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
594985 2mxb 25396 cing 2-parsed STAR dihedral angle 90


data_2mxb_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mxb 
    _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_2mxb   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mxb 
    _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   2mxb   "Master copy"    parsed_2mxb   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mxb 
    _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   2mxb.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2mxb   1   
        1   2mxb.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"    "Not applicable"    90   parsed_2mxb   1   
        1   2mxb.mr   .   .   "MR format"    3    comment                  "Not applicable"    "Not applicable"     0   parsed_2mxb   1   
        1   2mxb.mr   .   .    XPLOR/CNS     4    distance                  NOE                 simple              0   parsed_2mxb   1   
        1   2mxb.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2mxb   1   
    stop_

save_


save_CNS/XPLOR_dihedral_2
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2mxb 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            2 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -248.00    16.00   .   .    2   .   C   .    3   .   N    .    3   .   CA   .    3   .   C   parsed_2mxb   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.21   -49.33   .   .    3   .   C   .    4   .   N    .    4   .   CA   .    4   .   C   parsed_2mxb   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -75.23   -39.87   .   .    4   .   C   .    5   .   N    .    5   .   CA   .    5   .   C   parsed_2mxb   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -87.00   -51.00   .   .    5   .   C   .    6   .   N    .    6   .   CA   .    6   .   C   parsed_2mxb   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -87.00   -51.00   .   .    6   .   C   .    7   .   N    .    7   .   CA   .    7   .   C   parsed_2mxb   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -101.00   -41.00   .   .    7   .   C   .    8   .   N    .    8   .   CA   .    8   .   C   parsed_2mxb   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -132.00   -36.00   .   .    8   .   C   .    9   .   N    .    9   .   CA   .    9   .   C   parsed_2mxb   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -108.00   -36.00   .   .    9   .   C   .   10   .   N    .   10   .   CA   .   10   .   C   parsed_2mxb   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -91.00   -51.00   .   .   10   .   C   .   11   .   N    .   11   .   CA   .   11   .   C   parsed_2mxb   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -142.90   -60.52   .   .   11   .   C   .   12   .   N    .   12   .   CA   .   12   .   C   parsed_2mxb   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -254.00    10.00   .   .   12   .   C   .   13   .   N    .   13   .   CA   .   13   .   C   parsed_2mxb   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -79.92   -44.86   .   .   14   .   C   .   15   .   N    .   15   .   CA   .   15   .   C   parsed_2mxb   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -76.68   -54.84   .   .   15   .   C   .   16   .   N    .   16   .   CA   .   16   .   C   parsed_2mxb   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -76.49   -59.01   .   .   16   .   C   .   17   .   N    .   17   .   CA   .   17   .   C   parsed_2mxb   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -81.07   -50.13   .   .   17   .   C   .   18   .   N    .   18   .   CA   .   18   .   C   parsed_2mxb   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.05   -53.15   .   .   18   .   