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
616863 5x38 36054 cing 2-parsed STAR dihedral angle 65


data_5x38_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_5x38 
    _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_5x38   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_5x38 
    _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   5x38   "Master copy"    parsed_5x38   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_5x38 
    _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   5x38.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_5x38   1   
        1   5x38.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               1824   parsed_5x38   1   
        1   5x38.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"      65   parsed_5x38   1   
        1   5x38.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_5x38   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_5x38 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -144.8    -66.0   .   .    1   .   C    .    2   .   N    .    2   .   CA    .    2   .   C     parsed_5x38   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    108.7    163.5   .   .    2   .   N    .    2   .   CA   .    2   .   C     .    3   .   N     parsed_5x38   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -116.9    -21.3   .   .    3   .   C    .    4   .   N    .    4   .   CA    .    4   .   C     parsed_5x38   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    107.2    154.8   .   .    4   .   N    .    4   .   CA   .    4   .   C     .    5   .   N     parsed_5x38   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     43.9     83.9   .   .    4   .   C    .    5   .   N    .    5   .   CA    .    5   .   C     parsed_5x38   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      0.1     47.3   .   .    5   .   N    .    5   .   CA   .    5   .   C     .    6   .   N     parsed_5x38   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -98.7    -51.7   .   .    9   .   C    .   10   .   N    .   10   .   CA    .   10   .   C     parsed_5x38   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    125.0    198.4   .   .   10   .   N    .   10   .   CA   .   10   .   C     .   11   .   N     parsed_5x38   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -78.0    -38.0   .   .   10   .   C    .   11   .   N    .   11   .   CA    .   11   .   C     parsed_5x38   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.9    149.9   .   .   11   .   N    .   11   .   CA   .   11   .   C     .   12   .   N     parsed_5x38   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     61.0    113.8   .   .   11   .   C    .   12   .   N    .   12   .   CA    .   12   .   C     parsed_5x38   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -31.5     29.7   .   .   12   .   N    .   12   .   CA   .   12   .   C     .   13   .   N     parsed_5x38   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -116.4    -30.2   .   .   12   .   C    .   13   .   N    .   13   .   CA    .   13   .   C     parsed_5x38   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    105.1    165.7   .   .   13   .   N    .   13   .   CA   .   13   .   C     .   14   .   N     parsed_5x38   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -141.0    -79.0   .   .   13   .   C    .   14   .   N    .   14   .   CA    .   14   .   C     parsed_5x38   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50.1     34.1   .   .   14   .   N    .   14   .   CA   .   14   .   C     .   15   .   N     parsed_5x38   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -113.0    -47.6   .   .   17   .   C    .   18   .   N    .   18   .   CA    .   18   .   C     parsed_5x38   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.0    155.6   .   .   18   .   N    .   18   .   CA   .   18   .   C     .   19   .   N     parsed_5x38   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -99.7    -39.7   .   .   18   .   C    .   19   .   N    .   19   .   CA    .   19   .   C     parsed_5x38   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    103.0    178.6   .   .   19   .   N    .   19   .   CA   .   19   .   C     .   20   .   N     parsed_5x38   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -77.7    -37.7   .   .   20   .   C    .   21   .   N    .   21   .   CA    .   21   .   C     parsed_5x38   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112.3    152.3   .   .   21   .   N    .   21   .   CA   .   21   .   C     .   22   .   N     parsed_5x38   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     60.8    120.8   .   .   21   .   C    .   22   .   N    .   22   .   CA    .   22   .   C     parsed_5x38   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -30.6     29.4   .   .   22   .   N    .   22   .   CA   .   22   .   C     .   23   .   N     parsed_5x38   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -149.4   -109.4   .   .   22   .   C    .   23   .   N    .   23   .   CA    .   23   .   C     parsed_5x38   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    136.0    176.0   .   .   23   .   N    .   23   .   CA   .   23   .   C     .   24   .   N     parsed_5x38   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.8    -99.2   .   .   23   .   C    .   24   .   N    .   24   .   CA    .   24   .   C     parsed_5x38   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    127.7    167.7   .   .   24   .   N    .   24   .   CA   .   24   .   C     .   25   .   N     parsed_5x38   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -91.1    -51.1   .   .   24   .   C    .   25   .   N    .   