data_7012 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7012 _Entry.Title ; Solution structure of 55-72 segment of staphylococcal nuclease ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-28 _Entry.Accession_date 2006-02-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Wang . . . 7012 2 L. Shan . . . 7012 3 J. Wang . F. . 7012 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7012 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 57 7012 '1H chemical shifts' 108 7012 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2006-09-07 . original author 'original release' 7012 1 . . 2007-11-16 . update BMRB 'complete entry citation' 7012 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7011 '13-mer peptide (97-109) segment of staphylococcal nuclease' 7012 PDB 2FXY 'BMRB Entry Tracking System' 7012 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7012 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16767771 _Citation.Full_citation . _Citation.Title ; Two peptide fragments G55-I72 and K97-A109 from staphylococcal nuclease exhibit different behaviors in conformational preferences for helix formation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biopolymers _Citation.Journal_name_full . _Citation.Journal_volume 83 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 268 _Citation.Page_last 279 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Wang . . . 7012 1 2 L. Shan . . . 7012 1 3 J. Wang . F. . 7012 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID SNase(55-72) 7012 1 'solution structure' 7012 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Thermonuclease _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Thermonuclease _Assembly.Entry_ID 7012 _Assembly.ID 1 _Assembly.Name '18-mer peptide from Thermonuclease (E.C.3.1.31.1)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7012 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 '18-mer peptide from Thermonuclease' 1 $Thermonuclease . . . native . . . . . 7012 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2FXY . . . . . . 7012 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '18-mer peptide from Thermonuclease (E.C.3.1.31.1)' system 7012 1 Thermonuclease abbreviation 7012 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Thermonuclease _Entity.Sf_category entity _Entity.Sf_framecode Thermonuclease _Entity.Entry_ID 7012 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '18-mer peptide from Thermonuclease (E.C.3.1.31.1)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GPEASAFTKKMVENAKKI _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 136 . "micrococcal nuclease" . . . . . 100.00 156 100.00 100.00 3.43e-02 . . . . 7012 1 2 no BMRB 15357 . "SNase complex -subdomain" . . . . . 100.00 156 100.00 100.00 3.57e-02 . . . . 7012 1 3 no BMRB 1581 . "micrococcal nuclease" . . . . . 100.00 156 100.00 100.00 3.61e-02 . . . . 7012 1 4 no BMRB 1582 . "micrococcal nuclease" . . . . . 100.00 156 100.00 100.00 3.61e-02 . . . . 7012 1 5 no BMRB 1583 . "micrococcal nuclease" . . . . . 100.00 149 100.00 100.00 2.77e-02 . . . . 7012 1 6 no BMRB 1584 . "micrococcal nuclease" . . . . . 100.00 149 100.00 100.00 2.69e-02 . . . . 7012 1 7 no BMRB 15901 . D+PHS . . . . . 100.00 143 100.00 100.00 2.48e-02 . . . . 7012 1 8 no BMRB 16585 . SNase140 . . . . . 100.00 140 100.00 100.00 2.71e-02 . . . . 7012 1 9 no BMRB 1704 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 2.85e-02 . . . . 7012 1 10 no BMRB 17718 . Staphylococcal_nuclease . . . . . 100.00 149 100.00 100.00 3.02e-02 . . . . 7012 1 11 no BMRB 18013 . SNase_PHS . . . . . 100.00 149 100.00 100.00 3.02e-02 . . . . 7012 1 12 no BMRB 1874 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 2.85e-02 . . . . 7012 1 13 no BMRB 1875 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 2.85e-02 . . . . 7012 1 14 no BMRB 1876 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 2.85e-02 . . . . 7012 1 15 no BMRB 1877 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 2.85e-02 . . . . 7012 1 16 no BMRB 1878 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 2.85e-02 . . . . 7012 1 17 no BMRB 18788 . staph_nuc_E43S . . . . . 100.00 149 100.00 100.00 2.92e-02 . . . . 7012 1 18 no BMRB 188 . "micrococcal nuclease" . . . . . 100.00 156 100.00 100.00 3.43e-02 . . . . 7012 1 19 no BMRB 189 . "micrococcal nuclease" . . . . . 100.00 156 100.00 100.00 3.43e-02 . . . . 7012 1 20 no BMRB 2784 . "micrococcal nuclease" . . . . . 100.00 156 100.00 100.00 3.43e-02 . . . . 7012 1 21 no BMRB 2785 . "micrococcal nuclease" . . . . . 100.00 156 100.00 100.00 3.43e-02 . . . . 7012 1 22 no BMRB 4052 . staph-nucl-H124L . . . . . 100.00 149 100.00 100.00 3.02e-02 . . . . 7012 1 23 no BMRB 4053 . staph-nucl-H124L . . . . . 100.00 149 100.00 100.00 3.02e-02 . . . . 7012 1 24 no BMRB 4905 . Snase . . . . . 100.00 110 100.00 100.00 2.16e-02 . . . . 7012 1 25 no BMRB 494 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 2.85e-02 . . . . 7012 1 26 no BMRB 495 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 2.85e-02 . . . . 7012 1 27 no BMRB 496 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 2.85e-02 . . . . 7012 1 28 no BMRB 497 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 2.85e-02 . . . . 7012 1 29 no BMRB 530 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 2.85e-02 . . . . 7012 1 30 no BMRB 5536 . G88W110_Snase . . . . . 100.00 110 100.00 100.00 2.16e-02 . . . . 7012 1 31 no BMRB 6250 . G88W121 . . . . . 100.00 121 100.00 100.00 2.22e-02 . . . . 7012 1 32 no BMRB 644 . "micrococcal nuclease" . . . . . 100.00 156 100.00 100.00 3.43e-02 . . . . 7012 1 33 no BMRB 6908 . SNase110_fragment_of_Staphylococcal_Nuclease . . . . . 100.00 110 100.00 100.00 1.95e-02 . . . . 7012 1 34 no PDB 1A2T . "Staphylococcal Nuclease, B-Mercaptoethanol Disulfide To V23c Variant" . . . . . 100.00 149 100.00 100.00 2.96e-02 . . . . 