C   .   19   .   N    .   19   .   CA   .   19   .   C   parsed_2mxb   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -66.60   -55.88   .   .   19   .   C   .   20   .   N    .   20   .   CA   .   20   .   C   parsed_2mxb   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -81.82   -48.02   .   .   20   .   C   .   21   .   N    .   21   .   CA   .   21   .   C   parsed_2mxb   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -77.10   -52.66   .   .   21   .   C   .   22   .   N    .   22   .   CA   .   22   .   C   parsed_2mxb   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -75.27   -51.81   .   .   22   .   C   .   23   .   N    .   23   .   CA   .   23   .   C   parsed_2mxb   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.53   -52.53   .   .   23   .   C   .   24   .   N    .   24   .   CA   .   24   .   C   parsed_2mxb   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -78.15   -55.03   .   .   24   .   C   .   25   .   N    .   25   .   CA   .   25   .   C   parsed_2mxb   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.97   -49.57   .   .   25   .   C   .   26   .   N    .   26   .   CA   .   26   .   C   parsed_2mxb   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -76.10   -50.66   .   .   26   .   C   .   27   .   N    .   27   .   CA   .   27   .   C   parsed_2mxb   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -80.57   -50.27   .   .   27   .   C   .   28   .   N    .   28   .   CA   .   28   .   C   parsed_2mxb   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.37   -56.75   .   .   28   .   C   .   29   .   N    .   29   .   CA   .   29   .   C   parsed_2mxb   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.25   -52.71   .   .   29   .   C   .   30   .   N    .   30   .   CA   .   30   .   C   parsed_2mxb   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.38   -55.76   .   .   30   .   C   .   31   .   N    .   31   .   CA   .   31   .   C   parsed_2mxb   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.82   -53.90   .   .   31   .   C   .   32   .   N    .   32   .   CA   .   32   .   C   parsed_2mxb   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.40   -54.38   .   .   32   .   C   .   33   .   N    .   33   .   CA   .   33   .   C   parsed_2mxb   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.04   -49.26   .   .   33   .   C   .   34   .   N    .   34   .   CA   .   34   .   C   parsed_2mxb   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.41   -57.07   .   .   34   .   C   .   35   .   N    .   35   .   CA   .   35   .   C   parsed_2mxb   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.16   -56.80   .   .   35   .   C   .   36   .   N    .   36   .   CA   .   36   .   C   parsed_2mxb   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -82.55   -45.97   .   .   36   .   C   .   37   .   N    .   37   .   CA   .   37   .   C   parsed_2mxb   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -75.55   -56.57   .   .   37   .   C   .   38   .   N    .   38   .   CA   .   38   .   C   parsed_2mxb   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.00   -56.04   .   .   38   .   C   .   39   .   N    .   39   .   CA   .   39   .   C   parsed_2mxb   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -83.87   -52.71   .   .   39   .   C   .   40   .   N    .   40   .   CA   .   40   .   C   parsed_2mxb   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -82.36   -55.66   .   .   40   .   C   .   41   .   N    .   41   .   CA   .   41   .   C   parsed_2mxb   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -79.92   -53.26   .   .   41   .   C   .   42   .   N    .   42   .   CA   .   42   .   