25   .   CA    .   25   .   C     parsed_5x38   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     98.2    164.4   .   .   25   .   N    .   25   .   CA   .   25   .   C     .   26   .   N     parsed_5x38   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -123.3    -56.1   .   .   25   .   C    .   26   .   N    .   26   .   CA    .   26   .   C     parsed_5x38   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    103.8    161.2   .   .   26   .   N    .   26   .   CA   .   26   .   C     .   27   .   N     parsed_5x38   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.8    -50.0   .   .   26   .   C    .   27   .   N    .   27   .   CA    .   27   .   C     parsed_5x38   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     94.7    164.5   .   .   27   .   N    .   27   .   CA   .   27   .   C     .   28   .   N     parsed_5x38   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -81.0    -41.0   .   .   29   .   C    .   30   .   N    .   30   .   CA    .   30   .   C     parsed_5x38   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -43.2     -3.2   .   .   30   .   N    .   30   .   CA   .   30   .   C     .   31   .   N     parsed_5x38   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -116.1    -76.1   .   .   30   .   C    .   31   .   N    .   31   .   CA    .   31   .   C     parsed_5x38   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -23.6     16.4   .   .   31   .   N    .   31   .   CA   .   31   .   C     .   32   .   N     parsed_5x38   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -92.3    -47.3   .   .   31   .   C    .   32   .   N    .   32   .   CA    .   32   .   C     parsed_5x38   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.7    155.7   .   .   32   .   N    .   32   .   CA   .   32   .   C     .   33   .   N     parsed_5x38   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -144.0    -88.0   .   .   32   .   C    .   33   .   N    .   33   .   CA    .   33   .   C     parsed_5x38   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112.1    153.9   .   .   33   .   N    .   33   .   CA   .   33   .   C     .   34   .   N     parsed_5x38   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153.2   -112.4   .   .   33   .   C    .   34   .   N    .   34   .   CA    .   34   .   C     parsed_5x38   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.2    168.2   .   .   34   .   N    .   34   .   CA   .   34   .   C     .   35   .   N     parsed_5x38   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -109.3    -59.1   .   .   34   .   C    .   35   .   N    .   35   .   CA    .   35   .   C     parsed_5x38   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    107.8    154.2   .   .   35   .   N    .   35   .   CA   .   35   .   C     .   36   .   N     parsed_5x38   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .    2   .   N    .    2   .   CA   .    2   .   CB    .    2   .   CG    parsed_5x38   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .    4   .   N    .    4   .   CA   .    4   .   CB    .    4   .   CG    parsed_5x38   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .    7   .   N    .    7   .   CA   .    7   .   CB    .    7   .   CG    parsed_5x38   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .    8   .   N    .    8   .   CA   .    8   .   CB    .    8   .   SG    parsed_5x38   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   11   .   N    .   11   .   CA   .   11   .   CB    .   11   .   CG1   parsed_5x38   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   11   .   CA   .   11   .   CB   .   11   .   CG1   .   11   .   CD1   parsed_5x38   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   13   .   N    .   13   .   CA   .   13   .   CB    .   13   .   CG    parsed_5x38   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .   17   .   N    .   17   .   CA   .   17   .   CB    .   17   .   OG1   parsed_5x38   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   18   .   N    .   18   .   CA   .   18   .   CB    .   18   .   CG1   parsed_5x38   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   19   .   N    .   19   .   CA   .   19   .   CB    .   19   .   SG    parsed_5x38   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .   23   .   N    .   23   .   CA   .   23   .   CB    .   23   .   OG1   parsed_5x38   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .   24   .   N    .   24   .   CA   .   24   .   CB    .   24   .   OG1   parsed_5x38   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   25   .   N    .   25   .   CA   .   25   .   CB    .   25   .   SG    parsed_5x38   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   26   .   N    .   26   .   CA   .   26   .   CB    .   26   .   CG    parsed_5x38   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   27   .   N    .   27   .   CA   .   27   .   CB    .   27   .   CG1   parsed_5x38   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   28   .   N    .   28   .   CA   .   28   .   CB    .   28   .   CG    parsed_5x38   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   31   .   N    .   31   .   CA   .   31   .   CB    .   31   .   CG    parsed_5x38   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   32   .   N    .   32   .   CA   .   32   .   CB    .   32   .   CG    parsed_5x38   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   33   .   N    .   33   .   CA   .   33   .   CB    .   33   .   OG    parsed_5x38   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 -105.362  136.115   19.710   13.701    1.141 0.810 25 13 Strong"         3   1     3   73   parsed_5x38   1   
