data_4573 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4573 _Entry.Title ; 1HN,15N,13CO,13Ca,13Cb chemical shifts of 7,8-dihydroneopterin aldolase (DHNA) from Staphylococcus aureus ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-01-25 _Entry.Accession_date 2000-01-25 _Entry.Last_release_date 2004-05-15 _Entry.Original_release_date 2004-05-15 _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 Michael Salzmann . . . 4573 2 Konstantin Pervushin . . . 4573 3 Gerhard Wider . . . 4573 4 Hans Senn . . . 4573 5 Kurt Wuthrich . . . 4573 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4573 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 109 4573 '13C chemical shifts' 302 4573 '15N chemical shifts' 109 4573 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 1 . . 2004-05-15 2000-01-25 original author . 4573 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4573 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR Assignment and Secondary Structure Determination of an Octameric 110 kDa Protein Using TROSY in Triple Resonance Experiments ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 122 _Citation.Journal_issue . _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 7543 _Citation.Page_last 7548 _Citation.Year 2000 _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 Michael Salzmann . . . 4573 1 2 Konstantin Pervushin . . . 4573 1 3 Gerhard Wider . . . 4573 1 4 Hans Senn . . . 4573 1 5 Kurt Wuthrich . . . 4573 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 4573 1 TROSY 4573 1 DHNA 4573 1 Aldolase 4573 1 'Large Protein' 4573 1 stop_ save_ save_ref1 _Citation.Sf_category citations _Citation.Sf_framecode ref1 _Citation.Entry_ID 4573 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8019132 _Citation.Full_citation ; Wishart DS, Sykes BD. The 13C chemical-shift index: a simple method for the identification of protein secondary structure using 13C chemical-shift data. J Biomol NMR. 1994 Mar;4(2):171-80. ; _Citation.Title 'The 13C chemical-shift index: a simple method for the identification of protein secondary structure using 13C chemical-shift data.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 4 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 171 _Citation.Page_last 180 _Citation.Year 1994 _Citation.Details ; A simple technique for identifying protein secondary structures through the analysis of backbone 13C chemical shifts is described. It is based on the Chemical-Shift Index [Wishart et al. (1992) Biochemistry, 31, 1647-1651] which was originally developed for the analysis of 1H(alpha) chemical shifts. By extending the Chemical-Shift Index to include 13C(alpha), 13C(beta) and carbonyl 13C chemical shifts, it is now possible to use four independent chemical-shift measurements to identify and locate protein secondary structures. It is shown that by combining both 1H and 13C chemical-shift indices to produce a 'consensus' estimate of secondary structure, it is possible to achieve a predictive accuracy in excess of 92%. This suggests that the secondary structure of peptides and proteins can be accurately obtained from 1H and 13C chemical shifts, without recourse to NOE measurements. ; 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 'D S' Wishart D. S. . 4573 2 2 'B D' Sykes B. D. . 