C   parsed_2mxb   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -76.88   -54.74   .   .   42   .   C   .   43   .   N    .   43   .   CA   .   43   .   C   parsed_2mxb   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.64   -51.26   .   .   43   .   C   .   44   .   N    .   44   .   CA   .   44   .   C   parsed_2mxb   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.37   -52.65   .   .   44   .   C   .   45   .   N    .   45   .   CA   .   45   .   C   parsed_2mxb   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -117.42   -42.12   .   .   45   .   C   .   46   .   N    .   46   .   CA   .   46   .   C   parsed_2mxb   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -117.05   -58.39   .   .   46   .   C   .   47   .   N    .   47   .   CA   .   47   .   C   parsed_2mxb   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -158.00   -66.00   .   .   47   .   C   .   48   .   N    .   48   .   CA   .   48   .   C   parsed_2mxb   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     55.00   199.00   .   .    3   .   N   .    3   .   CA   .    3   .   C    .    4   .   N   parsed_2mxb   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    130.76   162.58   .   .    4   .   N   .    4   .   CA   .    4   .   C    .    5   .   N   parsed_2mxb   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -61.09    -5.03   .   .    5   .   N   .    5   .   CA   .    5   .   C    .    6   .   N   parsed_2mxb   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52.00   -12.00   .   .    6   .   N   .    6   .   CA   .    6   .   C    .    7   .   N   parsed_2mxb   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -53.00   -17.00   .   .    7   .   N   .    7   .   CA   .    7   .   C    .    8   .   N   parsed_2mxb   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -76.00    32.00   .   .    8   .   N   .    8   .   CA   .    8   .   C    .    9   .   N   parsed_2mxb   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.00    24.00   .   .    9   .   N   .    9   .   CA   .    9   .   C    .   10   .   N   parsed_2mxb   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -77.00    11.00   .   .   10   .   N   .   10   .   CA   .   10   .   C    .   11   .   N   parsed_2mxb   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.00    -3.00   .   .   11   .   N   .   11   .   CA   .   11   .   C    .   12   .   N   parsed_2mxb   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -41.91    40.77   .   .   12   .   N   .   12   .   CA   .   12   .   C    .   13   .   N   parsed_2mxb   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     84.96   172.40   .   .   14   .   N   .   14   .   CA   .   14   .   C    .   15   .   N   parsed_2mxb   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -56.72     3.60   .   .   15   .   N   .   15   .   CA   .   15   .   C    .   16   .   N   parsed_2mxb   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -53.20   -22.84   .   .   16   .   N   .   16   .   CA   .   16   .   C    .   17   .   N   parsed_2mxb   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -48.20   -20.80   .   .   17   .   N   .   17   .   CA   .   17   .   C    .   18   .   N   parsed_2mxb   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -56.07   -24.69   .   .   18   .   N   .   18   .   CA   .   18   .   C    .   19   .   N   parsed_2mxb   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -51.66   -39.06   .   .   19   .   N   .   19   .   CA   .   19   .   C    .   20   .   N   parsed_2mxb   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -43.83   -35.01   .   .   20   .   N   .   20   .   CA   .   20   .   C    .   21   .   N   parsed_2mxb   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52.95   -33.21   .   .   21   .   N   .   21   .   CA   .   21   .   C    .   22   .   N   parsed_2mxb   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -47.75   -33.27   .   .   22   .   N   .   22   .   CA   .   22   .   C    .   23   .   N   parsed_2mxb   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -60.78   -32.86   .   .   23   .   N   .   23   .   CA   .   23   .   C    .   24   .   N   parsed_2mxb   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -59.25   -17.47   .   .   24   .   N   .   24   .   CA   .   24   .   C    .   25   .   N   parsed_2mxb   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52.36   -36.06   .   .   25   .   N   .   25   .   CA   .   25   .   C    .   26   .   N   parsed_2mxb   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -53.78   -29.16   .   .   26   .   N   .   26   .   CA   .   26   .   C    .   27   .   N   parsed_2mxb   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -53.34   -31.14   .   .   27   .   N   .   27   .   CA   .   27   .   C    .   28   .   N   parsed_2mxb   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -55.48   -25.46   .   .   28   .   N   .   28   .   CA   .   28   .   C    .   29   .   N   parsed_2mxb   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.27   -36.39   .   .   29   .   N   .   29   .   CA   .   29   .   C    .   30   .   N   parsed_2mxb   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -57.13   -26.01   .   .   30   .   N   .   30   .   CA   .   30   .   C    .   31   .   N   parsed_2mxb   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.09   -21.15   .   .   31   .   N   .   31   .   CA   .   31   .   C    .   32   .   N   parsed_2mxb   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.77   -32.39   .   .   32   .   N   .   32   .   CA   .   32   .   C    .   33   .   N   parsed_2mxb   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -58.48   -32.38   .   .   33   .   N   .   33   .   CA   .   33   .   C    .   34   .   N   parsed_2mxb   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -49.75   -25.89   .   .   34   .   N   .   34   .   CA   .   34   .   C    .   35   .   N   parsed_2mxb   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -51.98   -33.64   .   .   35   .   N   .   35   .   CA   .   35   .   C    .   36   .   N   parsed_2mxb   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52.83   -37.21   .   .   36   .   N   .   36   .   CA   .   36   .   C    .   37   .   N   parsed_2mxb   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -60.97   -13.11   .   .   37   .   N   .   37   .   CA   .   37   .   C    .   38   .   N   parsed_2mxb   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -47.62   -28.32   .   .   38   .   N   .   38   .   CA   .   38   .   C    .   39   .   N   parsed_2mxb   1   
        81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -55.30   -29.24   .   .   39   .   N   .   39   .   CA   .   39   .   C    .   40   .   N   parsed_2mxb   1   
        82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -48.00   -30.98   .   .   40   .   N   .   40   .   CA   .   40   .   C    .   41   .   N   parsed_2mxb   1   
        83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -46.11   -28.13   .   .   41   .   N   .   41   .   CA   .   41   .   C    .   42   .   N   parsed_2mxb   1   
        84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -55.89   -19.99   .   .   42   .   N   .   42   .   CA   .   42   .   C    .   43   .   N   parsed_2mxb   1   
        85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52.91   -26.37   .   .   43   .   N   .   43   .   CA   .   43   .   C    .   44   .   N   parsed_2mxb   1   