7012 1 35 no PDB 1A2U . "Staphylococcal Nuclease, V23c Variant, Complex With 1-N- Butane Thiol And 3',5'-Thymidine Diphosphate" . . . . . 100.00 149 100.00 100.00 2.96e-02 . . . . 7012 1 36 no PDB 1A3T . "Staphylococcal Nuclease, V23c Variant, Complex With 2- Fluoroethane Thiol And 3',5'-Thymidine Diphosphate" . . . . . 100.00 149 100.00 100.00 2.96e-02 . . . . 7012 1 37 no PDB 1A3U . "Staphylococcal Nuclease, Cyclohexane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 100.00 100.00 2.96e-02 . . . . 7012 1 38 no PDB 1A3V . "Staphylococcal Nuclease, Cyclopentane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 100.00 100.00 2.96e-02 . . . . 7012 1 39 no PDB 1AEX . "Staphylococcal Nuclease, Methane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 100.00 100.00 2.96e-02 . . . . 7012 1 40 no PDB 1ENA . "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" . . . . . 100.00 135 100.00 100.00 2.59e-02 . . . . 7012 1 41 no PDB 1ENC . "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" . . . . . 100.00 149 100.00 100.00 3.08e-02 . . . . 7012 1 42 no PDB 1EQV . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 136 100.00 100.00 2.83e-02 . . . . 7012 1 43 no PDB 1EY0 . "Structure Of Wild-Type S. Nuclease At 1.6 A Resolution" . . . . . 100.00 149 100.00 100.00 2.99e-02 . . . . 7012 1 44 no PDB 1EY5 . "Structure Of S. Nuclease Stabilizing Mutant T33v" . . . . . 100.00 149 100.00 100.00 3.08e-02 . . . . 7012 1 45 no PDB 1EY6 . "Structure Of S. Nuclease Stabilizing Mutant T41i" . . . . . 100.00 149 100.00 100.00 3.12e-02 . . . . 7012 1 46 no PDB 1EY7 . "Structure Of S. Nuclease Stabilizing Mutant S128a" . . . . . 100.00 149 100.00 100.00 3.08e-02 . . . . 7012 1 47 no PDB 1EY8 . "Structure Of S. Nuclease Stabilizing Triple Mutant P117gH124LS128A" . . . . . 100.00 149 100.00 100.00 3.02e-02 . . . . 7012 1 48 no PDB 1EY9 . "Structure Of S. Nuclease Stabilizing Quadruple Mutant T41iP117GH124LS128A" . . . . . 100.00 149 100.00 100.00 2.99e-02 . . . . 7012 1 49 no PDB 1EYA . "Structure Of S. Nuclease Stabilizing Quintuple Mutant T33vT41IP117GH124LS128A" . . . . . 100.00 149 100.00 100.00 3.08e-02 . . . . 7012 1 50 no PDB 1EYD . "Structure Of Wild-Type S. Nuclease At 1.7 A Resolution" . . . . . 100.00 149 100.00 100.00 2.99e-02 . . . . 7012 1 51 no PDB 1EZ8 . "Structure Of S. Nuclease Stabilizing Mutant T33v" . . . . . 100.00 149 100.00 100.00 3.08e-02 . . . . 7012 1 52 no PDB 1F2M . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 100.00 100.00 3.02e-02 . . . . 7012 1 53 no PDB 1F2Y . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 100.00 100.00 3.05e-02 . . . . 7012 1 54 no PDB 1F2Z . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 100.00 100.00 3.05e-02 . . . . 7012 1 55 no PDB 1JOK . "Averaged Structure For Staphylococcal Nuclease-H124l In Ternary Complex With Ca2+ And Thymidine-3',5'-Bisphosphate" . . . . . 100.00 149 100.00 100.00 3.02e-02 . . . . 7012 1 56 no PDB 1JOO . "Averaged Structure For Unligated Staphylococcal Nuclease- H124l" . . . . . 100.00 149 100.00 100.00 3.02e-02 . . . . 7012 1 57 no PDB 1JOQ . "Ensemble Structures For Staphylococcal Nuclease-H124l In Ternary Complex With Ca2+ And Thymidine-3',5'-Bisphosphate" . . . . . 100.00 149 100.00 100.00 3.02e-02 . . . . 7012 1 58 no PDB 1JOR . "Ensemble Structures For Unligated Staphylococcal Nuclease- H124l" . . . . . 100.00 149 100.00 100.00 3.02e-02 . . . . 7012 1 59 no PDB 1KAA . "Stress And Strain In Staphylococcal Nuclease" . . . . . 100.00 136 100.00 100.00 2.60e-02 . . . . 7012 1 60 no PDB 1KAB . "Stress And Strain In Staphylococcal Nuclease" . . . . . 100.00 136 100.00 100.00 2.68e-02 . . . . 7012 1 61 no PDB 1KDA . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 100.00 100.00 2.96e-02 . . . . 7012 1 62 no PDB 1KDB . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 100.00 100.00 3.02e-02 . . . . 7012 1 63 no PDB 1KDC . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 100.00 100.00 3.02e-02 . . . . 7012 1 64 no PDB 1NSN . "The Crystal Structure Of Antibody N10-Staphylococcal Nuclease Complex At 2.9 Angstroms Resolution" . . . . . 100.00 149 100.00 100.00 2.99e-02 . . . . 7012 1 65 no PDB 1NUC . "Staphylococcal Nuclease, V23c Variant" . . . . . 100.00 149 100.00 100.00 3.18e-02 . . . . 7012 1 66 no PDB 1RKN . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With G88w Mutation" . . . . . 100.00 110 100.00 100.00 2.16e-02 . . . . 7012 1 67 no PDB 1SNC . "The Crystal Structure Of The Ternary Complex Of Staphylococcal Nuclease, Ca2+, And The Inhibitor PdTp, Refined At 1.65 Angstrom" . . . . . 100.00 149 100.00 100.00 2.99e-02 . . . . 7012 1 68 no PDB 1SND . "Staphylococcal Nuclease Dimer Containing A Deletion Of Residues 114- 119 Complexed With Calcium Chloride And The Competitive In" . . . . . 100.00 143 100.00 100.00 2.54e-02 . . . . 7012 1 69 no PDB 1SNM . "Active Site Mutant Glu-43 (Right Arrow) Asp In Staphylococcal Nuclease Displays Nonlocal Structural Changes" . . . . . 100.00 149 100.00 100.00 2.92e-02 . . . . 7012 1 70 no PDB 1SNO . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 100.00 100.00 3.02e-02 . . . . 7012 1 71 no PDB 1SNP . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 100.00 100.00 2.96e-02 . . . . 7012 1 72 no PDB 1SNQ . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 100.00 100.00 2.77e-02 . . . . 7012 1 73 no PDB 1STA . "Accommodation Of Insertion Mutations On The Surface And In The Interior Of Staphylococcal Nuclease" . . . . . 100.00 151 100.00 100.00 3.29e-02 . . . . 7012 1 74 no PDB 1STB . "Accommodation Of Insertion Mutations On The Surface And In The Interior Of Staphylococcal Nuclease" . . . . . 100.00 150 100.00 100.00 3.04e-02 . . . . 7012 1 75 no PDB 1STG . "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" . . . . . 100.00 149 100.00 100.00 2.99e-02 . . . . 7012 1 76 no PDB 1STH . "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" . . . . . 100.00 149 100.00 100.00 2.99e-02 . . . . 