4573 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DHNA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DHNA _Assembly.Entry_ID 4573 _Assembly.ID 1 _Assembly.Name '7,8-dihydroneopterin aldolase' _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 110000 _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 octamer 4573 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 subunit-1 1 $DHNA . . . native . . 1 . . 4573 1 2 subunit-2 1 $DHNA . . . native . . 1 . . 4573 1 3 subunit-3 1 $DHNA . . . native . . 1 . . 4573 1 4 subunit-4 1 $DHNA . . . native . . 1 . . 4573 1 5 subunit-5 1 $DHNA . . . native . . 1 . . 4573 1 6 subunit-6 1 $DHNA . . . native . . 1 . . 4573 1 7 subunit-7 1 $DHNA . . . native . . 1 . . 4573 1 8 subunit-8 1 $DHNA . . . native . . 1 . . 4573 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 . PDB 1DHN . DHNA . . . . 4573 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '7,8-dihydroneopterin aldolase' system 4573 1 DHNA abbreviation 4573 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DHNA _Entity.Sf_category entity _Entity.Sf_framecode DHNA _Entity.Entry_ID 4573 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Aldolase _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 ; MQDTIFLKGMRFYGYHGALS AENEIGQIFKVDVTLKVDLS EAGRTDNVIDTVHYGEVFEE VKSIMEGKAVNLLEHLAERI ANRINSQYNRVMETKVRITK ENPPIPGHYDGVGIEIVREN K ; _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 121 _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 15000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 PDB 1DHN . "1.65 Angstrom Resolution Structure Of 7,8-dihydroneopterin Aldolase From Staphylococcus Aureus" . . . . . 100.00 121 100.00 100.00 1.56e-81 . . . . 4573 1 2 no PDB 1RRI . "Dhna Complex With 3-(5-Amino-7-Hydroxy-[1,2,3] Triazolo [4,5- D]pyrimidin-2-Yl)-Benzoic Acid" . . . . . 100.00 121 100.00 100.00 1.56e-81 . . . . 4573 1 3 no PDB 1RRW . "Dhna Complexed With 9-Methylguanine" . . . . . 100.00 121 100.00 100.00 1.56e-81 . . . . 4573 1 4 no PDB 1RRY . "Dhna Complexed With 2-Amino-4-Hydroxy-5-Carboxyethylpyrimidine" . . . . . 100.00 121 100.00 100.00 1.56e-81 . . . . 4573 1 5 no PDB 1RS2 . "Dhna Complex With 8-Amino-1,3-Dimethyl-3,7-Dihydropurine-2,6-Dione" . . . . . 100.00 121 100.00 100.00 1.56e-81 . . . . 4573 1 6 no PDB 1RS4 . "Dhna, 7,8-Dihydroneopterin Aldolase Complexed With 3-(5-Amino-7- Hydroxy-[1,2,3]triazolo[4,5-D]pyrimidin-2-Yl)-N-(3,5-Dichlorob" . . . . . 100.00 121 100.00 100.00 1.56e-81 . . . . 4573 1 7 no PDB 1RSD . "Dhna Complex With 3-(5-Amino-7-Hydroxy-[1,2,3]triazolo[4,5- D]pyrimidin-2-Yl)-N-[2-(2-Hydroxymethyl-Phenylsulfanyl)-Benzyl]- Be" . . . . . 100.00 121 100.00 100.00 1.56e-81 . . . . 4573 1 8 no PDB 1RSI . "Dhna Complex With 2-amino-5-bromo-3-hydroxy-6-phenylpyrimidine" . . . . . 100.00 121 100.00 100.00 1.56e-81 . . . . 4573 1 9 no PDB 1U68 . "Dhna 7,8 Dihydroneopterin Complex" . . . . . 100.00 121 100.00 100.00 1.56e-81 . . . . 4573 1 10 no PDB 2DHN . "Complex Of 7,8-Dihydroneopterin Aldolase From Staphylococcus Aureus With 6-Hydroxymethyl-7,8-Dihydropterin At 2.2 A Resolution" . . . . . 100.00 121 100.00 100.00 1.56e-81 . . . . 4573 1 11 no PDB 2NM2 . "Crystal Structure Of Dihydroneopterin Aldolase From S. Aureus In Complex With (1s,2r)-Neopterin At 1.50 Angstrom Resolution" . . . . . 100.00 121 100.00 100.00 1.56e-81 . . . . 4573 1 12 no PDB 2NM3 . "Crystal Structure Of Dihydroneopterin Aldolase From S. Aureus In Complex With (1s,2s)-Monapterin At 1.68 Angstrom Resolution" . . . . . 