NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type item_count
53081 2orl cing 2-parsed STAR dihedral angle 39


data_2orl_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2orl 
    _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_2orl   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2orl 
    _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   2orl   "Master copy"    parsed_2orl   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2orl 
    _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   2orl.mr   .   .   "MR format"     1    comment                  "Not applicable"      "Not applicable"      0   parsed_2orl   1   
        1   2orl.mr   .   .    n/a            2    comment                  "Not applicable"      "Not applicable"      0   parsed_2orl   1   
        1   2orl.mr   .   .    XPLOR/CNS      3    distance                  NOE                   ambi                 4   parsed_2orl   1   
        1   2orl.mr   .   .    n/a            4    comment                  "Not applicable"      "Not applicable"      0   parsed_2orl   1   
        1   2orl.mr   .   .    XPLOR/CNS      5    distance                  NOE                   simple             906   parsed_2orl   1   
        1   2orl.mr   .   .    XPLOR/CNS      6    distance                 "general distance"     simple               1   parsed_2orl   1   
        1   2orl.mr   .   .    n/a            7    comment                  "Not applicable"      "Not applicable"      0   parsed_2orl   1   
        1   2orl.mr   .   .    XPLOR/CNS      8    distance                  NOE                   simple               8   parsed_2orl   1   
        1   2orl.mr   .   .    n/a            9    comment                  "Not applicable"      "Not applicable"      0   parsed_2orl   1   
        1   2orl.mr   .   .    XPLOR/CNS     10   "dihedral angle"          "Not applicable"      "Not applicable"     39   parsed_2orl   1   
        1   2orl.mr   .   .   "MR format"    11   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2orl   1   
    stop_

save_


save_CNS/XPLOR_dihedral_10
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2orl 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            10 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    10   .   N   .    10   .   CA   .    10   .   C   .    11   .   N   parsed_2orl   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    12   .   N   .    12   .   CA   .    12   .   C   .    13   .   N   parsed_2orl   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    13   .   N   .    13   .   CA   .    13   .   C   .    14   .   N   parsed_2orl   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    14   .   N   .    14   .   CA   .    14   .   C   .    15   .   N   parsed_2orl   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    15   .   N   .    15   .   CA   .    15   .   C   .    16   .   N   parsed_2orl   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    20   .   N   .    20   .   CA   .    20   .   C   .    21   .   N   parsed_2orl   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    21   .   N   .    21   .   CA   .    21   .   C   .    22   .   N   parsed_2orl   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    22   .   N   .    22   .   CA   .    22   .   C   .    23   .   N   parsed_2orl   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    55   .   N   .    55   .   CA   .    55   .   C   .    56   .   N   parsed_2orl   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    56   .   N   .    56   .   CA   .    56   .   C   .    57   .   N   parsed_2orl   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    57   .   N   .    57   .   CA   .    57   .   C   .    58   .   N   parsed_2orl   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    58   .   N   .    58   .   CA   .    58   .   C   .    59   .   N   parsed_2orl   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    59   .   N   .    59   .   CA   .    59   .   C   .    60   .   N   parsed_2orl   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    60   .   N   .    60   .   CA   .    60   .   C   .    61   .   N   parsed_2orl   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    66   .   N   .    66   .   CA   .    66   .   C   .    67   .   N   parsed_2orl   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    68   .   N   .    68   .   CA   .    68   .   C   .    69   .   N   parsed_2orl   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    69   .   N   .    69   .   CA   .    69   .   C   .    70   .   N   parsed_2orl   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    70   .   N   .    70   .   CA   .    70   .   C   .    71   .   N   parsed_2orl   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    71   .   N   .    71   .   CA   .    71   .   C   .    72   .   N   parsed_2orl   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    72   .   N   .    72   .   CA   .    72   .   C   .    73   .   N   parsed_2orl   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    73   .   N   .    73   .   CA   .    73   .   C   .    74   .   N   parsed_2orl   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    77   .   N   .    77   .   CA   .    77   .   C   .    78   .   N   parsed_2orl   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    78   .   N   .    78   .   CA   .    78   .   C   .    79   .   N   parsed_2orl   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    79   .   N   .    79   .   CA   .    79   .   C   .    80   .   N   parsed_2orl   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    93   .   N   .    93   .   CA   .    93   .   C   .    94   .   N   parsed_2orl   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    94   .   N   .    94   .   CA   .    94   .   C   .    95   .   N   parsed_2orl   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    95   .   N   .    95   .   CA   .    95   .   C   .    96   .   N   parsed_2orl   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    96   .   N   .    96   .   CA   .    96   .   C   .    97   .   N   parsed_2orl   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    97   .   N   .    97   .   CA   .    97   .   C   .    98   .   N   parsed_2orl   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    98   .   N   .    98   .   CA   .    98   .   C   .    99   .   N   parsed_2orl   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .    99   .   N   .    99   .   CA   .    99   .   C   .   100   .   N   parsed_2orl   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .   100   .   N   .   100   .   CA   .   100   .   C   .   101   .   N   parsed_2orl   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .   101   .   N   .   101   .   CA   .   101   .   C   .   102   .   N   parsed_2orl   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .   102   .   N   .   102   .   CA   .   102   .   C   .   103   .   N   parsed_2orl   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .   103   .   N   .   103   .   CA   .   103   .   C   .   104   .   N   parsed_2orl   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .   104   .   N   .   104   .   CA   .   104   .   C   .   105   .   N   parsed_2orl   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .   105   .   N   .   105   .   CA   .   105   .   C   .   106   .   N   parsed_2orl   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .   106   .   N   .   106   .   CA   .   106   .   C   .   107   .   N   parsed_2orl   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -40.0   -80.0   .   .   107   .   N   .   107   .   CA   .   107   .   C   .   108   .   N   parsed_2orl   1   
    stop_

save_





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