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
616847 5x36 36052 cing 2-parsed STAR dihedral angle 67


data_5x36_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_5x36 
    _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_5x36   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_5x36 
    _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   5x36   "Master copy"    parsed_5x36   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_5x36 
    _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   5x36.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_5x36   1   
        1   5x36.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               2166   parsed_5x36   1   
        1   5x36.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"      67   parsed_5x36   1   
        1   5x36.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_5x36   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_5x36 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -136.8    -68.4   .   .    1   .   C    .    2   .   N    .    2   .   CA    .    2   .   C     parsed_5x36   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110.2    161.6   .   .    2   .   N    .    2   .   CA   .    2   .   C     .    3   .   N     parsed_5x36   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.2    -11.2   .   .    3   .   C    .    4   .   N    .    4   .   CA    .    4   .   C     parsed_5x36   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    106.4    154.6   .   .    4   .   N    .    4   .   CA   .    4   .   C     .    5   .   N     parsed_5x36   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     45.7     85.7   .   .    4   .   C    .    5   .   N    .    5   .   CA    .    5   .   C     parsed_5x36   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     -1.2     44.0   .   .    5   .   N    .    5   .   CA   .    5   .   C     .    6   .   N     parsed_5x36   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -98.7    -51.7   .   .    9   .   C    .   10   .   N    .   10   .   CA    .   10   .   C     parsed_5x36   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    125.0    198.4   .   .   10   .   N    .   10   .   CA   .   10   .   C     .   11   .   N     parsed_5x36   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -77.9    -37.9   .   .   10   .   C    .   11   .   N    .   11   .   CA    .   11   .   C     parsed_5x36   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.7    149.7   .   .   11   .   N    .   11   .   CA   .   11   .   C     .   12   .   N     parsed_5x36   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     61.0    113.8   .   .   11   .   C    .   12   .   N    .   12   .   CA    .   12   .   C     parsed_5x36   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -31.5     29.7   .   .   12   .   N    .   12   .   CA   .   12   .   C     .   13   .   N     parsed_5x36   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -113.5    -31.1   .   .   12   .   C    .   13   .   N    .   13   .   CA    .   13   .   C     parsed_5x36   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110.3    160.3   .   .   13   .   N    .   13   .   CA   .   13   .   C     .   14   .   N     parsed_5x36   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.5    -81.5   .   .   13   .   C    .   14   .   N    .   14   .   CA    .   14   .   C     parsed_5x36   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -38.9     34.5   .   .   14   .   N    .   14   .   CA   .   14   .   C     .   15   .   N     parsed_5x36   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -120.0    -43.8   .   .   17   .   C    .   18   .   N    .   18   .   CA    .   18   .   C     parsed_5x36   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.6    158.2   .   .   18   .   N    .   18   .   CA   .   18   .   C     .   19   .   N     parsed_5x36   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.8     -8.4   .   .   18   .   C    .   19   .   N    .   19   .   CA    .   19   .   C     parsed_5x36   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     78.0    196.4   .   .   19   .   N    .   19   .   CA   .   19   .   C     .   20   .   N     parsed_5x36   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -78.4    -38.4   .   .   20   .   C    .   21   .   N    .   21   .   CA    .   21   .   C     parsed_5x36   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    113.5    153.5   .   .   21   .   N    .   21   .   CA   .   21   .   C     .   