100.00 121 100.00 100.00 1.56e-81 . . . . 4573 1 13 no DBJ BAB41703 . "7,8-dihydroneopterin aldolase [Staphylococcus aureus subsp. aureus N315]" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 14 no DBJ BAB56677 . "7,8-dihydroneopterin aldolase [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 15 no DBJ BAB94335 . "7,8-dihydroneopterin aldolase [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 16 no DBJ BAF66749 . "dihydroneopterin aldolase [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 17 no DBJ BAF77395 . "7,8-dihydroneopterin aldolase [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 18 no EMBL CAG39538 . "dihydroneopterin aldolase [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 100.00 121 100.00 100.00 1.56e-81 . . . . 4573 1 19 no EMBL CAG42247 . "dihydroneopterin aldolase [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 20 no EMBL CAI80152 . "dihydroneopterin aldolase [Staphylococcus aureus RF122]" . . . . . 100.00 121 99.17 100.00 4.35e-81 . . . . 4573 1 21 no EMBL CAQ49018 . "dihydroneopterin aldolase [Staphylococcus aureus subsp. aureus ST398]" . . . . . 100.00 121 98.35 99.17 6.31e-80 . . . . 4573 1 22 no EMBL CBI48462 . "dihydroneopterin aldolase [Staphylococcus aureus subsp. aureus TW20]" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 23 no GB AAW37671 . "dihydroneopterin aldolase [Staphylococcus aureus subsp. aureus COL]" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 24 no GB ABD20664 . "dihydroneopterin aldolase [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 25 no GB ABD29643 . "dihydroneopterin aldolase [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 26 no GB ABQ48341 . "dihydroneopterin aldolase [Staphylococcus aureus subsp. aureus JH9]" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 27 no GB ABR51408 . "dihydroneopterin aldolase [Staphylococcus aureus subsp. aureus JH1]" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 28 no REF WP_001154300 . "dihydroneopterin aldolase [Staphylococcus aureus]" . . . . . 100.00 121 98.35 100.00 7.93e-81 . . . . 4573 1 29 no REF WP_001154301 . "dihydroneopterin aldolase [Staphylococcus aureus]" . . . . . 100.00 121 98.35 99.17 6.31e-80 . . . . 4573 1 30 no REF WP_001154302 . "MULTISPECIES: dihydroneopterin aldolase [Bacteria]" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 31 no REF WP_001154303 . "dihydroneopterin aldolase [Staphylococcus aureus]" . . . . . 100.00 121 100.00 100.00 1.56e-81 . . . . 4573 1 32 no REF WP_001154304 . "dihydroneopterin aldolase [Staphylococcus aureus]" . . . . . 100.00 121 99.17 100.00 4.35e-81 . . . . 4573 1 33 no SP P56740 . "RecName: Full=Dihydroneopterin aldolase; Short=DHNA; AltName: Full=7,8-dihydroneopterin 2'-epimerase; AltName: Full=7,8-dihydro" . . . . . 100.00 121 100.00 100.00 1.56e-81 . . . . 4573 1 34 no SP P64145 . "RecName: Full=Dihydroneopterin aldolase; Short=DHNA; AltName: Full=7,8-dihydroneopterin 2'-epimerase; AltName: Full=7,8-dihydro" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 35 no SP P64146 . "RecName: Full=Dihydroneopterin aldolase; Short=DHNA; AltName: Full=7,8-dihydroneopterin 2'-epimerase; AltName: Full=7,8-dihydro" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 36 no SP P64147 . "RecName: Full=Dihydroneopterin aldolase; Short=DHNA; AltName: Full=7,8-dihydroneopterin 2'-epimerase; AltName: Full=7,8-dihydro" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 37 no SP Q5HIG0 . "RecName: Full=Dihydroneopterin aldolase; Short=DHNA; AltName: Full=7,8-dihydroneopterin 2'-epimerase; AltName: Full=7,8-dihydro" . . . . . 