7012 1 77 no PDB 1STN . "The Crystal Structure Of Staphylococcal Nuclease Refined At 1.7 Angstroms Resolution" . . . . . 100.00 149 100.00 100.00 2.99e-02 . . . . 7012 1 78 no PDB 1STY . "The Alpha Aneurism: A Structural Motif Revealed In An Insertion Mutant Of Staphylococcal Nuclease" . . . . . 100.00 150 100.00 100.00 3.14e-02 . . . . 7012 1 79 no PDB 1SYB . "Transfer Of A Beta-Turn Structure To A New Protein Context" . . . . . 100.00 150 100.00 100.00 3.04e-02 . . . . 7012 1 80 no PDB 1SYC . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 100.00 100.00 2.92e-02 . . . . 7012 1 81 no PDB 1SYD . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 100.00 100.00 2.92e-02 . . . . 7012 1 82 no PDB 1SYE . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 100.00 100.00 2.77e-02 . . . . 7012 1 83 no PDB 1SYF . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 100.00 100.00 2.77e-02 . . . . 7012 1 84 no PDB 1SYG . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 100.00 100.00 2.89e-02 . . . . 7012 1 85 no PDB 1TQO . "Cryogenic Crystal Structure Of Staphylococcal Nuclease Variant Truncated Delta+phs I92e" . . . . . 100.00 138 100.00 100.00 2.44e-02 . . . . 7012 1 86 no PDB 1TR5 . "Room Temperature Structure Of Staphylococcal Nuclease Variant Truncated Delta+phs I92e" . . . . . 100.00 138 100.00 100.00 2.44e-02 . . . . 7012 1 87 no PDB 1TT2 . "Cryogenic Crystal Structure Of Staphylococcal Nuclease Variant Truncated Delta+phs I92k" . . . . . 100.00 138 100.00 100.00 2.44e-02 . . . . 7012 1 88 no PDB 2ENB . "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" . . . . . 100.00 135 100.00 100.00 2.59e-02 . . . . 7012 1 89 no PDB 2EXZ . "Crystal Structure Of Staphylococcal Nuclease Mutant T22c" . . . . . 100.00 149 100.00 100.00 3.25e-02 . . . . 7012 1 90 no PDB 2EY1 . "Crystal Structure Of Staphylococcal Nuclease Mutant T22v" . . . . . 100.00 149 100.00 100.00 3.08e-02 . . . . 7012 1 91 no PDB 2EY2 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41c" . . . . . 100.00 149 100.00 100.00 3.25e-02 . . . . 7012 1 92 no PDB 2EY5 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41s" . . . . . 100.00 149 100.00 100.00 2.96e-02 . . . . 7012 1 93 no PDB 2EY6 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41v" . . . . . 100.00 149 100.00 100.00 3.08e-02 . . . . 7012 1 94 no PDB 2EYF . "Crystal Structure Of Staphylococcal Nuclease Mutant T44v" . . . . . 100.00 149 100.00 100.00 3.08e-02 . . . . 7012 1 95 no PDB 2EYL . "Crystal Structure Of Staphylococcal Nuclease Mutant T82s" . . . . . 100.00 149 100.00 100.00 2.96e-02 . . . . 7012 1 96 no PDB 2EYM . "Crystal Structure Of Staphylococcal Nuclease Mutant T120c" . . . . . 100.00 149 100.00 100.00 3.25e-02 . . . . 7012 1 97 no PDB 2EYO . "Crystal Structure Of Staphylococcal Nuclease Mutant T120s" . . . . . 100.00 149 100.00 100.00 2.96e-02 . . . . 7012 1 98 no PDB 2EYP . "Crystal Structure Of Staphylococcal Nuclease Mutant T120v" . . . . . 100.00 149 100.00 100.00 3.08e-02 . . . . 7012 1 99 no PDB 2F0D . "Crystal Structure Of Staphylococcal Nuclease Mutant I92v" . . . . . 100.00 149 100.00 100.00 2.99e-02 . . . . 7012 1 100 no PDB 2F0E . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l" . . . . . 100.00 149 100.00 100.00 2.99e-02 . . . . 7012 1 101 no PDB 2F0F . "Crystal Structure Of Staphylococcal Nuclease Mutant L25i" . . . . . 100.00 149 100.00 100.00 3.08e-02 . . . . 7012 1 102 no PDB 2F0K . "Crystal Structure Of Staphylococcal Nuclease Mutant V23iL25I" . . . . . 100.00 149 100.00 100.00 3.08e-02 . . . . 7012 1 103 no PDB 2F3W . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease In 2m Tmao" . . . . . 100.00 110 100.00 100.00 1.95e-02 . . . . 7012 1 104 no PDB 2FXY . "Solution Structure Of 55-72 Segment Of Staphylococcal Nuclease" . . . . . 100.00 18 100.00 100.00 2.67e-02 . . . . 7012 1 105 no PDB 2KHS . "Solution Structure Of Snase121:snase(111-143) Complex" . . . . . 100.00 121 100.00 100.00 2.11e-02 . . . . 7012 1 106 no PDB 2KQ3 . "Solution Structure Of Snase140" . . . . . 100.00 140 100.00 100.00 2.71e-02 . . . . 7012 1 107 no PDB 2LKV . "Staphylococcal Nuclease Phs Variant" . . . . . 100.00 149 100.00 100.00 3.02e-02 . . . . 7012 1 108 no PDB 2M00 . "Solution Structure Of Staphylococcal Nuclease E43s Mutant In The Presence Of Ssdna And Cd2+" . . . . . 100.00 149 100.00 100.00 2.92e-02 . . . . 7012 1 109 no PDB 2NUC . "Staphlococcal Nuclease, Ethane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 100.00 100.00 2.96e-02 . . . . 7012 1 110 no PDB 2RBM . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I72k At Cryogenic Temperature" . . . . . 94.44 143 100.00 100.00 1.45e-01 . . . . 7012 1 111 no PDB 2RKS . "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38k At Cryogenic Temperature" . . . . . 100.00 149 100.00 100.00 3.08e-02 . . . . 7012 1 112 no PDB 2SNS . "Staphylococcal Nuclease. Proposed Mechanism Of Action Based On Structure Of Enzyme-Thymidine 3(Prime),5(Prime)-Biphosphate-Calc" . . . . . 100.00 149 100.00 100.00 3.05e-02 . . . . 7012 1 113 no PDB 3BDC . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.48e-02 . . . . 7012 1 114 no PDB 3C1E . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L125k At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.65e-02 . . . . 7012 1 115 no PDB 3C1F . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V104k At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.62e-02 . . . . 7012 1 116 no PDB 3D4D . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs Y91e At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.51e-02 . . . . 7012 1 117 no PDB 3D4W . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs A109r At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.54e-02 . . . . 7012 1 118 no PDB 3D6C . "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38e At Cryogenic Temperature" . . . . . 100.00 149 100.00 100.00 3.08e-02 . . . . 7012 1 119 no PDB 3D8G . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I72r At Cryogenic Temperature" . . . . . 