22   .   N     parsed_5x36   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.1    110.1   .   .   21   .   C    .   22   .   N    .   22   .   CA    .   22   .   C     parsed_5x36   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -19.9     20.1   .   .   22   .   N    .   22   .   CA   .   22   .   C     .   23   .   N     parsed_5x36   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -148.6   -108.6   .   .   22   .   C    .   23   .   N    .   23   .   CA    .   23   .   C     parsed_5x36   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    136.2    176.2   .   .   23   .   N    .   23   .   CA   .   23   .   C     .   24   .   N     parsed_5x36   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -157.6   -100.4   .   .   23   .   C    .   24   .   N    .   24   .   CA    .   24   .   C     parsed_5x36   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    127.5    168.9   .   .   24   .   N    .   24   .   CA   .   24   .   C     .   25   .   N     parsed_5x36   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -91.1    -51.1   .   .   24   .   C    .   25   .   N    .   25   .   CA    .   25   .   C     parsed_5x36   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     98.2    164.4   .   .   25   .   N    .   25   .   CA   .   25   .   C     .   26   .   N     parsed_5x36   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -123.9    -55.5   .   .   25   .   C    .   26   .   N    .   26   .   CA    .   26   .   C     parsed_5x36   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104.9    162.1   .   .   26   .   N    .   26   .   CA   .   26   .   C     .   27   .   N     parsed_5x36   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0    -49.2   .   .   26   .   C    .   27   .   N    .   27   .   CA    .   27   .   C     parsed_5x36   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     94.3    167.1   .   .   27   .   N    .   27   .   CA   .   27   .   C     .   28   .   N     parsed_5x36   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -81.0    -41.0   .   .   29   .   C    .   30   .   N    .   30   .   CA    .   30   .   C     parsed_5x36   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -43.2     -3.2   .   .   30   .   N    .   30   .   CA   .   30   .   C     .   31   .   N     parsed_5x36   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -116.1    -76.1   .   .   30   .   C    .   31   .   N    .   31   .   CA    .   31   .   C     parsed_5x36   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -23.6     16.4   .   .   31   .   N    .   31   .   CA   .   31   .   C     .   32   .   N     parsed_5x36   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -92.3    -47.3   .   .   31   .   C    .   32   .   N    .   32   .   CA    .   32   .   C     parsed_5x36   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.7    155.7   .   .   32   .   N    .   32   .   CA   .   32   .   C     .   33   .   N     parsed_5x36   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.2    -88.0   .   .   32   .   C    .   33   .   N    .   33   .   CA    .   33   .   C     parsed_5x36   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111.2    155.8   .   .   33   .   N    .   33   .   CA   .   33   .   C     .   34   .   N     parsed_5x36   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153.2   -112.4   .   .   33   .   C    .   34   .   N    .   34   .   CA    .   34   .   C     parsed_5x36   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.2    168.2   .   .   34   .   N    .   34   .   CA   .   34   .   C     .   35   .   N     parsed_5x36   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -110.5    -59.5   .   .   34   .   C    .   35   .   N    .   35   .   CA    .   35   .   C     parsed_5x36   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    107.7    154.1   .   .   35   .   N    .   35   .   CA   .   35   .   C     .   36   .   N     parsed_5x36   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .    2   .   N    .    2   .   CA   .    2   .   CB    .    2   .   CG    parsed_5x36   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .    3   .   N    .    3   .   CA   .    3   .   CB    .    3   .   OG    parsed_5x36   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .    4   .   N    .    4   .   CA   .    4   .   CB    .    4   .   CG    parsed_5x36   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .    5   .   N    .    5   .   CA   .    5   .   CB    .    5   .   