100.00 121 99.17 100.00 4.50e-81 . . . . 4573 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Aldolase common 4573 1 DHNA abbreviation 4573 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 . MET . 4573 1 2 . GLN . 4573 1 3 . ASP . 4573 1 4 . THR . 4573 1 5 . ILE . 4573 1 6 . PHE . 4573 1 7 . LEU . 4573 1 8 . LYS . 4573 1 9 . GLY . 4573 1 10 . MET . 4573 1 11 . ARG . 4573 1 12 . PHE . 4573 1 13 . TYR . 4573 1 14 . GLY . 4573 1 15 . TYR . 4573 1 16 . HIS . 4573 1 17 . GLY . 4573 1 18 . ALA . 4573 1 19 . LEU . 4573 1 20 . SER . 4573 1 21 . ALA . 4573 1 22 . GLU . 4573 1 23 . ASN . 4573 1 24 . GLU . 4573 1 25 . ILE . 4573 1 26 . GLY . 4573 1 27 . GLN . 4573 1 28 . ILE . 4573 1 29 . PHE . 4573 1 30 . LYS . 4573 1 31 . VAL . 4573 1 32 . ASP . 4573 1 33 . VAL . 4573 1 34 . THR . 4573 1 35 . LEU . 4573 1 36 . LYS . 4573 1 37 . VAL . 4573 1 38 . ASP . 4573 1 39 . LEU . 4573 1 40 . SER . 4573 1 41 . GLU . 4573 1 42 . ALA . 4573 1 43 . GLY . 4573 1 44 . ARG . 4573 1 45 . THR . 4573 1 46 . ASP . 4573 1 47 . ASN . 4573 1 48 . VAL . 4573 1 49 . ILE . 4573 1 50 . ASP . 4573 1 51 . THR . 4573 1 52 . VAL . 4573 1 53 . HIS . 4573 1 54 . TYR . 4573 1 55 . GLY . 4573 1 56 . GLU . 4573 1 57 . VAL . 4573 1 58 . PHE . 4573 1 59 . GLU . 4573 1 60 . GLU . 4573 1 61 . VAL . 4573 1 62 . LYS . 4573 1 63 . SER . 4573 1 64 . ILE . 4573 1 65 . MET . 4573 1 66 . GLU . 4573 1 67 . GLY . 4573 1 68 . LYS . 4573 1 69 . ALA . 4573 1 70 . VAL . 4573 1 71 . ASN . 4573 1 72 . LEU . 4573 1 73 . LEU . 4573 1 74 . GLU . 4573 1 75 . HIS . 4573 1 76 . LEU . 4573 1 77 . ALA . 4573 1 78 . GLU . 4573 1 79 . ARG . 4573 1 80 . ILE . 4573 1 81 . ALA . 4573 1 82 . ASN . 4573 1 83 . ARG . 4573 1 84 . ILE . 4573 1 85 . ASN . 4573 1 86 . SER . 4573 1 87 . GLN . 4573 1 88 . TYR . 4573 1 89 . ASN . 4573 1 90 . ARG . 4573 1 91 . VAL . 4573 1 92 . MET . 4573 1 93 . GLU . 4573 1 94 . THR . 4573 1 95 . LYS . 4573 1 96 . VAL . 4573 1 97 . ARG . 4573 1 98 . ILE . 4573 1 99 . THR . 4573 1 100 . LYS . 4573 1 101 . GLU . 4573 1 102 . ASN . 4573 1 103 . PRO . 4573 1 104 . PRO . 4573 1 105 . ILE . 4573 1 106 . PRO . 4573 1 107 . GLY . 4573 1 108 . HIS . 4573 1 109 . TYR . 4573 1 110 . ASP . 4573 1 111 . GLY . 4573 1 112 . VAL . 4573 1 113 . GLY . 4573 1 114 . ILE . 4573 1 115 . GLU . 4573 1 116 . ILE . 4573 1 117 . VAL . 4573 1 118 . ARG . 4573 1 119 . GLU . 4573 1 120 . ASN . 4573 1 121 . LYS . 4573 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 . MET 1 1 4573 1 . GLN 2 2 4573 1 . ASP 3 3 4573 1 . THR 4 4 4573 1 . ILE 5 5 4573 1 . PHE 6 6 4573 1 . LEU 7 7 4573 1 . LYS 8 8 4573 1 . GLY 9 9 4573 1 . MET 10 10 4573 1 . ARG 11 11 4573 1 . PHE 12 12 4573 1 . TYR 13 13 4573 1 . GLY 14 14 4573 1 . TYR 15 15 4573 1 . HIS 16 16 4573 1 . GLY 17 17 4573 1 . ALA 18 18 4573 1 . LEU 19 19 4573 1 . SER 20 20 4573 1 . ALA 21 21 4573 1 . GLU 22 22 4573 1 . ASN 23 23 4573 1 . GLU 24 24 4573 1 . ILE 25 25 4573 1 . GLY 26 26 4573 1 . GLN 27 27 4573 1 . ILE 28 28 4573 1 . PHE 29 29 4573 1 . LYS 30 30 4573 1 . VAL 31 31 4573 1 . ASP 32 32 4573 1 . VAL 33 33 4573 1 . THR 34 34 4573 1 . LEU 35 35 4573 1 . LYS 36 36 4573 1 . VAL 37 37 4573 1 . ASP 38 38 4573 1 . LEU 39 39 4573 1 . SER 40 40 4573 1 . GLU 41 41 4573 