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
29248 1ao9 cing 2-parsed STAR dihedral angle 36


data_1ao9_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1ao9 
    _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_1ao9   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1ao9 
    _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   1ao9   "Master copy"    parsed_1ao9   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1ao9 
    _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   1ao9.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1ao9   1   
        1   1ao9.mr   .   .    DISCOVER      2    distance                 "hydrogen bond"      simple              27   parsed_1ao9   1   
        1   1ao9.mr   .   .    DISCOVER      3    distance                  NOE                 simple             111   parsed_1ao9   1   
        1   1ao9.mr   .   .    DISCOVER      4   "dihedral angle"          "Not applicable"    "Not applicable"     36   parsed_1ao9   1   
        1   1ao9.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1ao9   1   
    stop_

save_


save_Discover_dihedral_4
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1ao9 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    130    155   .   1   1   G5'   C5'   1   1   G5'   C4'   1   1   G5'   C3'   1   1   G5'   O3'   parsed_1ao9   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    130    152   .   1   2   A     C5'   1   2   A     C4'   1   2   A     C3'   1   2   A     O3'   parsed_1ao9   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    130    155   .   1   3   G     C5'   1   3   G     C4'   1   3   G     C3'   1   3   G     O3'   parsed_1ao9   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    130    155   .   1   4   A     C5'   1   4   A     C4'   1   4   A     C3'   1   4   A     O3'   parsed_1ao9   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    132    155   .   1   5   G     C5'   1   5   G     C4'   1   5   G     C3'   1   5   G     O3'   parsed_1ao9   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    129    160   .   1   6   A3'   C5'   1   6   A3'   C4'   1   6   A3'   C3'   1   6   A3'   O3'   parsed_1ao9   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    130    158   .   B   1   T5'   C5'   B   1   T5'   C4'   B   1   T5'   C3'   B   1   T5'   O3'   parsed_1ao9   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    130    155   .   B   2   C     C5'   B   2   C     C4'   B   2   C     C3'   B   2   C     O3'   parsed_1ao9   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120    152   .   B   3   T     C5'   B   3   T     C4'   B   3   T     C3'   B   3   T     O3'   parsed_1ao9   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    105    142   .   B   4   C     C5'   B   4   C     C4'   B   4   C     C3'   B   4   C     O3'   parsed_1ao9   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    130    156   .   B   5   T     C5'   B   5   T     C4'   B   5   T     C3'   B   5   T     O3'   parsed_1ao9   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110    160   .   B   6   C3'   C5'   B   6   C3'   C4'   B   6   C3'   C3'   B   6   C3'   O3'   parsed_1ao9   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -130   -115   .   1   1   G5'   O4'   1   1   G5'   C1'   1   1   G5'   N9    1   1   G5'   C4    parsed_1ao9   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125   -110   .   1   2   A     O4'   1   2   A     C1'   1   2   A     N9    1   2   A     C4    parsed_1ao9   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -120   -110   .   1   3   G     O4'   1   3   G     C1'   1   3   G     N9    1   3   G     C4    parsed_1ao9   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125   -115   .   1   4   A     O4'   1   4   A     C1'   1   4   A     N9    1   4   A     C4    parsed_1ao9   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -130   -115   .   1   5   G     O4'   1   5   G     C1'   1   5   G     N9    1   5   G     C4    parsed_1ao9   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -130   -115   .   1   6   A3'   O4'   1   6   A3'   C1'   1   6   A3'   N9    1   6   A3'   C4    parsed_1ao9   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -131   -115   .   B   1   T5'   O4'   B   1   T5'   C1'   B   1   T5'   N1    B   1   T5'   C2    parsed_1ao9   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133   -119   .   B   2   C     O4'   B   2   C     C1'   B   2   C     N1    B   2   C     C2    parsed_1ao9   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -130   -115   .   B   3   T     O4'   B   3   T     C1'   B   3   T     N1    B   3   T     C2    parsed_1ao9   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -130   -115   .   B   4   C     O4'   B   4   C     C1'   B   4   C     N1    B   4   C     C2    parsed_1ao9   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -126   -110   .   B   5   T     O4'   B   5   T     C1'   B   5   T     N1    B   5   T     C2    parsed_1ao9   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -137   -110   .   B   6   C3'   O4'   B   6   C3'   C1'   B   6   C3'   N1    B   6   C3'   C2    parsed_1ao9   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20    100   .   1   1   G5'   O5'   1   1   G5'   C5'   1   1   G5'   C4'   1   1   G5'   C3'   parsed_1ao9   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20    100   .   1   2   A     O5'   1   2   A     C5'   1   2   A     C4'   1   2   A     C3'   parsed_1ao9   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20    100   .   1   3   G     O5'   1   3   G     C5'   1   3   G     C4'   1   3   G     C3'   parsed_1ao9   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20    100   .   1   4   A     O5'   1   4   A     C5'   1   4   A     C4'   1   4   A     C3'   parsed_1ao9   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20    100   .   1   5   G     O5'   1   5   G     C5'   1   5   G     C4'   1   5   G     C3'   parsed_1ao9   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20    100   .   1   6   A3'   O5'   1   6   A3'   C5'   1   6   A3'   C4'   1   6   A3'   C3'   parsed_1ao9   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20    100   .   B   1   T5'   O5'   B   1   T5'   C5'   B   1   T5'   C4'   B   1   T5'   C3'   parsed_1ao9   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20    100   .   B   2   C     O5'   B   2   C     C5'   B   2   C     C4'   B   2   C     C3'   parsed_1ao9   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20    100   .   B   3   T     O5'   B   3   T     C5'   B   3   T     C4'   B   3   T     C3'   parsed_1ao9   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20    100   .   B   4   C     O5'   B   4   C     C5'   B   4   C     C4'   B   4   C     C3'   parsed_1ao9   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20    100   .   B   5   T     O5'   B   5   T     C5'   B   5   T     C4'   B   5   T     C3'   parsed_1ao9   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20    100   .   B   6   C3'   O5'   B   6   C3'   C5'   B   6   C3'   C4'   B   6   C3'   C3'   parsed_1ao9   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

DELTA
;
    1   1    3   64   parsed_1ao9   1   
        2    CHI     17   1   18   64   parsed_1ao9   1   
        3    GAMMA   32   1   33    8   parsed_1ao9   1   
    stop_

save_





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