CG    parsed_5x36   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .    7   .   N    .    7   .   CA   .    7   .   CB    .    7   .   CG    parsed_5x36   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .    8   .   N    .    8   .   CA   .    8   .   CB    .    8   .   SG    parsed_5x36   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   11   .   N    .   11   .   CA   .   11   .   CB    .   11   .   CG1   parsed_5x36   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   11   .   CA   .   11   .   CB   .   11   .   CG1   .   11   .   CD1   parsed_5x36   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .   17   .   N    .   17   .   CA   .   17   .   CB    .   17   .   OG1   parsed_5x36   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   18   .   N    .   18   .   CA   .   18   .   CB    .   18   .   CG1   parsed_5x36   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .   23   .   N    .   23   .   CA   .   23   .   CB    .   23   .   OG1   parsed_5x36   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .   24   .   N    .   24   .   CA   .   24   .   CB    .   24   .   OG1   parsed_5x36   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   25   .   N    .   25   .   CA   .   25   .   CB    .   25   .   SG    parsed_5x36   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   26   .   N    .   26   .   CA   .   26   .   CB    .   26   .   CG    parsed_5x36   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   27   .   N    .   27   .   CA   .   27   .   CB    .   27   .   CG1   parsed_5x36   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   28   .   N    .   28   .   CA   .   28   .   CB    .   28   .   CG    parsed_5x36   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   28   .   CA   .   28   .   CB   .   28   .   CG    .   28   .   CD1   parsed_5x36   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   31   .   N    .   31   .   CA   .   31   .   CB    .   31   .   CG    parsed_5x36   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   32   .   N    .   32   .   CA   .   32   .   CB    .   32   .   CG    parsed_5x36   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   33   .   N    .   33   .   CA   .   33   .   CB    .   33   .   OG    parsed_5x36   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   34   .   N    .   34   .   CA   .   34   .   CB    .   34   .   CG    parsed_5x36   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   "2 Q -102.581  135.859   17.093   12.835    1.105 0.831 25 13 Strong"         2   1     2   73   parsed_5x36   1   
         2   
;
3 S -140.304  158.082   11.759    9.798    0.985 0.850 25 15 Strong
assign (resid    2 and name C    ) (resid    3 and name N    )
(resid    3 and name CA   ) (resid    3 and name C    )    1.0 -140.3   23.5 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
(resid    3 and name C    ) (resid    4 and name N    )    1.0  158.1   20.0 2
4 H  -74.704  130.501   31.749   12.064    1.092 0.851 25 15 Strong
;
     8   1    14   73   parsed_5x36   1   
         3   "5 Y   65.735   21.437    9.578   11.305    1.250 0.829 25 14 Strong"        20   1    20   73   parsed_5x36   1   
         4   "10 G  -75.169  161.688   11.748   18.332    1.288 0.804 25 13 Strong"       26   1    26   73   parsed_5x36   1   
         5   "11 I  -57.927  129.694    6.586    5.276    0.825 0.768 25 13 Strong"       32   1    32   73   parsed_5x36   1   
         6   "12 G   87.357   -0.856   13.183   15.275    0.627 0.728 25 14 Strong"       38   1    38   73   parsed_5x36   1   
         7   "13 Y  -72.324  135.334   20.625   12.477   -0.470 0.694 25 14 Strong"       44   1    44   73   parsed_5x36   1   
         8   "14 S -111.042   -2.209   14.762   18.342    1.104 0.684 25 14 Strong"       50   1    50   73   parsed_5x36   1   
         9   "18 V  -81.894  133.896   19.057   12.130    1.412 0.699 25 15 Strong"       56   1    56   73   parsed_5x36   1   
        10   "19 c  -82.071  137.177   24.579   19.726    1.779 0.792 10 15 Generous"     62   1    62   75   parsed_5x36   1   
        11   "21 S  -58.440  133.518    6.264    5.500    0.332 0.769 25 14 Strong"       68   1    68   73   parsed_5x36   1   
        12   "22 G   90.067    0.055    7.438    7.926    0.269 0.760 25 14 Strong"       74   1    74   73   parsed_5x36   1   
        13   "23 T -128.550  156.162    9.416    9.385    0.376 0.791 25 14 Strong"       80   1    80   73   parsed_5x36   1   