1 . ALA 42 42 4573 1 . GLY 43 43 4573 1 . ARG 44 44 4573 1 . THR 45 45 4573 1 . ASP 46 46 4573 1 . ASN 47 47 4573 1 . VAL 48 48 4573 1 . ILE 49 49 4573 1 . ASP 50 50 4573 1 . THR 51 51 4573 1 . VAL 52 52 4573 1 . HIS 53 53 4573 1 . TYR 54 54 4573 1 . GLY 55 55 4573 1 . GLU 56 56 4573 1 . VAL 57 57 4573 1 . PHE 58 58 4573 1 . GLU 59 59 4573 1 . GLU 60 60 4573 1 . VAL 61 61 4573 1 . LYS 62 62 4573 1 . SER 63 63 4573 1 . ILE 64 64 4573 1 . MET 65 65 4573 1 . GLU 66 66 4573 1 . GLY 67 67 4573 1 . LYS 68 68 4573 1 . ALA 69 69 4573 1 . VAL 70 70 4573 1 . ASN 71 71 4573 1 . LEU 72 72 4573 1 . LEU 73 73 4573 1 . GLU 74 74 4573 1 . HIS 75 75 4573 1 . LEU 76 76 4573 1 . ALA 77 77 4573 1 . GLU 78 78 4573 1 . ARG 79 79 4573 1 . ILE 80 80 4573 1 . ALA 81 81 4573 1 . ASN 82 82 4573 1 . ARG 83 83 4573 1 . ILE 84 84 4573 1 . ASN 85 85 4573 1 . SER 86 86 4573 1 . GLN 87 87 4573 1 . TYR 88 88 4573 1 . ASN 89 89 4573 1 . ARG 90 90 4573 1 . VAL 91 91 4573 1 . MET 92 92 4573 1 . GLU 93 93 4573 1 . THR 94 94 4573 1 . LYS 95 95 4573 1 . VAL 96 96 4573 1 . ARG 97 97 4573 1 . ILE 98 98 4573 1 . THR 99 99 4573 1 . LYS 100 100 4573 1 . GLU 101 101 4573 1 . ASN 102 102 4573 1 . PRO 103 103 4573 1 . PRO 104 104 4573 1 . ILE 105 105 4573 1 . PRO 106 106 4573 1 . GLY 107 107 4573 1 . HIS 108 108 4573 1 . TYR 109 109 4573 1 . ASP 110 110 4573 1 . GLY 111 111 4573 1 . VAL 112 112 4573 1 . GLY 113 113 4573 1 . ILE 114 114 4573 1 . GLU 115 115 4573 1 . ILE 116 116 4573 1 . VAL 117 117 4573 1 . ARG 118 118 4573 1 . GLU 119 119 4573 1 . ASN 120 120 4573 1 . LYS 121 121 4573 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 4573 _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 $DHNA . 1280 . . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . ; Staphylococcus aureus 7,8-dihydroneopterin aldolase (DHNA) was overexpressed in E.coli M15(pRep4) harboring a pSaDHNA plasmid ; . . 4573 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 4573 _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 $DHNA . 'recombinant technology' . S.aureus . . . . . . . . . . . . . . . . . . . . . . . . ; Staphylococcus aureus 7,8-dihydroneopterin aldolase (DHNA) was overexpressed in E.coli M15(pRep4) harboring a pSaDHNA plasmid ; . . 4573 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_label _Sample.Sf_category sample _Sample.Sf_framecode sample_label _Sample.Entry_ID 4573 _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 Aldolase '[U-95% 2H; U-98% 13C; U-99% 15N]' . . 1 $DHNA . . 0.5 . . mM . . . . 4573 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_label _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_label _Sample_condition_list.Entry_ID 4573 _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 pH 6.5 . n/a 4573 1 temperature 293 . K 4573 1 stop_ save_ ############################ # Computer software used # ############################ save_software_label _Software.Sf_category software _Software.Sf_framecode software_label _Software.Entry_ID 4573 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_label _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_label _NMR_spectrometer.Entry_ID 4573 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4573 _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_label Bruker DRX . 750 . . . 