        86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.93   -18.17   .   .   44   .   N   .   44   .   CA   .   44   .   C    .   45   .   N   parsed_2mxb   1   
        87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52.39    -9.07   .   .   45   .   N   .   45   .   CA   .   45   .   C    .   46   .   N   parsed_2mxb   1   
        88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -87.91    30.41   .   .   46   .   N   .   46   .   CA   .   46   .   C    .   47   .   N   parsed_2mxb   1   
        89   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.06    21.32   .   .   47   .   N   .   47   .   CA   .   47   .   C    .   48   .   N   parsed_2mxb   1   
        90   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     19.00   183.00   .   .   48   .   N   .   48   .   CA   .   48   .   C    .   49   .   N   parsed_2mxb   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   "1. E 3 Phi -116.00 +/- 132.00 (-248.00 to 16.00)"        1   1     1   51   parsed_2mxb   1   
         2   "2. P 4 Phi -61.27 +/- 11.94 (-73.22 to -49.33)"          6   1     6   49   parsed_2mxb   1   
         3   "3. A 5 Phi -57.55 +/- 17.68 (-75.23 to -39.87)"         11   1    11   49   parsed_2mxb   1   
         4   "4. S 6 Phi -69.00 +/- 18.00 (-87.00 to -51.00)"         16   1    16   49   parsed_2mxb   1   
         5   "5. L 7 Phi -69.00 +/- 18.00 (-87.00 to -51.00)"         21   1    21   49   parsed_2mxb   1   
         6   "6. L 8 Phi -71.00 +/- 30.00 (-101.00 to -41.00)"        26   1    26   50   parsed_2mxb   1   
         7   "7. T 9 Phi -84.00 +/- 48.00 (-132.00 to -36.00)"        31   1    31   50   parsed_2mxb   1   
         8   "8. A 10 Phi -72.00 +/- 36.00 (-108.00 to -36.00)"       36   1    36   51   parsed_2mxb   1   
         9   "9. S 11 Phi -71.00 +/- 20.00 (-91.00 to -51.00)"        41   1    41   50   parsed_2mxb   1   
        10   "10. D 12 Phi -101.71 +/- 41.19 (-142.90 to -60.52)"     46   1    46   53   parsed_2mxb   1   
        11   "11. L 13 Phi -122.00 +/- 132.00 (-254.00 to 10.00)"     51   1    51   53   parsed_2mxb   1   
        12   
;
12. D 14 Phi -78.17 +/- 39.09 (-117.26 to -39.08)
assign (resid  13 and name  C) (resid  14 and name  N)
(resid  14 and name CA) (resid  14 and name  C) 1.0   -78.17    39.09 2
13. P 15 Phi -62.39 +/- 17.53 (-79.91 to -44.86)
;
    56   1    61   51   parsed_2mxb   1   
        13   "14. L 16 Phi -65.76 +/- 10.92 (-76.68 to -54.84)"       66   1    66   51   parsed_2mxb   1   
        14   "15. I 17 Phi -67.75 +/- 8.74 (-76.49 to -59.01)"        71   1    71   50   parsed_2mxb   1   
        15   "16. L 18 Phi -65.60 +/- 15.47 (-81.07 to -50.13)"       76   1    76   51   parsed_2mxb   1   
        16   "17. T 19 Phi -61.10 +/- 7.95 (-69.05 to -53.14)"        81   1    81   50   parsed_2mxb   1   
        17   "18. L 20 Phi -61.24 +/- 5.36 (-66.59 to -55.88)"        86   1    86   50   parsed_2mxb   1   
        18   "19. S 21 Phi -64.92 +/- 16.90 (-81.82 to -48.01)"       91   1    91   51   parsed_2mxb   1   
        19   "20. L 22 Phi -64.88 +/- 12.22 (-77.09 to -52.66)"       96   1    96   51   parsed_2mxb   1   
        20   "21. I 23 Phi -63.54 +/- 11.73 (-75.27 to -51.80)"      101   1   101   51   parsed_2mxb   1   
        21   "22. L 24 Phi -62.53 +/- 10.00 (-72.53 to -52.53)"      106   1   106   51   parsed_2mxb   1   
        22   "23. V 25 Phi -66.59 +/- 11.56 (-78.15 to -55.03)"      111   1   111   51   parsed_2mxb   1   
        23   "24. L 26 Phi -59.77 +/- 10.20 (-69.97 to -49.56)"      116   1   116   51   parsed_2mxb   1   
        24   "25. I 27 Phi -63.38 +/- 12.72 (-76.10 to -50.65)"      121   1   121   51   parsed_2mxb   1   
        25   "26. S 28 Phi -65.42 +/- 15.15 (-80.57 to -50.26)"      126   1   126   51   parsed_2mxb   1   
