NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord stage program type item_count
33018 1ho0 cing recoord 2-parsed STAR dihedral angle 39


data_1ho0_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1ho0 
    _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_1ho0   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1ho0 
    _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   1ho0   "Master copy"    parsed_1ho0   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1ho0 
    _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   1ho0.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1ho0   1   
        1   1ho0.mr   .   .    n/a           2    comment                  "Not applicable"    "Not applicable"      0   parsed_1ho0   1   
        1   1ho0.mr   .   .    DISCOVER      3    distance                 "hydrogen bond"      simple               4   parsed_1ho0   1   
        1   1ho0.mr   .   .    DISCOVER      4    distance                  NOE                 simple             243   parsed_1ho0   1   
        1   1ho0.mr   .   .    n/a           5    comment                  "Not applicable"    "Not applicable"      0   parsed_1ho0   1   
        1   1ho0.mr   .   .    DISCOVER      6   "dihedral angle"          "Not applicable"    "Not applicable"     39   parsed_1ho0   1   
        1   1ho0.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1ho0   1   
    stop_

save_


save_Discover_dihedral_6
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1ho0 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            6 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1    1   PHEN   CA   1    1   PHEN   C   1    2   VAL    N    1    2   VAL    CA   parsed_1ho0   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1    2   VAL    CA   1    2   VAL    C   1    3   ASN    N    1    3   ASN    CA   parsed_1ho0   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1    3   ASN    CA   1    3   ASN    C   1    4   GLN    N    1    4   GLN    CA   parsed_1ho0   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1    4   GLN    CA   1    4   GLN    C   1    5   HIS+   N    1    5   HIS+   CA   parsed_1ho0   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1    5   HIS+   CA   1    5   HIS+   C   1    6   LEU    N    1    6   LEU    CA   parsed_1ho0   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1    6   LEU    CA   1    6   LEU    C   1    7   SER    N    1    7   SER    CA   parsed_1ho0   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1    7   SER    CA   1    7   SER    C   1    8   GLY    N    1    8   GLY    CA   parsed_1ho0   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1    8   GLY    CA   1    8   GLY    C   1    9   SER    N    1    9   SER    CA   parsed_1ho0   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1    9   SER    CA   1    9   SER    C   1   10   HIS+   N    1   10   HIS+   CA   parsed_1ho0   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   10   HIS+   CA   1   10   HIS+   C   1   11   LEU    N    1   11   LEU    CA   parsed_1ho0   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   11   LEU    CA   1   11   LEU    C   1   12   VAL    N    1   12   VAL    CA   parsed_1ho0   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   12   VAL    CA   1   12   VAL    C   1   13   GLU    N    1   13   GLU    CA   parsed_1ho0   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   13   GLU    CA   1   13   GLU    C   1   14   ALA    N    1   14   ALA    CA   parsed_1ho0   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   14   ALA    CA   1   14   ALA    C   1   15   LEU    N    1   15   LEU    CA   parsed_1ho0   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   15   LEU    CA   1   15   LEU    C   1   16   TYR    N    1   16   TYR    CA   parsed_1ho0   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   16   TYR    CA   1   16   TYR    C   1   17   LEU    N    1   17   LEU    CA   parsed_1ho0   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   17   LEU    CA   1   17   LEU    C   1   18   VAL    N    1   18   VAL    CA   parsed_1ho0   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   18   VAL    CA   1   18   VAL    C   1   19   SER    N    1   19   SER    CA   parsed_1ho0   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   19   SER    CA   1   19   SER    C   1   20   GLY    N    1   20   GLY    CA   parsed_1ho0   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   20   GLY    CA   1   20   GLY    C   1   21   GLU    N    1   21   GLU    CA   parsed_1ho0   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   21   GLU    CA   1   21   GLU    C   1   22   ARG+   N    1   22   ARG+   CA   parsed_1ho0   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   22   ARG+   CA   1   22   ARG+   C   1   23   GLY    N    1   23   GLY    CA   parsed_1ho0   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   23   GLY    CA   1   23   GLY    C   1   24   PHE    N    1   24   PHE    CA   parsed_1ho0   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   24   PHE    CA   1   24   PHE    C   1   25   PHE    N    1   25   PHE    CA   parsed_1ho0   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   25   PHE    CA   1   25   PHE    C   1   26   TYR    N    1   26   TYR    CA   parsed_1ho0   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   26   TYR    CA   1   26   TYR    C   1   27   THR    N    1   27   THR    CA   parsed_1ho0   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   28   PRO    CA   1   28   PRO    C   1   29   LYS+   N    1   29   LYS+   CA   parsed_1ho0   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   180.000   180.000   .   1   29   LYS+   CA   1   29   LYS+   C   1   30   ALAC   N    1   30   ALAC   CA   parsed_1ho0   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -80.000   -40.000   .   1    8   GLY    C    1    9   SER    N   1    9   SER    CA   1    9   SER    C    parsed_1ho0   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -80.000   -40.000   .   1    9   SER    C    1   10   HIS+   N   1   10   HIS+   CA   1   10   HIS+   C    parsed_1ho0   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -80.000   -40.000   .   1   10   HIS+   C    1   11   LEU    N   1   11   LEU    CA   1   11   LEU    C    parsed_1ho0   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -80.000   -40.000   .   1   11   LEU    C    1   12   VAL    N   1   12   VAL    CA   1   12   VAL    C    parsed_1ho0   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -80.000   -40.000   .   1   12   VAL    C    1   13   GLU    N   1   13   GLU    CA   1   13   GLU    C    parsed_1ho0   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -80.000   -40.000   .   1   13   GLU    C    1   14   ALA    N   1   14   ALA    CA   1   14   ALA    C    parsed_1ho0   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -80.000   -40.000   .   1   14   ALA    C    1   15   LEU    N   1   15   LEU    CA   1   15   LEU    C    parsed_1ho0   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -80.000   -40.000   .   1   15   LEU    C    1   16   TYR    N   1   16   TYR    CA   1   16   TYR    C    parsed_1ho0   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -80.000   -40.000   .   1   16   TYR    C    1   17   LEU    N   1   17   LEU    CA   1   17   LEU    C    parsed_1ho0   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -80.000   -40.000   .   1   17   LEU    C    1   18   VAL    N   1   18   VAL    CA   1   18   VAL    C    parsed_1ho0   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -80.000   -40.000   .   1   18   VAL    C    1   19   SER    N   1   19   SER    CA   1   19   SER    C    parsed_1ho0   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   NMR_dihedral   1   1   1   13   parsed_1ho0   1   
    stop_

save_





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