94.44 143 100.00 100.00 1.39e-01 . . . . 7012 1 120 no PDB 3DHQ . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs A90r At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.54e-02 . . . . 7012 1 121 no PDB 3E5S . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L103k At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.65e-02 . . . . 7012 1 122 no PDB 3EJI . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L36k At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.65e-02 . . . . 7012 1 123 no PDB 3ERO . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I72e At Cryogenic Temperature" . . . . . 94.44 143 100.00 100.00 1.36e-01 . . . . 7012 1 124 no PDB 3ERQ . "Crystal Structure Of Staphylococcal Nuclease Variant L25k At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.65e-02 . . . . 7012 1 125 no PDB 3EVQ . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L25e At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.62e-02 . . . . 7012 1 126 no PDB 3H6M . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V104e At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.56e-02 . . . . 7012 1 127 no PDB 3ITP . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs F34k At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.38e-02 . . . . 7012 1 128 no PDB 3LX0 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs D21n At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.56e-02 . . . . 7012 1 129 no PDB 3MEH . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92a At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.43e-02 . . . . 7012 1 130 no PDB 3MHB . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L38a At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.54e-02 . . . . 7012 1 131 no PDB 3MVV . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs F34a At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.41e-02 . . . . 7012 1 132 no PDB 3MZ5 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L103a At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.54e-02 . . . . 7012 1 133 no PDB 3NHH . "Crystal Structure Of Staphylococcal Nuclease Variant V23e-l36k At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.70e-02 . . . . 7012 1 134 no PDB 3NK9 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V74a At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.48e-02 . . . . 7012 1 135 no PDB 3NP8 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L36a At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.54e-02 . . . . 7012 1 136 no PDB 3NUC . "Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 100.00 100.00 2.96e-02 . . . . 7012 1 137 no PDB 3NXW . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L125a At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.54e-02 . . . . 7012 1 138 no PDB 3OSO . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L25a At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.54e-02 . . . . 7012 1 139 no PDB 3P1H . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23kI92A AT CRYOGENIC TEMPERATURE" . . . . . 100.00 143 100.00 100.00 2.62e-02 . . . . 7012 1 140 no PDB 3P75 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V104d At Cryogenic Temperature" . . . . . 100.00 129 100.00 100.00 2.21e-02 . . . . 7012 1 141 no PDB 3PMF . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23a At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.48e-02 . . . . 7012 1 142 no PDB 3QB3 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92kl25a At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.65e-02 . . . . 7012 1 143 no PDB 3QOJ . "Cryogenic Structure Of Staphylococcal Nuclease Variant D+phsV23K" . . . . . 100.00 143 100.00 100.00 2.62e-02 . . . . 7012 1 144 no PDB 3QOL . "Crystal Structure Of Staphylococcal Nuclease Variant D+phs/v23e At Ph 6 Determined At 100 K" . . . . . 100.00 143 100.00 100.00 2.56e-02 . . . . 7012 1 145 no PDB 3QON . "Crystal Structure Of Staphylococcal Nuclease Variant D+phsV23KL36E At Ph 7 Determined At 100 K" . . . . . 100.00 143 100.00 100.00 2.70e-02 . . . . 7012 1 146 no PDB 3RUZ . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V74k At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.62e-02 . . . . 7012 1 147 no PDB 3S9W . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs M98g Bound To Ca2+ And Thymidine-5',3'-Diphosphate At Cryogenic " . . . . . 100.00 143 100.00 100.00 2.54e-02 . . . . 7012 1 148 no PDB 3SHL . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V74kl25a At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.65e-02 . . . . 7012 1 149 no PDB 3SK4 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs D21nV23E AT CRYOGENIC TEMPERATURE" . . . . . 100.00 143 100.00 100.00 2.65e-02 . . . . 7012 1 150 no PDB 3SK5 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V39d At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.43e-02 . . . . 7012 1 151 no PDB 3SK8 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs M98g Apo Protein At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.54e-02 . . . . 7012 1 152 no PDB 3SXH . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92al103a At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.56e-02 . . . . 7012 1 153 no PDB 3TP6 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L36e/l103k At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.76e-02 . . . . 7012 1 154 no PDB 3TP7 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V99e At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.56e-02 . . . . 7012 1 155 no PDB 3TP8 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L36e At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.62e-02 . . . . 7012 1 156 no PDB 3VA5 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92aV23A AT CRYOGENIC TEMPERATURE" . . . . . 100.00 143 100.00 100.00 2.46e-02 . . . . 7012 1 157 no PDB 4DF7 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23lV99I AT CRYOGENIC TEMPERATURE" . . . . . 