1   217   14   parsed_2nbd   1   
         69   "! 49 Phi"        220   1   220   10   parsed_2nbd   1   
         70   "!  49    Psi"    223   1   223   14   parsed_2nbd   1   
         71   "! 50 Phi"        226   1   226   10   parsed_2nbd   1   
         72   "!  50    Psi"    229   1   229   14   parsed_2nbd   1   
         73   "! 51 Phi"        232   1   232   10   parsed_2nbd   1   
         74   "!  51    Psi"    235   1   235   14   parsed_2nbd   1   
         75   "! 52 Phi"        238   1   238   10   parsed_2nbd   1   
         76   "!  52    Psi"    241   1   241   14   parsed_2nbd   1   
         77   
;
! 53 Phi
! 54 Phi
;
   244   1   245   10   parsed_2nbd   1   
         78   "!  54    Psi"    248   1   248   14   parsed_2nbd   1   
         79   "! 55 Phi"        251   1   251   10   parsed_2nbd   1   
         80   "!  55    Psi"    254   1   254   14   parsed_2nbd   1   
         81   "! 56 Phi"        257   1   257   10   parsed_2nbd   1   
         82   "!  56    Psi"    260   1   260   14   parsed_2nbd   1   
         83   "! 57 Phi"        263   1   263   10   parsed_2nbd   1   
         84   "!  57    Psi"    266   1   266   14   parsed_2nbd   1   
         85   "! 58 Phi"        269   1   269   10   parsed_2nbd   1   
         86   "!  58    Psi"    272   1   272   14   parsed_2nbd   1   
         87   "! 59 Phi"        275   1   275   10   parsed_2nbd   1   
         88   "!  59    Psi"    278   1   278   14   parsed_2nbd   1   
         89   
;
! 60 Phi
! 61 Phi
! 62 Phi
;
   281   1   283   10   parsed_2nbd   1   
         90   "!  62    Psi"    286   1   286   14   parsed_2nbd   1   
         91   
;
! 63 Phi
! 64 Phi
;
   289   1   290   10   parsed_2nbd   1   
         92   "!  64    Psi"    293   1   293   14   parsed_2nbd   1   
         93   
;
! 65 Phi
! 66 Phi
;
   296   1   297   10   parsed_2nbd   1   
         94   "!  66    Psi"    300   1   300   14   parsed_2nbd   1   
         95   "! 67 Phi"        303   1   303   10   parsed_2nbd   1   
         96   "!  67    Psi"    306   1   306   14   parsed_2nbd   1   
         97   "! 68 Phi"        309   1   309   10   parsed_2nbd   1   
         98   "!  68    Psi"    312   1   312   14   parsed_2nbd   1   
         99   "! 69 Phi"        315   1   315   10   parsed_2nbd   1   
        100   "!  69    Psi"    318   1   318   14   parsed_2nbd   1   
        101   "! 70 Phi"        321   1   321   10   parsed_2nbd   1   
        102   "!  70    Psi"    324   1   324   14   parsed_2nbd   1   
        103   "! 71 Phi"        327   1   327   10   parsed_2nbd   1   
        104   "!  71    Psi"    330   1   330   14   parsed_2nbd   1   
        105   "! 72 Phi"        333   1   333   10   parsed_2nbd   1   
        106   "!  72    Psi"    336   1   336   14   parsed_2nbd   1   
        107   
;
! 73 Phi
! 74 Phi
;
   339   1   340   10   parsed_2nbd   1   
        108   "!  74    Psi"    343   1   343   14   parsed_2nbd   1   
        109   
;
! 75 Phi
! 76 Phi
;
   346   1   347   10   parsed_2nbd   1   
    stop_

save_





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