NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage program type item_count
35360 1ld5 5381 cing recoord 2-parsed STAR dihedral angle 15


data_1ld5_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1ld5 
    _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_1ld5   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1ld5 
    _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   1ld5   "Master copy"    parsed_1ld5   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1ld5 
    _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   1ld5.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1ld5   1   
        1   1ld5.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               162   parsed_1ld5   1   
        1   1ld5.mr   .   .    XPLOR/CNS     3    distance                  NOE                 simple             890   parsed_1ld5   1   
        1   1ld5.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"     15   parsed_1ld5   1   
        1   1ld5.mr   .   .    XPLOR/CNS     5    distance                 "hydrogen bond"      simple               0   parsed_1ld5   1   
        1   1ld5.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1ld5   1   
    stop_

save_


save_CNS/XPLOR_dihedral_4
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1ld5 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            4 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     15.0   105.0   .   .    4   .   n   .    4   .   ca   .    4   .   cb   .    4   .   cg   parsed_1ld5   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -15.0   .   .   14   .   n   .   14   .   ca   .   14   .   cb   .   14   .   sg   parsed_1ld5   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -15.0   .   .   20   .   n   .   20   .   ca   .   20   .   cb   .   20   .   cg   parsed_1ld5   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     15.0   105.0   .   .   22   .   n   .   22   .   ca   .   22   .   cb   .   22   .   cg   parsed_1ld5   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    135.0   225.0   .   .   23   .   n   .   23   .   ca   .   23   .   cb   .   23   .   cg   parsed_1ld5   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    135.0   225.0   .   .   24   .   n   .   24   .   ca   .   24   .   cb   .   24   .   cg   parsed_1ld5   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -15.0   .   .   30   .   n   .   30   .   ca   .   30   .   cb   .   30   .   sg   parsed_1ld5   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -15.0   .   .   31   .   n   .   31   .   ca   .   31   .   cb   .   31   .   cg   parsed_1ld5   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     15.0   105.0   .   .   33   .   n   .   33   .   ca   .   33   .   cb   .   33   .   cg   parsed_1ld5   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    135.0   225.0   .   .   35   .   n   .   35   .   ca   .   35   .   cb   .   35   .   cg   parsed_1ld5   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -15.0   .   .   41   .   n   .   41   .   ca   .   41   .   cb   .   41   .   cg   parsed_1ld5   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    135.0   225.0   .   .   43   .   n   .   43   .   ca   .   43   .   cb   .   43   .   cg   parsed_1ld5   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0   -15.0   .   .   45   .   n   .   45   .   ca   .   45   .   cb   .   45   .   cg   parsed_1ld5   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     15.0   105.0   .   .   47   .   n   .   47   .   ca   .   47   .   cb   .   47   .   og   parsed_1ld5   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    135.0   225.0   .   .   51   .   n   .   51   .   ca   .   51   .   cb   .   51   .   sg   parsed_1ld5   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   "!Phe-4    +60"      1   1    1   15   parsed_1ld5   1   
         2   "!Cys-14   -60"      4   1    4   15   parsed_1ld5   1   
         3   "!Arg-20   -60"      7   1    7   15   parsed_1ld5   1   
         4   "!Phe-22   +60"     10   1   10   15   parsed_1ld5   1   
         5   "!Tyr-23   +180"    13   1   13   16   parsed_1ld5   1   
         6   "!Asn-24   +180"    16   1   16   16   parsed_1ld5   1   
         7   "!Cys-30   -60"     19   1   19   15   parsed_1ld5   1   
         8   "!Gln-31   -60"     22   1   22   15   parsed_1ld5   1   
         9   "!Phe-33   +60"     25   1   25   15   parsed_1ld5   1   
        10   "!Tyr-35   +180"    28   1   28   16   parsed_1ld5   1   
        11   "!Lys-41   -60"     31   1   31   15   parsed_1ld5   1   
        12   "!Asn-43   +180"    34   1   34   16   parsed_1ld5   1   
        13   "!Phe-45   -60"     37   1   37   15   parsed_1ld5   1   
        14   "!Ser-47   +60"     40   1   40   15   parsed_1ld5   1   
        15   "!Cys-51   +180"    43   1   43   16   parsed_1ld5   1   
    stop_

save_





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