        26   "27. L 29 Phi -64.56 +/- 7.81 (-72.37 to -56.75)"       131   1   131   50   parsed_2mxb   1   
        27   "28. L 30 Phi -62.98 +/- 10.27 (-73.25 to -52.71)"      136   1   136   51   parsed_2mxb   1   
        28   "29. L 31 Phi -63.07 +/- 7.31 (-70.38 to -55.76)"       141   1   141   50   parsed_2mxb   1   
        29   "30. T 32 Phi -62.86 +/- 8.96 (-71.82 to -53.90)"       146   1   146   50   parsed_2mxb   1   
        30   "31. V 33 Phi -61.89 +/- 7.51 (-69.40 to -54.39)"       151   1   151   50   parsed_2mxb   1   
        31   "32. L 34 Phi -58.65 +/- 9.39 (-68.05 to -49.26)"       156   1   156   50   parsed_2mxb   1   
        32   "33. A 35 Phi -63.74 +/- 6.67 (-70.41 to -57.08)"       161   1   161   50   parsed_2mxb   1   
        33   "34. L 36 Phi -63.98 +/- 7.18 (-71.16 to -56.81)"       166   1   166   50   parsed_2mxb   1   
        34   "35. L 37 Phi -64.26 +/- 18.29 (-82.55 to -45.97)"      171   1   171   51   parsed_2mxb   1   
        35   "36. S 38 Phi -66.06 +/- 9.49 (-75.55 to -56.57)"       176   1   176   50   parsed_2mxb   1   
        36   "37. H 39 Phi -64.52 +/- 8.48 (-73.00 to -56.05)"       181   1   181   50   parsed_2mxb   1   
        37   "38. R 40 Phi -68.29 +/- 15.58 (-83.88 to -52.71)"      186   1   186   51   parsed_2mxb   1   
        38   "39. R 41 Phi -69.01 +/- 13.35 (-82.36 to -55.66)"      191   1   191   51   parsed_2mxb   1   
        39   "40. T 42 Phi -66.59 +/- 13.33 (-79.92 to -53.27)"      196   1   196   51   parsed_2mxb   1   
        40   "41. L 43 Phi -65.81 +/- 11.07 (-76.87 to -54.74)"      201   1   201   51   parsed_2mxb   1   
        41   "42. Q 44 Phi -62.45 +/- 11.19 (-73.63 to -51.26)"      206   1   206   51   parsed_2mxb   1   
        42   "43. Q 45 Phi -71.51 +/- 18.86 (-90.37 to -52.65)"      211   1   211   51   parsed_2mxb   1   
        43   "44. K 46 Phi -79.77 +/- 37.65 (-117.42 to -42.12)"     216   1   216   52   parsed_2mxb   1   
        44   "45. I 47 Phi -87.72 +/- 29.33 (-117.05 to -58.40)"     221   1   221   52   parsed_2mxb   1   
        45   "46. W 48 Phi -112.00 +/- 46.00 (-158.00 to -66.00)"    226   1   226   53   parsed_2mxb   1   
        46   "47. E 3 Psi 127.00 +/- 72.00 (55.00 to 199.00)"        232   1   232   49   parsed_2mxb   1   
        47   "48. P 4 Psi 146.67 +/- 15.91 (130.76 to 162.58)"       237   1   237   50   parsed_2mxb   1   
        48   "49. A 5 Psi -33.06 +/- 28.03 (-61.09 to -5.04)"        242   1   242   49   parsed_2mxb   1   
        49   "50. S 6 Psi -32.00 +/- 20.00 (-52.00 to -12.00)"       247   1   247   50   parsed_2mxb   1   
        50   "51. L 7 Psi -35.00 +/- 18.00 (-53.00 to -17.00)"       252   1   252   50   parsed_2mxb   1   
        51   "52. L 8 Psi -22.00 +/- 54.00 (-76.00 to 32.00)"        257   1   257   49   parsed_2mxb   1   
        52   "53. T 9 Psi -24.00 +/- 48.00 (-72.00 to 24.00)"        262   1   262   49   parsed_2mxb   1   
        53   "54. A 10 Psi -33.00 +/- 44.00 (-77.00 to 11.00)"       267   1   267   50   parsed_2mxb   1   
        54   "55. S 11 Psi -37.00 +/- 34.00 (-71.00 to -3.00)"       272   1   272   50   parsed_2mxb   1   
        55   "56. D 12 Psi -0.57 +/- 41.34 (-41.91 to 40.76)"        277   1   277   49   parsed_2mxb   1   
        56   
;
57. L 13 Psi 127.00 +/- 54.00 (73.00 to 181.00)
assign (resid  13 and name  N) (resid  13 and name CA)
(resid  13 and name  C) (resid  14 and name  N) 1.0   127.00    54.00 2
58. D 14 Psi 128.68 +/- 43.72 (84.96 to 172.40)
;
   282   1   287   50   parsed_2mxb   1   
        57   "59. P 15 Psi -26.56 +/- 30.16 (-56.72 to 3.60)"        292   1   292   49   parsed_2mxb   1   