100.00 143 100.00 100.00 2.51e-02 . . . . 7012 1 158 no PDB 4DFA . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92aL36A AT CRYOGENIC TEMPERATURE" . . . . . 100.00 143 100.00 100.00 2.56e-02 . . . . 7012 1 159 no PDB 4DGZ . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92aL125A AT CRYOGENIC TEMPERATURE" . . . . . 100.00 143 100.00 100.00 2.56e-02 . . . . 7012 1 160 no PDB 4DU9 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92aV74A AT CRYOGENIC TEMPERATURE" . . . . . 100.00 143 100.00 100.00 2.46e-02 . . . . 7012 1 161 no PDB 4EQN . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23e/i72k At Cryogenic Temperature" . . . . . 94.44 143 100.00 100.00 1.45e-01 . . . . 7012 1 162 no PDB 4EQO . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V99d At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.43e-02 . . . . 7012 1 163 no PDB 4EQP . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I72d At Cryogenic Temperature" . . . . . 94.44 143 100.00 100.00 1.34e-01 . . . . 7012 1 164 no PDB 4F7X . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92aL25A AT CRYOGENIC TEMPERATURE" . . . . . 100.00 143 100.00 100.00 2.56e-02 . . . . 7012 1 165 no PDB 4F8M . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23iI92V AT CRYOGENIC TEMPERATURE" . . . . . 100.00 143 100.00 100.00 2.48e-02 . . . . 7012 1 166 no PDB 4HMI . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V99k At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.62e-02 . . . . 7012 1 167 no PDB 4HMJ . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L36d At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.46e-02 . . . . 7012 1 168 no PDB 4IAL . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs H121e At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.54e-02 . . . . 7012 1 169 no PDB 4IUN . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs R126e At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.54e-02 . . . . 7012 1 170 no PDB 4IZ8 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs H8e At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.54e-02 . . . . 7012 1 171 no PDB 4J1M . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs R105e At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.54e-02 . . . . 7012 1 172 no PDB 4J6H . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs H121q At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.46e-02 . . . . 7012 1 173 no PDB 4K2K . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L25a/l36a/i92a At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.65e-02 . . . . 7012 1 174 no PDB 4K2L . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92q At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.48e-02 . . . . 7012 1 175 no PDB 4K5V . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23t/l36a/v99t At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.46e-02 . . . . 7012 1 176 no PDB 4K5X . "Crystal Structure Of Staphylococcal Nuclease Variant V23m/l36f At Cryogenic Temperature" . . . . . 100.00 149 100.00 100.00 3.29e-02 . . . . 7012 1 177 no PDB 4K8I . "Crystal Structure Of Staphylococcal Nuclease Mutant I92v/v99l" . . . . . 100.00 135 100.00 100.00 2.51e-02 . . . . 7012 1 178 no PDB 4KHV . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23s At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.43e-02 . . . . 7012 1 179 no PDB 4KTA . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs R105q At Cryogenic Temperatures" . . . . . 100.00 143 100.00 100.00 2.48e-02 . . . . 7012 1 180 no PDB 4KV6 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs R126q At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.48e-02 . . . . 7012 1 181 no PDB 4KY5 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23d At Ph 7 And Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.43e-02 . . . . 7012 1 182 no PDB 4KY6 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L25d At Ph 6 And Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.46e-02 . . . . 7012 1 183 no PDB 4KY7 . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V74d At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.43e-02 . . . . 7012 1 184 no PDB 4LAA . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L36h At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.46e-02 . . . . 7012 1 185 no PDB 4MIU . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23t/v99t At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.43e-02 . . . . 7012 1 186 no PDB 4N9P . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23t/l25a/v99t At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.46e-02 . . . . 7012 1 187 no PDB 4NDX . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92n At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.48e-02 . . . . 7012 1 188 no PDB 4PMB . "Crystal Structure Of Staphylcoccal Nuclease Variant Delta+phs I92s At Cryogenic Temperature" . . . . . 100.00 143 100.00 100.00 2.38e-02 . . . . 7012 1 189 no PDB 4PMC . "Crystal Structure Of Staphylcoccal Nuclease Variant Delta+phs I72k V74k At Cryogenic Temperature" . . . . . 94.44 143 100.00 100.00 1.48e-01 . . . . 7012 1 190 no PDB 4PNY . "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I72h At Cryogenic Temperature" . . . . . 94.44 143 100.00 100.00 1.34e-01 . . . . 7012 1 191 no PDB 4QF4 . "Crystal Structure Of Staphylococcal Nuclease Variant V23m At Cryogenic Temperature" . . . . . 100.00 149 100.00 100.00 3.05e-02 . . . . 7012 1 192 no PDB 4TRD . "Crystal Structure Of Staphylcoccal Nuclease Variant Delta+phs I72k/v74k At Ph 9.0 At Cryogenic Temperature" . . . . . 94.44 143 100.00 100.00 1.48e-01 . . . . 7012 1 193 no PDB 4WOR . "Staphylococcal Nuclease In Complex With Ca2+ And Thymidine-3'-5'- Diphosphate (pdtp) At Room Temperature" . . . . . 100.00 149 100.00 100.00 2.99e-02 . . . . 7012 1 194 no PDB 5NUC . "Staphylococcal Nuclease, 1-N-Pentane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 100.00 100.00 2.96e-02 . . . . 