        14   "24 T -128.988  148.223   14.280   10.335    0.409 0.804 25 15 Strong"       86   1    86   73   parsed_5x36   1   
        15   "25 c  -71.110  131.342    7.699   16.550    0.546 0.809 25 15 Strong"       92   1    92   73   parsed_5x36   1   
        16   "26 Q  -89.732  133.479   17.113   14.315    0.552 0.800 25 15 Strong"       98   1    98   73   parsed_5x36   1   
        17   "27 V  -77.077  130.696   13.968   18.216    0.523 0.797 25 15 Strong"      104   1   104   73   parsed_5x36   1   
        18   "30 P  -61.018  -23.235    5.342    8.693    0.730 0.805 25 13 Strong"      110   1   110   73   parsed_5x36   1   
        19   "31 Y  -96.127   -3.638    9.655    9.630    0.678 0.819 25 13 Strong"      116   1   116   73   parsed_5x36   1   
        20   "32 Y  -69.788  135.710   11.248    6.785    0.860 0.849 25 15 Strong"      122   1   122   73   parsed_5x36   1   
        21   "33 S -116.581  133.495   14.275   11.154    0.924 0.879 25 15 Strong"      128   1   128   73   parsed_5x36   1   
        22   "34 Q -132.773  142.731   10.201   12.773    1.051 0.888 25 15 Strong"      134   1   134   73   parsed_5x36   1   
        23   "35 c  -85.010  130.870   12.767   11.597    1.454 0.886 25 15 Strong"      140   1   140   73   parsed_5x36   1   
        24   "2 Q Chi1 t  180+-30deg"                                                    146   1   146   28   parsed_5x36   1   
        25   "3 S Chi1 g+  60+-30deg"                                                    149   1   149   28   parsed_5x36   1   
        26   "4 H Chi1 t  180+-30deg"                                                    152   1   152   28   parsed_5x36   1   
        27   "5 Y Chi1 g- -60+-30deg"                                                    155   1   155   28   parsed_5x36   1   
        28   "7 Q Chi1 t  180+-30deg"                                                    158   1   158   28   parsed_5x36   1   
        29   "8 c Chi1 g+   60+-30deg"                                                   161   1   161   29   parsed_5x36   1   
        30   "11 I Chi1 g- -60+-30deg"                                                   164   1   164   28   parsed_5x36   1   
        31   "11 I Chi2 t  180+-30deg"                                                   167   1   167   28   parsed_5x36   1   
        32   "17 T Chi1 g+  60+-30deg"                                                   170   1   170   28   parsed_5x36   1   
        33   "18 V Chi1 t  180+-30deg"                                                   173   1   173   28   parsed_5x36   1   
        34   "23 T Chi1 g+  60+-30deg"                                                   176   1   176   28   parsed_5x36   1   
        35   "24 T Chi1 g+  60+-30deg"                                                   179   1   179   28   parsed_5x36   1   
        36   "25 c Chi1 t  180+-30deg"                                                   182   1   182   28   parsed_5x36   1   
        37   "26 Q Chi1 g- -60+-30deg"                                                   185   1   185   28   parsed_5x36   1   
        38   "27 V Chi1 t  180+-30deg"                                                   188   1   188   28   parsed_5x36   1   
        39   "28 L Chi1 g- -60+-30deg"                                                   191   1   191   28   parsed_5x36   1   
        40   "28 L Chi2 t  180+-30deg"                                                   194   1   194   28   parsed_5x36   1   
        41   "31 Y Chi1 g- -60+-30deg"                                                   197   1   197   28   parsed_5x36   1   
        42   "32 Y Chi1 t  180+-30deg"                                                   200   1   200   28   parsed_5x36   1   
        43   "33 S Chi1 g- -60+-30deg"                                                   203   1   203   28   parsed_5x36   1   
        44   "34 Q Chi1 t  180+-30deg"                                                   206   1   206   28   parsed_5x36   1   
    stop_


    loop_
        _TA_constraint_parse_err.ID 
        _TA_constraint_parse_err.Content 
        _TA_constraint_parse_err.Begin_line 
        _TA_constraint_parse_err.Begin_column 
        _TA_constraint_parse_err.End_line 
        _TA_constraint_parse_err.End_column 
        _TA_constraint_parse_err.Entry_ID 
        _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 

        1   "# Restraints file 2: talos.tbl"    1   1   1   30   parsed_5x36   1   
    stop_

save_





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