4573 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 4573 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_label _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_label _Chem_shift_reference.Entry_ID 4573 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; The 15N and 13C referencing was done using the indirect referencing according to the article Wishart and Sykes (1994), J.Biomol. NMR 4, 171-180. ; 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 H 1 TSP 'methyl protons' . . . . ppm 0.00 . . . . . . . . . . . . 4573 1 C 13 TSP 'methyl protons' . . . . ppm 0.00 . indirect . . . . 2 $ref1 . . . . 4573 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 . indirect . . . . 2 $ref1 . . . . 4573 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_assigned_chemical_shifts_label _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_label _Assigned_chem_shift_list.Entry_ID 4573 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_label _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_label _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 $sample_label . 4573 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 3 3 ASP H H 1 7.54 . . 1 . . . . . . . . 4573 1 2 . 1 1 3 3 ASP C C 13 174.1 . . 1 . . . . . . . . 4573 1 3 . 1 1 3 3 ASP CA C 13 54.3 . . 1 . . . . . . . . 4573 1 4 . 1 1 3 3 ASP CB C 13 40.5 . . 1 . . . . . . . . 4573 1 5 . 1 1 3 3 ASP N N 15 125.0 . . 1 . . . . . . . . 4573 1 6 . 1 1 4 4 THR H H 1 9.29 . . 1 . . . . . . . . 4573 1 7 . 1 1 4 4 THR C C 13 175.9 . . 1 . . . . . . . . 4573 1 8 . 1 1 4 4 THR CA C 13 58.8 . . 1 . . . . . . . . 4573 1 9 . 1 1 4 4 THR N N 15 109.8 . . 1 . . . . . . . . 4573 1 10 . 1 1 5 5 ILE H H 1 8.78 . . 1 . . . . . . . . 4573 1 11 . 1 1 5 5 ILE C C 13 175.1 . . 1 . . . . . . . . 4573 1 12 . 1 1 5 5 ILE CA C 13 59.2 . . 1 . . . . . . . . 4573 1 13 . 1 1 5 5 ILE N N 15 118.7 . . 1 . . . . . . . . 4573 1 14 . 1 1 6 6 PHE CA C 13 54.3 . . 1 . . . . . . . . 4573 1 15 . 1 1 7 7 LEU H H 1 8.85 . . 1 . . . . . . . . 4573 1 16 . 1 1 7 7 LEU C C 13 173.0 . . 1 . . . . . . . . 4573 1 17 . 1 1 7 7 LEU CA C 13 56.3 . . 1 . . . . . . . . 4573 1 18 . 1 1 7 7 LEU CB C 13 42.7 . . 1 . . . . . . . . 4573 1 19 . 1 1 7 7 LEU N N 15 119.5 . . 1 . . . . . . . . 4573 1 20 . 1 1 8 8 LYS H H 1 9.30 . . 1 . . . . . . . . 4573 1 21 . 1 1 8 8 LYS C C 13 175.1 . . 1 . . . . . . . . 4573 1 22 . 1 1 8 8 LYS CA C 13 53.9 . . 1 . . . . . . . . 4573 1 23 . 1 1 8 8 LYS CB C 13 34.1 . . 1 . . . . . . . . 4573 1 24 . 1 1 8 8 LYS N N 15 124.0 . . 1 . . . . . . . . 4573 1 25 . 1 1 9 9 GLY H H 1 9.91 . . 1 . . . . . . . . 4573 1 26 . 1 1 9 9 GLY C C 13 176.4 . . 1 . . . . . . . . 4573 1 27 . 1 1 9 9 GLY CA C 13 46.3 . . 1 . . . . . . . . 4573 1 28 . 1 1 9 9 GLY N N 15 115.6 . . 1 . . . . . . . . 4573 1 29 . 1 1 10 10 MET H H 1 8.78 . . 1 . . . . . . . . 4573 1 30 . 1 1 10 10 MET C C 13 175.1 . . 1 . . . . . . . . 4573 1 31 . 1 1 10 10 MET CA C 13 55.4 . . 1 . . . . . . . . 4573 1 32 . 1 1 10 10 MET CB C 13 34.4 . . 1 . . . . . . . . 4573 1 33 . 1 1 10 10 MET N N 15 118.4 . . 1 . . . . . . . . 4573 1 34 . 1 1 11 11 ARG H H 1 8.37 . . 1 . . . . . . . . 4573 1 35 . 1 1 11 11 ARG C C 13 175.4 . . 1 . . . . . . . . 4573 1 36 . 1 1 11 11 ARG CA C 13 53.9 . . 1 . . . . . . . . 4573 1 37 . 1 1 11 11 ARG CB C 13 32.2 . . 1 . . . . . . . . 4573 1 38 . 1 1 11 11 ARG N N 15 122.3 . . 1 . . . . . . . . 4573 1 39 . 1 1 12 12 PHE H H 1 8.70 . . 1 . . . . . . . . 4573 1 40 . 1 1 12 12 PHE C C 13 174.4 . . 1 . . . . . . . . 4573 1 41 . 