         2   
;
3 S -141.084  158.349   11.730   10.433    0.984 0.835 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 -141.1   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  158.3   20.9 2
4 H  -69.115  130.995   23.903   11.898    1.071 0.835 25 15 Strong
;
     9   1    15   73   parsed_5x38   1   
         3   "5 Y   63.934   23.716    9.574   11.775    1.268 0.807 25 14 Strong"        21   1    21   73   parsed_5x38   1   
         4   "10 G  -75.169  161.688   11.748   18.332    1.281 0.804 25 13 Strong"       27   1    27   73   parsed_5x38   1   
         5   "11 I  -57.972  129.928    6.606    5.238    0.816 0.767 25 13 Strong"       33   1    33   73   parsed_5x38   1   
         6   "12 G   87.357   -0.856   13.183   15.275    0.621 0.729 25 14 Strong"       39   1    39   73   parsed_5x38   1   
         7   "13 Y  -73.319  135.387   21.551   15.135   -0.682 0.697 25 14 Strong"       45   1    45   73   parsed_5x38   1   
         8   "14 S -110.010   -7.961   15.504   21.070    1.084 0.691 25 14 Strong"       51   1    51   73   parsed_5x38   1   
         9   "18 V  -80.310  135.270   16.370   10.174    0.835 0.687 25 15 Strong"       57   1    57   73   parsed_5x38   1   
        10   "19 c  -69.684  140.811    9.015   12.594    0.666 0.785 10 15 Generous"     63   1    63   75   parsed_5x38   1   
        11   "21 S  -57.678  132.288    5.682    6.112    0.290 0.767 25 14 Strong"       69   1    69   73   parsed_5x38   1   
        12   "22 G   90.801   -0.604    6.608    7.365    0.241 0.757 10 14 Generous"     75   1    75   75   parsed_5x38   1   
        13   "23 T -129.372  155.996    9.569    9.376    0.374 0.789 25 14 Strong"       81   1    81   73   parsed_5x38   1   
        14   "24 T -127.507  147.660   14.127   10.016    0.410 0.800 25 15 Strong"       87   1    87   73   parsed_5x38   1   
        15   "25 c  -71.110  131.342    7.699   16.550    0.547 0.809 25 15 Strong"       93   1    93   73   parsed_5x38   1   
        16   "26 Q  -89.714  132.455   16.798   14.327    0.554 0.801 25 15 Strong"       99   1    99   73   parsed_5x38   1   
        17   "27 V  -77.883  129.552   13.948   17.433    0.519 0.798 25 15 Strong"      105   1   105   73   parsed_5x38   1   
        18   "30 P  -61.018  -23.235    5.342    8.693    0.726 0.807 25 13 Strong"      111   1   111   73   parsed_5x38   1   
        19   "31 Y  -96.127   -3.638    9.655    9.630    0.675 0.821 25 13 Strong"      117   1   117   73   parsed_5x38   1   
        20   "32 Y  -69.788  135.710   11.248    6.785    0.856 0.849 25 15 Strong"      123   1   123   73   parsed_5x38   1   
        21   "33 S -116.029  133.017   13.984   10.449    0.914 0.878 25 15 Strong"      129   1   129   73   parsed_5x38   1   
        22   "34 Q -132.773  142.731   10.201   12.773    1.040 0.887 25 15 Strong"      135   1   135   73   parsed_5x38   1   
        23   "35 c  -84.215  130.998   12.562   11.603    1.437 0.884 25 15 Strong"      141   1   141   73   parsed_5x38   1   
        24   "2 Q Chi1 t  180+-30deg"                                                    147   1   147   28   parsed_5x38   1   
        25   "4 H Chi1 t  180+-30deg"                                                    150   1   150   28   parsed_5x38   1   
        26   "7 Q Chi1 t  180+-30deg"                                                    153   1   153   28   parsed_5x38   1   
        27   "8 c Chi1 g+   60+-30deg"                                                   156   1   156   29   parsed_5x38   1   
        28   "11 I Chi1 g- -60+-30deg"                                                   159   1   159   28   parsed_5x38   1   
        29   "11 I Chi2 t  180+-30deg"                                                   162   1   162   28   parsed_5x38   1   
        30   "13 Y Chi1 t  180+-30deg"                                                   165   1   165   28   parsed_5x38   1   
        31   "17 T Chi1 g+  60+-30deg"                                                   168   1   168   28   parsed_5x38   1   
        32   "18 V Chi1 t  180+-30deg"                                                   171   1   171   28   parsed_5x38   1   
        33   "19 c Chi1 g- -60+-30deg"                                                   174   1   174   28   parsed_5x38   1   
        34   "23 T Chi1 g+  60+-30deg"                                                   177   1   177   28   parsed_5x38   1   
        35   "24 T Chi1 g+  60+-30deg"                                                   180   1   180   28   parsed_5x38   1   
        36   "25 c Chi1 t  180+-30deg"                                                   183   1   183   28   parsed_5x38   1   
        37   "26 Q Chi1 g- -60+-30deg"                                                   186   1   186   28   parsed_5x38   1   
        38   "27 V Chi1 t  180+-30deg"                                                   189   1   189   28   parsed_5x38   1   
        39   "28 L Chi1 g- -60+-30deg"                                                   192   1   192   28   parsed_5x38   1   
        40   "31 Y Chi1 g- -60+-30deg"                                                   195   1   195   28   parsed_5x38   1   
        41   "32 Y Chi1 t  180+-30deg"                                                   198   1   198   28   parsed_5x38   1   
        42   "33 S Chi1 g- -60+-30deg"                                                   201   1   201   28   parsed_5x38   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_5x38   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. Friday, May 3, 2024 10:43:49 PM GMT (wattos1)