7012 1 195 no DBJ BAB94634 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 228 100.00 100.00 5.64e-02 . . . . 7012 1 196 no DBJ BAF67032 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 100.00 228 100.00 100.00 5.42e-02 . . . . 7012 1 197 no EMBL CAA24594 . "nuclease [Staphylococcus aureus]" . . . . . 100.00 231 100.00 100.00 5.62e-02 . . . . 7012 1 198 no EMBL CAG39855 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 100.00 228 100.00 100.00 5.70e-02 . . . . 7012 1 199 no EMBL CAG42530 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 100.00 228 100.00 100.00 5.64e-02 . . . . 7012 1 200 no EMBL CAI80436 . "staphylococcal thermonuclease precursor [Staphylococcus aureus RF122]" . . . . . 100.00 228 100.00 100.00 5.70e-02 . . . . 7012 1 201 no EMBL CAQ49298 . "thermonuclease (TNase) (Micrococcal nuclease)(Staphylococcal nuclease) [Staphylococcus aureus subsp. aureus ST398]" . . . . . 100.00 228 100.00 100.00 5.70e-02 . . . . 7012 1 202 no GB AAC14660 . "deltaSP-Nuc [Cloning vector pFUN]" . . . . . 100.00 155 100.00 100.00 3.30e-02 . . . . 7012 1 203 no GB AAW36415 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus COL]" . . . . . 100.00 228 100.00 100.00 5.42e-02 . . . . 7012 1 204 no GB ABD22328 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 100.00 228 100.00 100.00 5.42e-02 . . . . 7012 1 205 no GB ABD29945 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 100.00 228 100.00 100.00 5.42e-02 . . . . 7012 1 206 no GB ABE02272 . "nuclease [Staphylococcus aureus]" . . . . . 100.00 227 100.00 100.00 5.56e-02 . . . . 7012 1 207 no PRF 1109959A . nuclease,staphylococcal . . . . . 100.00 242 100.00 100.00 5.86e-02 . . . . 7012 1 208 no PRF 670719A . nuclease . . . . . 100.00 149 100.00 100.00 2.99e-02 . . . . 7012 1 209 no PRF 710414A . nuclease . . . . . 100.00 149 100.00 100.00 2.99e-02 . . . . 7012 1 210 no REF NP_645586 . "nuclease [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 228 100.00 100.00 5.64e-02 . . . . 7012 1 211 no REF WP_000141442 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 222 100.00 100.00 5.30e-02 . . . . 7012 1 212 no REF WP_000141556 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 100.00 100.00 5.48e-02 . . . . 7012 1 213 no REF WP_001548082 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 100.00 100.00 5.42e-02 . . . . 7012 1 214 no REF WP_001566557 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 100.00 100.00 5.32e-02 . . . . 7012 1 215 no SP P00644 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Contains:" . . . . . 100.00 231 100.00 100.00 5.62e-02 . . . . 7012 1 216 no SP Q5HHM4 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 100.00 100.00 5.42e-02 . . . . 7012 1 217 no SP Q6GB41 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 100.00 100.00 5.64e-02 . . . . 7012 1 218 no SP Q6GIK1 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 100.00 100.00 5.70e-02 . . . . 7012 1 219 no SP Q8NXI6 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 100.00 100.00 5.64e-02 . . . . 7012 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '18-mer peptide from Thermonuclease (E.C.3.1.31.1)' abbreviation 7012 1 '18-mer peptide from Thermonuclease (E.C.3.1.31.1)' common 7012 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 55 GLY . 7012 1 2 56 PRO . 7012 1 3 57 GLU . 7012 1 4 58 ALA . 7012 1 5 59 SER . 7012 1 6 60 ALA . 7012 1 7 61 PHE . 7012 1 8 62 THR . 7012 1 9 63 LYS . 7012 1 10 64 LYS . 7012 1 11 65 MET . 7012 1 12 66 VAL . 7012 1 13 67 GLU . 7012 1 14 68 ASN . 7012 1 15 69 ALA . 7012 1 16 70 LYS . 7012 1 17 71 LYS . 7012 1 18 72 ILE . 7012 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 7012 1 . PRO 2 2 7012 1 . GLU 3 3 7012 1 . ALA 4 4 7012 1 . SER 5 5 7012 1 . ALA 6 6 7012 1 . PHE 7 7 7012 1 . THR 8 8 7012 1 . LYS 9 9 7012 1 . LYS 10 10 7012 1 . MET 11 11 7012 1 . VAL 12 12 7012 1 . GLU 13 13 7012 1 . ASN 14 14 7012 1 . ALA 15 15 7012 1 . LYS 16 16 7012 1 . LYS 17 17 7012 1 . ILE 18 18 7012 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7012 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Thermonuclease . 1280 . . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Eubacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 7012 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 7012 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Thermonuclease . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7012 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7012 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '18-mer peptide from Thermonuclease (E.C.3.1.31.1)' . . . 1 $Thermonuclease . . 2.0 . . mM . . . . 7012 1 2 DSS . . . . . . . 0.02 . . mM . . . . 7012 1 3 NaN3 . . . . . . . 0.01 . . mM . . . . 7012 1 4 trifluoroethanol-d4 . . . . . . . 40 . . % . . . . 7012 1 5 H2O . . . . . . . 60 . . % . . . . 7012 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7012 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 7012 1 pH 5.0 . pH 7012 1 pressure 1 . atm 7012 1 temperature 298 . K 7012 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7012 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7012 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 7012 _Software.ID 2 _Software.Name FELIX _Software.Version 98 _Software.Details 'MSI/Accelrys Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7012 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 7012 _Software.ID 3 _Software.Name CNS _Software.Version 1.1 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution, refinement' 7012 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7012 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7012 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DMX . 600 . . . 