1 1 12 12 PHE CA C 13 54.9 . . 1 . . . . . . . . 4573 1 42 . 1 1 12 12 PHE CB C 13 42.3 . . 1 . . . . . . . . 4573 1 43 . 1 1 12 12 PHE N N 15 119.0 . . 1 . . . . . . . . 4573 1 44 . 1 1 13 13 TYR H H 1 9.77 . . 1 . . . . . . . . 4573 1 45 . 1 1 13 13 TYR C C 13 173.8 . . 1 . . . . . . . . 4573 1 46 . 1 1 13 13 TYR CA C 13 57.7 . . 1 . . . . . . . . 4573 1 47 . 1 1 13 13 TYR CB C 13 36.9 . . 1 . . . . . . . . 4573 1 48 . 1 1 13 13 TYR N N 15 129.1 . . 1 . . . . . . . . 4573 1 49 . 1 1 14 14 GLY H H 1 8.33 . . 1 . . . . . . . . 4573 1 50 . 1 1 14 14 GLY C C 13 175.1 . . 1 . . . . . . . . 4573 1 51 . 1 1 14 14 GLY CA C 13 43.2 . . 1 . . . . . . . . 4573 1 52 . 1 1 14 14 GLY N N 15 114.4 . . 1 . . . . . . . . 4573 1 53 . 1 1 15 15 TYR H H 1 7.57 . . 1 . . . . . . . . 4573 1 54 . 1 1 15 15 TYR C C 13 172.1 . . 1 . . . . . . . . 4573 1 55 . 1 1 15 15 TYR CA C 13 57.9 . . 1 . . . . . . . . 4573 1 56 . 1 1 15 15 TYR N N 15 113.5 . . 1 . . . . . . . . 4573 1 57 . 1 1 16 16 HIS H H 1 6.28 . . 1 . . . . . . . . 4573 1 58 . 1 1 16 16 HIS C C 13 173.8 . . 1 . . . . . . . . 4573 1 59 . 1 1 16 16 HIS CA C 13 54.4 . . 1 . . . . . . . . 4573 1 60 . 1 1 16 16 HIS CB C 13 30.5 . . 1 . . . . . . . . 4573 1 61 . 1 1 16 16 HIS N N 15 117.6 . . 1 . . . . . . . . 4573 1 62 . 1 1 17 17 GLY H H 1 9.19 . . 1 . . . . . . . . 4573 1 63 . 1 1 17 17 GLY C C 13 175.9 . . 1 . . . . . . . . 4573 1 64 . 1 1 17 17 GLY CA C 13 44.7 . . 1 . . . . . . . . 4573 1 65 . 1 1 17 17 GLY N N 15 110.5 . . 1 . . . . . . . . 4573 1 66 . 1 1 18 18 ALA H H 1 8.02 . . 1 . . . . . . . . 4573 1 67 . 1 1 18 18 ALA C C 13 172.9 . . 1 . . . . . . . . 4573 1 68 . 1 1 18 18 ALA CA C 13 51.3 . . 1 . . . . . . . . 4573 1 69 . 1 1 18 18 ALA CB C 13 18.3 . . 1 . . . . . . . . 4573 1 70 . 1 1 18 18 ALA N N 15 122.1 . . 1 . . . . . . . . 4573 1 71 . 1 1 19 19 LEU H H 1 7.64 . . 1 . . . . . . . . 4573 1 72 . 1 1 19 19 LEU C C 13 177.7 . . 1 . . . . . . . . 4573 1 73 . 1 1 19 19 LEU CA C 13 52.6 . . 1 . . . . . . . . 4573 1 74 . 1 1 19 19 LEU CB C 13 41.4 . . 1 . . . . . . . . 4573 1 75 . 1 1 19 19 LEU N N 15 118.8 . . 1 . . . . . . . . 4573 1 76 . 1 1 20 20 SER H H 1 8.90 . . 1 . . . . . . . . 4573 1 77 . 1 1 20 20 SER C C 13 177.6 . . 1 . . . . . . . . 4573 1 78 . 1 1 20 20 SER CA C 13 60.7 . . 1 . . . . . . . . 4573 1 79 . 1 1 20 20 SER N N 15 121.8 . . 1 . . . . . . . . 4573 1 80 . 1 1 21 21 ALA H H 1 8.81 . . 1 . . . . . . . . 4573 1 81 . 1 1 21 21 ALA C C 13 177.6 . . 1 . . . . . . . . 4573 1 82 . 1 1 21 21 ALA CA C 13 54.6 . . 1 . . . . . . . . 4573 1 83 . 1 1 21 21 ALA CB C 13 19.0 . . 1 . . . . . . . . 4573 1 84 . 1 1 21 21 ALA N N 15 122.9 . . 1 . . . . . . . . 4573 1 85 . 1 1 22 22 GLU H H 1 7.00 . . 1 . . . . . . . . 4573 1 86 . 1 1 22 22 GLU C C 13 177.8 . . 1 . . . . . . . . 4573 1 87 . 1 1 22 22 GLU CA C 13 58.5 . . 1 . . . . . . . . 4573 1 88 . 1 1 22 22 GLU CB C 13 30.2 . . 1 . . . . . . . . 4573 1 89 . 1 1 22 22 GLU N N 15 115.0 . . 1 . . . . . . . . 4573 1 90 . 1 1 23 23 ASN H H 1 7.54 . . 1 . . . . . . . . 4573 1 91 . 1 1 23 23 ASN C C 13 172.8 . . 1 . . . . . . . . 4573 1 92 . 1 1 23 23 ASN CA C 13 54.0 . . 1 . . . . . . . . 4573 1 93 . 1 1 23 23 ASN CB C 13 38.1 . . 1 . . . . . . . . 4573 1 94 . 1 1 23 23 ASN N N 15 118.2 . . 1 . . . . . . . . 4573 1 95 . 1 1 24 24 GLU H H 1 7.60 . . 1 . . . . . . . . 4573 1 96 . 1 1 24 24 GLU C C 13 175.1 . . 1 . . . . . . . . 4573 1 97 . 