        58   "60. L 16 Psi -38.02 +/- 15.18 (-53.20 to -22.84)"      297   1   297   51   parsed_2mxb   1   
        59   "61. I 17 Psi -34.50 +/- 13.70 (-48.20 to -20.80)"      302   1   302   51   parsed_2mxb   1   
        60   "62. L 18 Psi -40.38 +/- 15.69 (-56.07 to -24.69)"      307   1   307   51   parsed_2mxb   1   
        61   "63. T 19 Psi -45.36 +/- 6.30 (-51.66 to -39.06)"       312   1   312   50   parsed_2mxb   1   
        62   "64. L 20 Psi -39.42 +/- 4.41 (-43.83 to -35.00)"       317   1   317   50   parsed_2mxb   1   
        63   "65. S 21 Psi -43.08 +/- 9.87 (-52.95 to -33.21)"       322   1   322   50   parsed_2mxb   1   
        64   "66. L 22 Psi -40.51 +/- 7.24 (-47.74 to -33.27)"       327   1   327   50   parsed_2mxb   1   
        65   "67. I 23 Psi -46.82 +/- 13.96 (-60.78 to -32.86)"      332   1   332   51   parsed_2mxb   1   
        66   "68. L 24 Psi -38.36 +/- 20.89 (-59.25 to -17.47)"      337   1   337   51   parsed_2mxb   1   
        67   "69. V 25 Psi -44.21 +/- 8.15 (-52.36 to -36.06)"       342   1   342   50   parsed_2mxb   1   
        68   "70. L 26 Psi -41.47 +/- 12.31 (-53.78 to -29.16)"      347   1   347   51   parsed_2mxb   1   
        69   "71. I 27 Psi -42.24 +/- 11.10 (-53.33 to -31.14)"      352   1   352   51   parsed_2mxb   1   
        70   "72. S 28 Psi -40.47 +/- 15.01 (-55.47 to -25.46)"      357   1   357   51   parsed_2mxb   1   
        71   "73. L 29 Psi -45.33 +/- 8.94 (-54.27 to -36.39)"       362   1   362   50   parsed_2mxb   1   
        72   "74. L 30 Psi -41.57 +/- 15.56 (-57.13 to -26.02)"      367   1   367   51   parsed_2mxb   1   
        73   "75. L 31 Psi -37.62 +/- 16.47 (-54.09 to -21.14)"      372   1   372   51   parsed_2mxb   1   
        74   "76. T 32 Psi -43.58 +/- 11.19 (-54.77 to -32.39)"      377   1   377   51   parsed_2mxb   1   
        75   "77. V 33 Psi -45.43 +/- 13.05 (-58.48 to -32.39)"      382   1   382   51   parsed_2mxb   1   
        76   "78. L 34 Psi -37.82 +/- 11.93 (-49.75 to -25.89)"      387   1   387   51   parsed_2mxb   1   
        77   "79. A 35 Psi -42.81 +/- 9.17 (-51.98 to -33.65)"       392   1   392   50   parsed_2mxb   1   
        78   "80. L 36 Psi -45.02 +/- 7.81 (-52.83 to -37.21)"       397   1   397   50   parsed_2mxb   1   
        79   "81. L 37 Psi -37.04 +/- 23.93 (-60.96 to -13.11)"      402   1   402   51   parsed_2mxb   1   
        80   "82. S 38 Psi -37.97 +/- 9.65 (-47.62 to -28.32)"       407   1   407   50   parsed_2mxb   1   
        81   "83. H 39 Psi -42.27 +/- 13.03 (-55.30 to -29.24)"      412   1   412   51   parsed_2mxb   1   
        82   "84. R 40 Psi -39.49 +/- 8.51 (-48.00 to -30.97)"       417   1   417   50   parsed_2mxb   1   
        83   "85. R 41 Psi -37.12 +/- 8.99 (-46.11 to -28.13)"       422   1   422   50   parsed_2mxb   1   
        84   "86. T 42 Psi -37.94 +/- 17.95 (-55.89 to -20.00)"      427   1   427   51   parsed_2mxb   1   
        85   "87. L 43 Psi -39.64 +/- 13.27 (-52.91 to -26.37)"      432   1   432   51   parsed_2mxb   1   
        86   "88. Q 44 Psi -36.55 +/- 18.38 (-54.93 to -18.18)"      437   1   437   51   parsed_2mxb   1   
        87   "89. Q 45 Psi -30.73 +/- 21.66 (-52.39 to -9.06)"       442   1   442   50   parsed_2mxb   1   
        88   "90. K 46 Psi -28.75 +/- 59.16 (-87.91 to 30.40)"       447   1   447   50   parsed_2mxb   1   
        89   "91. I 47 Psi -24.87 +/- 46.19 (-71.06 to 21.32)"       452   1   452   50   parsed_2mxb   1   
        90   "92. W 48 Psi 101.00 +/- 82.00 (19.00 to 183.00)"       457   1   457   50   parsed_2mxb   1   
    stop_

save_





Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Thursday, May 23, 2024 10:40:27 AM GMT (wattos1)