7012 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 7012 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D DQF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7012 1 2 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7012 1 3 '2D ROESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7012 1 4 '2D 13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7012 1 5 '2D 13C HSQC-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7012 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 7012 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D DQF-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 7012 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 7012 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D ROESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 7012 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 7012 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D 13C HSQC-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7012 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7012 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 7012 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7012 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D DQF-COSY' 1 $sample_1 . 7012 1 2 '2D TOCSY' 1 $sample_1 . 7012 1 3 '2D ROESY' 1 $sample_1 . 7012 1 4 '2D 13C HSQC' 1 $sample_1 . 7012 1 5 '2D 13C HSQC-TOCSY' 1 $sample_1 . 7012 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 4.225 0.02 . 2 . . . . . . . . 7012 1 2 . 1 1 1 1 GLY HA3 H 1 3.968 0.02 . 2 . . . . . . . . 7012 1 3 . 1 1 1 1 GLY CA C 13 43.283 0.4 . 1 . . . . . . . . 7012 1 4 . 1 1 2 2 PRO HA H 1 4.476 0.02 . 1 . . . . . . . . 7012 1 5 . 1 1 2 2 PRO HB2 H 1 2.360 0.02 . 2 . . . . . . . . 7012 1 6 . 1 1 2 2 PRO HB3 H 1 2.394 0.02 . 2 . . . . . . . . 7012 1 7 . 1 1 2 2 PRO HG2 H 1 2.060 0.02 . 2 . . . . . . . . 7012 1 8 . 1 1 2 2 PRO HG3 H 1 2.099 0.02 . 2 . . . . . . . . 7012 1 9 . 1 1 2 2 PRO HD2 H 1 3.612 0.02 . 2 . . . . . . . . 7012 1 10 . 1 1 2 2 PRO HD3 H 1 3.757 0.02 . 2 . . . . . . . . 7012 1 11 . 1 1 2 2 PRO CA C 13 64.182 0.4 . 1 . . . . . . . . 7012 1 12 . 1 1 2 2 PRO CB C 13 31.808 0.4 . 1 . . . . . . . . 7012 1 13 . 1 1 2 2 PRO CG C 13 26.770 0.4 . 1 . . . . . . . . 7012 1 14 . 1 1 2 2 PRO CD C 13 49.646 0.4 . 1 . . . . . . . . 7012 1 15 . 1 1 3 3 GLU H H 1 9.064 0.02 . 1 . . . . . . . . 7012 1 16 . 1 1 3 3 GLU HA H 1 4.280 0.02 . 1 . . . . . . . . 7012 1 17 . 1 1 3 3 GLU HB2 H 1 2.162 0.02 . 2 . . . . . . . . 7012 1 18 . 1 1 3 3 GLU HB3 H 1 2.070 0.02 . 2 . . . . . . . . 7012 1 19 . 1 1 3 3 GLU HG2 H 1 2.391 0.02 . 2 . . . . . . . . 7012 1 20 . 1 1 3 3 GLU HG3 H 1 2.453 0.02 . 2 . . . . . . . . 7012 1 21 . 1 1 3 3 GLU CA C 13 58.283 0.4 . 1 . . . . . . . . 7012 1 22 . 1 1 3 3 GLU CB C 13 28.261 0.4 . 1 . . . . . . . . 7012 1 23 . 1 1 3 3 GLU CG C 13 35.460 0.4 . 1 . . . . . . . . 7012 1 24 . 1 1 4 4 ALA H H 1 8.153 0.02 . 1 . . . . . . . . 7012 1 25 . 1 1 4 4 ALA HA H 1 4.349 0.02 . 1 . . . . . . . . 7012 1 26 . 1 1 4 4 ALA HB1 H 1 1.545 0.02 . 1 . . . . . . . . 7012 1 27 . 1 1 4 4 ALA HB2 H 1 1.545 0.02 . 1 . . . . . . . . 7012 1 28 . 1 1 4 4 ALA HB3 H 1 1.545 0.02 . 1 . . . . . . . . 7012 1 29 . 1 1 4 4 ALA CA C 13 54.034 0.4 . 1 . . . . . . . . 7012 1 30 . 1 1 4 4 ALA CB C 13 18.227 0.4 . 1 . . . . . . . . 7012 1 31 . 1 1 5 5 SER H H 1 8.160 0.02 . 1 . . . . . . . . 7012 1 32 . 1 1 5 5 SER HA H 1 4.389 0.02 . 1 . . . . . . . . 7012 1 33 . 1 1 5 5 SER HB2 H 1 4.024 0.02 . 2 . . . . . . . . 7012 1 34 . 1 1 5 5 SER HB3 H 1 4.087 0.02 . 2 . . . . . . . . 7012 1 35 . 1 1 5 5 SER CA C 13 60.301 0.4 . 1 . . . . . . . . 7012 1 36 . 1 1 5 5 SER CB C 13 63.184 0.4 . 1 . . . . . . . . 7012 1 37 . 1 1 6 6 ALA H H 1 8.138 0.02 . 1 . . . . . . . . 7012 1 38 . 1 1 6 6 ALA HA H 1 4.185 0.02 . 1 . . . . . . . . 7012 1 39 . 1 1 6 6 ALA HB1 H 1 1.488 0.02 . 1 . . . . . . . . 7012 1 40 . 1 1 6 6 ALA HB2 H 1 1.488 0.02 . 1 . . . . . . . . 7012 1 41 . 1 1 6 6 ALA HB3 H 1 1.488 0.02 . 1 . . . . . . . . 7012 1 42 . 1 1 6 6 ALA CA C 13 54.874 0.4 . 1 . . . . . . . . 7012 1 43 . 1 1 6 6 ALA CB C 13 17.956 0.4 . 1 . . . . . . . . 7012 1 44 . 1 1 7 7 PHE H H 1 8.144 0.02 . 1 . . . . . . . . 7012 1 45 . 1 1 7 7 PHE HA H 1 4.336 0.02 . 1 . . . . . . . . 7012 1 46 . 1 1 7 7 PHE HB2 H 1 3.175 0.02 . 2 . . . . . . . . 7012 1 47 . 1 1 7 7 PHE HB3 H 1 3.197 0.02 . 2 . . . . . . . . 7012 1 48 . 1 1 7 7 PHE HD1 H 1 7.242 0.02 . 2 . . . . . . . . 7012 1 49 . 1 1 7 7 PHE HE1 H 1 7.292 0.02 . 2 . . . . . . . . 7012 1 50 . 1 1 7 7 PHE HZ H 1 7.344 0.02 . 1 . . . . . . . . 7012 1 51 . 1 1 7 7 PHE CA C 13 60.704 0.4 . 1 . . . . . . . . 7012 1 52 . 1 1 7 7 PHE CB C 13 39.150 0.4 . 1 . . . . . . . . 7012 1 53 . 1 1 8 8 THR H H 1 8.015 0.02 . 1 . . . . . . . . 7012 1 54 . 1 1 8 8 THR HA H 1 3.905 0.02 . 1 . . . . . . . . 7012 1 55 . 1 1 8 8 THR HB H 1 4.335 0.02 . 1 . . . . . . . . 7012 1 56 . 1 1 8 8 THR HG21 H 1 1.298 0.02 . 1 . . . . . . . . 7012 1 57 . 1 1 8 8 THR HG22 H 1 1.298 0.02 . 1 . . . . . . . . 7012 1 58 . 1 1 8 8 THR HG23 H 1 1.298 0.02 . 1 . . . . . . . . 7012 1 59 . 1 1 8 8 THR CA C 13 66.349 0.4 . 1 . . . . . . . . 7012 1 60 . 1 1 8 8 THR CB C 13 68.903 0.4 . 1 . . . . . . . . 7012 1 61 . 1 1 8 8 THR CG2 C 13 21.147 0.4 . 1 . . . . . . . . 7012 1 62 . 1 1 9 9 LYS H H 1 7.972 0.02 . 1 . . . . . . . . 7012 1 63 . 1 1 9 9 LYS HA H 1 3.969 0.02 . 1 . . . . . . . . 7012 1 64 . 1 1 9 9 LYS HB2 H 1 1.724 0.02 . 2 . . . . . . . . 7012 1 65 . 1 1 9 9 LYS HB3 H 1 1.927 0.02 . 2 . . . . . . . . 7012 1 66 . 1 1 9 9 LYS HG2 H 1 1.434 0.02 . 2 . . . . . . . . 7012 1 67 . 1 1 9 9 LYS HE2 H 1 3.000 0.02 . 2 . . . . . . . . 7012 1 68 . 1 1 9 9 LYS CA C 13 59.840 0.4 . 1 . . . . . . . . 7012 1 69 . 1 1 9 9 LYS CB C 13 32.400 0.4 . 1 . . . . . . . . 7012 1 70 . 1 1 9 9 LYS CG C 13 25.152 0.4 . 1 . . . . . . . . 7012 1 71 . 1 1 9 9 LYS CD C 13 29.453 0.4 . 1 . . . . . . . . 7012 1 72 . 1 1 9 9 LYS CE C 13 41.912 0.4 . 1 . . . . . . . . 7012 1 73 . 1 1 10 10 LYS H H 1 7.784 0.02 . 1 . . . . . . . . 7012 1 74 . 1 1 10 10 LYS HA H 1 4.098 0.02 . 1 . . . . . . . . 7012 1 75 . 1 1 10 10 LYS HB2 H 1 1.726 0.02 . 2 . . . . . . . . 7012 1 76 . 1 1 10 10 LYS HB3 H 1 1.908 0.02 . 2 . . . . . . . . 7012 1 77 . 1 1 10 10 LYS HG2 H 1 1.478 0.02 . 2 . . . . . . . . 7012 1 78 . 1 1 10 10 LYS HG3 H 1 1.534 0.02 . 2 . . . . . . . . 7012 1 79 . 1 1 10 10 LYS HE2 H 1 3.002 0.02 . 2 . . . . . . . . 7012 1 80 . 1 1 10 10 LYS CA C 13 58.362 0.4 . 1 . . . . . . . . 7012 1 81 . 1 1 10 10 LYS CB C 13 31.779 0.4 . 1 . . . . . . . . 7012 1 82 . 1 1 10 10 LYS CG C 13 24.544 0.4 . 1 . . . . . . . . 7012 1 83 . 1 1 10 10 LYS CD C 13 28.544 0.4 . 1 . . . . . . . . 7012 1 84 . 1 1 10 10 LYS CE C 13 41.785 0.4 . 1 . . . . . . . . 7012 1 85 . 1 1 11 11 MET H H 1 8.025 0.02 . 1 . . . . . . . . 7012 1 86 . 1 1 11 11 MET HA H 1 4.206 0.02 . 1 . . . . . . . . 7012 1 87 . 1 1 11 11 MET HB2 H 1 2.176 0.02 . 2 . . . . . . . . 7012 1 88 . 1 1 11 11 MET HB3 H 1 2.294 0.02 . 2 . . . . . . . . 7012 1 89 . 1 1 11 11 MET HG2 H 1 2.445 0.02 . 1 . . . . . . . . 7012 1 90 . 1 1 11 11 MET HE1 H 1 2.057 0.02 . 1 . . . . . . . . 7012 1 91 . 1 1 11 11 MET HE2 H 1 2.057 0.02 . 1 . . . . . . . . 7012 1 92 . 1 1 11 11 MET HE3 H 1 2.057 0.02 . 1 . . . . . . . . 7012 1 93 . 1 1 11 11 MET CA C 13 58.098 0.4 . 1 . . . . . . . . 7012 1 94 . 1 1 11 11 MET CB C 13 32.055 0.4 . 1 . . . . . . . . 7012 1 95 . 1 1 11 11 MET CG C 13 31.782 0.4 . 1 . . . . . . . . 7012 1 96 . 1 1 11 11 MET CE C 13 17.956 0.4 . 1 . . . . . . . . 7012 1 97 . 1 1 12 12 VAL H H 1 8.219 0.02 . 1 . . . . . . . . 7012 1 98 . 1 1 12 12 VAL HA H 1 3.756 0.02 . 1 . . . . . . . . 7012 1 99 . 1 1 12 12 VAL HB H 1 2.208 0.02 . 1 . . . . . . . . 7012 1 100 . 1 1 12 12 VAL HG11 H 1 0.972 0.02 . 2 . . . . . . . . 7012 1 101 . 1 1 12 12 VAL HG12 H 1 0.972 0.02 . 2 . . . . . . . . 7012 1 102 . 1 1 12 12 VAL HG13 H 1 0.972 0.02 . 2 . . . . . . . . 7012 1 103 . 1 1 12 12 VAL HG21 H 1 1.070 0.02 . 2 . . . . . . . . 7012 1 104 . 1 1 12 12 VAL HG22 H 1 1.070 0.02 . 2 . . . . . . . . 7012 1 105 . 1 1 12 12 VAL HG23 H 1 1.070 0.02 . 2 . . . . . . . . 7012 1 106 . 1 1 12 12 VAL CA C 13 66.127 0.4 . 1 . . . . . . . . 7012 1 107 . 1 1 12 12 VAL CB C 13 31.782 0.4 . 1 . . . . . . . . 7012 1 108 . 1 1 12 12 VAL CG1 C 13 21.737 0.4 . 1 . . . . . . . . 7012 1 109 . 1 1 12 12 VAL CG2 C 13 20.754 0.4 . 1 . . . . . . . . 7012 1 110 . 1 1 13 13 GLU H H 1 8.250 0.02 . 1 . . . . . . . . 7012 1 111 . 1 1 13 13 GLU HA H 1 4.066 0.02 . 1 . . . . . . . . 7012 1 112 . 1 1 13 13 GLU HB2 H 1 2.208 0.02 . 2 . . . . . . . . 7012 1 113 . 1 1 13 13 GLU HB3 H 1 2.133 0.02 . 2 . . . . . . . . 7012 1 114 . 1 1 13 13 GLU HG2 H 1 2.391 0.02 . 2 . . . . . . . . 7012 1 115 . 1 1 13 13 GLU HG3 H 1 2.584 0.02 . 2 . . . . . . . . 7012 1 116 . 1 1 13 13 GLU CA C 13 58.883 0.4 . 1 . . . . . . . . 7012 1 117 . 1 1 13 13 GLU CB C 13 29.260 0.4 . 1 . . . . . . . . 7012 1 118 . 1 1 13 13 GLU CG C 13 35.927 0.4 . 1 . . . . . . . . 7012 1 119 . 1 1 14 14 ASN H H 1 8.037 0.02 . 1 . . . . . . . . 7012 1 120 . 1 1 14 14 ASN HA H 1 4.635 0.02 . 1 . . . . . . . . 7012 1 121 . 1 1 14 14 ASN HB2 H 1 2.874 0.02 . 2 . . . . . . . . 7012 1 122 . 1 1 14 14 ASN CA C 13 54.762 0.4 . 1 . . . . . . . . 7012 1 123 . 1 1 14 14 ASN CB C 13 38.953 0.4 . 1 . . . . . . . . 7012 1 124 . 1 1 15 15 ALA H H 1 7.940 0.02 . 1 . . . . . . . . 7012 1 125 . 1 1 15 15 ALA HA H 1 4.271 0.02 . 1 . . . . . . . . 7012 1 126 . 1 1 15 15 ALA HB1 H 1 1.543 0.02 . 1 . . . . . . . . 7012 1 127 . 1 1 15 15 ALA HB2 H 1 1.543 0.02 . 1 . . . . . . . . 7012 1 128 . 1 1 15 15 ALA HB3 H 1 1.543 0.02 . 1 . . . . . . . . 7012 1 129 . 1 1 15 15 ALA CA C 13 53.631 0.4 . 1 . . . . . . . . 7012 1 130 . 1 1 15 15 ALA CB C 13 18.368 0.4 . 1 . . . . . . . . 7012 1 131 . 1 1 16 16 LYS H H 1 7.914 0.02 . 1 . . . . . . . . 7012 1 132 . 1 1 16 16 LYS HA H 1 4.323 0.02 . 1 . . . . . . . . 7012 1 133 . 1 1 16 16 LYS HB2 H 1 1.887 0.02 . 2 . . . . . . . . 7012 1 134 . 1 1 16 16 LYS HB3 H 1 1.941 0.02 . 2 . . . . . . . . 7012 1 135 . 1 1 16 16 LYS HG2 H 1 0.984 0.02 . 2 . . . . . . . . 7012 1 136 . 1 1 16 16 LYS HD2 H 1 1.526 0.02 . 2 . . . . . . . . 7012 1 137 . 1 1 16 16 LYS HE2 H 1 2.864 0.02 . 2 . . . . . . . . 7012 1 138 . 1 1 16 16 LYS CA C 13 56.444 0.4 . 1 . . . . . . . . 7012 1 139 . 1 1 16 16 LYS CB C 13 32.709 0.4 . 1 . . . . . . . . 7012 1 140 . 1 1 16 16 LYS CG C 13 24.786 0.4 . 1 . . . . . . . . 7012 1 141 . 1 1 16 16 LYS CD C 13 28.902 0.4 . 1 . . . . . . . . 7012 1 142 . 1 1 16 16 LYS CE C 13 41.866 0.4 . 1 . . . . . . . . 7012 1 143 . 1 1 17 17 LYS H H 1 7.923 0.02 . 1 . . . . . . . . 7012 1 144 . 1 1 17 17 LYS HA H 1 4.367 0.02 . 1 . . . . . . . . 7012 1 145 . 1 1 17 17 LYS HB2 H 1 1.886 0.02 . 2 . . . . . . . . 7012 1 146 . 1 1 17 17 LYS HB3 H 1 1.951 0.02 . 2 . . . . . . . . 7012 1 147 . 1 1 17 17 LYS HG2 H 1 1.295 0.02 . 2 . . . . . . . . 7012 1 148 . 1 1 17 17 LYS HD2 H 1 1.736 0.02 . 2 . . . . . . . . 7012 1 149 . 1 1 17 17 LYS HE2 H 1 3.041 0.02 . 2 . . . . . . . . 7012 1 150 . 1 1 17 17 LYS CA C 13 56.432 0.4 . 1 . . . . . . . . 7012 1 151 . 1 1 17 17 LYS CB C 13 32.836 0.4 . 1 . . . . . . . . 7012 1 152 . 1 1 17 17 LYS CD C 13 28.872 0.4 . 1 . . . . . . . . 7012 1 153 . 1 1 17 17 LYS CE C 13 42.017 0.4 . 1 . . . . . . . . 7012 1 154 . 1 1 18 18 ILE H H 1 7.574 0.02 . 1 . . . . . . . . 7012 1 155 . 1 1 18 18 ILE HA H 1 4.196 0.02 . 1 . . . . . . . . 7012 1 156 . 1 1 18 18 ILE HB H 1 1.908 0.02 . 1 . . . . . . . . 7012 1 157 . 1 1 18 18 ILE HG12 H 1 1.210 0.02 . 2 . . . . . . . . 7012 1 158 . 1 1 18 18 ILE HG13 H 1 1.511 0.02 . 2 . . . . . . . . 7012 1 159 . 1 1 18 18 ILE HG21 H 1 0.960 0.02 . 1 . . . . . . . . 7012 1 160 . 1 1 18 18 ILE HG22 H 1 0.960 0.02 . 1 . . . . . . . . 7012 1 161 . 1 1 18 18 ILE HG23 H 1 0.960 0.02 . 1 . . . . . . . . 7012 1 162 . 1 1 18 18 ILE CA C 13 62.660 0.4 . 1 . . . . . . . . 7012 1 163 . 1 1 18 18 ILE CB C 13 39.721 0.4 . 1 . . . . . . . . 7012 1 164 . 1 1 18 18 ILE CG1 C 13 27.260 0.4 . 1 . . . . . . . . 7012 1 165 . 1 1 18 18 ILE CG2 C 13 17.579 0.4 . 1 . . . . . . . . 7012 1 stop_ save_