1 1 24 24 GLU CA C 13 57.6 . . 1 . . . . . . . . 4573 1 98 . 1 1 24 24 GLU N N 15 117.0 . . 1 . . . . . . . . 4573 1 99 . 1 1 25 25 ILE H H 1 8.17 . . 1 . . . . . . . . 4573 1 100 . 1 1 25 25 ILE C C 13 176.4 . . 1 . . . . . . . . 4573 1 101 . 1 1 25 25 ILE CA C 13 61.8 . . 1 . . . . . . . . 4573 1 102 . 1 1 25 25 ILE N N 15 122.4 . . 1 . . . . . . . . 4573 1 103 . 1 1 26 26 GLY H H 1 7.85 . . 1 . . . . . . . . 4573 1 104 . 1 1 26 26 GLY C C 13 178.5 . . 1 . . . . . . . . 4573 1 105 . 1 1 26 26 GLY CA C 13 45.4 . . 1 . . . . . . . . 4573 1 106 . 1 1 26 26 GLY N N 15 111.9 . . 1 . . . . . . . . 4573 1 107 . 1 1 27 27 GLN H H 1 7.63 . . 1 . . . . . . . . 4573 1 108 . 1 1 27 27 GLN C C 13 171.3 . . 1 . . . . . . . . 4573 1 109 . 1 1 27 27 GLN CA C 13 54.2 . . 1 . . . . . . . . 4573 1 110 . 1 1 27 27 GLN CB C 13 30.3 . . 1 . . . . . . . . 4573 1 111 . 1 1 27 27 GLN N N 15 111.8 . . 1 . . . . . . . . 4573 1 112 . 1 1 28 28 ILE H H 1 8.34 . . 1 . . . . . . . . 4573 1 113 . 1 1 28 28 ILE C C 13 172.1 . . 1 . . . . . . . . 4573 1 114 . 1 1 28 28 ILE CA C 13 56.8 . . 1 . . . . . . . . 4573 1 115 . 1 1 28 28 ILE CB C 13 34.8 . . 1 . . . . . . . . 4573 1 116 . 1 1 28 28 ILE N N 15 117.9 . . 1 . . . . . . . . 4573 1 117 . 1 1 29 29 PHE H H 1 9.26 . . 1 . . . . . . . . 4573 1 118 . 1 1 29 29 PHE C C 13 176.3 . . 1 . . . . . . . . 4573 1 119 . 1 1 29 29 PHE CA C 13 56.0 . . 1 . . . . . . . . 4573 1 120 . 1 1 29 29 PHE CB C 13 42.1 . . 1 . . . . . . . . 4573 1 121 . 1 1 29 29 PHE N N 15 126.9 . . 1 . . . . . . . . 4573 1 122 . 1 1 30 30 LYS CA C 13 53.7 . . 1 . . . . . . . . 4573 1 123 . 1 1 31 31 VAL H H 1 10.25 . . 1 . . . . . . . . 4573 1 124 . 1 1 31 31 VAL C C 13 179.0 . . 1 . . . . . . . . 4573 1 125 . 1 1 31 31 VAL CA C 13 59.8 . . 1 . . . . . . . . 4573 1 126 . 1 1 31 31 VAL N N 15 127.6 . . 1 . . . . . . . . 4573 1 127 . 1 1 32 32 ASP H H 1 9.41 . . 1 . . . . . . . . 4573 1 128 . 1 1 32 32 ASP C C 13 173.7 . . 1 . . . . . . . . 4573 1 129 . 1 1 32 32 ASP CA C 13 51.9 . . 1 . . . . . . . . 4573 1 130 . 1 1 32 32 ASP CB C 13 43.3 . . 1 . . . . . . . . 4573 1 131 . 1 1 32 32 ASP N N 15 126.4 . . 1 . . . . . . . . 4573 1 132 . 1 1 33 33 VAL H H 1 9.06 . . 1 . . . . . . . . 4573 1 133 . 1 1 33 33 VAL C C 13 176.0 . . 1 . . . . . . . . 4573 1 134 . 1 1 33 33 VAL CA C 13 60.0 . . 1 . . . . . . . . 4573 1 135 . 1 1 33 33 VAL CB C 13 34.5 . . 1 . . . . . . . . 4573 1 136 . 1 1 33 33 VAL N N 15 122.7 . . 1 . . . . . . . . 4573 1 137 . 1 1 34 34 THR H H 1 8.94 . . 1 . . . . . . . . 4573 1 138 . 1 1 34 34 THR C C 13 174.1 . . 1 . . . . . . . . 4573 1 139 . 1 1 34 34 THR CA C 13 61.5 . . 1 . . . . . . . . 4573 1 140 . 1 1 34 34 THR CB C 13 69.3 . . 1 . . . . . . . . 4573 1 141 . 1 1 34 34 THR N N 15 123.7 . . 1 . . . . . . . . 4573 1 142 . 1 1 35 35 LEU H H 1 10.01 . . 1 . . . . . . . . 4573 1 143 . 1 1 35 35 LEU C C 13 172.7 . . 1 . . . . . . . . 4573 1 144 . 1 1 35 35 LEU CA C 13 51.9 . . 1 . . . . . . . . 4573 1 145 . 1 1 35 35 LEU CB C 13 41.9 . . 1 . . . . . . . . 4573 1 146 . 1 1 35 35 LEU N N 15 129.3 . . 1 . . . . . . . . 4573 1 147 . 1 1 36 36 LYS H H 1 8.49 . . 1 . . . . . . . . 4573 1 148 . 1 1 36 36 LYS C C 13 175.4 . . 1 . . . . . . . . 4573 1 149 . 1 1 36 36 LYS CA C 13 55.4 . . 1 . . . . . . . . 4573 1 150 . 1 1 36 36 LYS N N 15 125.1 . . 1 . . . . . . . . 4573 1 151 . 1 1 37 37 VAL H H 1 7.74 . . 1 . . . . . . . . 4573 1 152 . 1 1 37 37 VAL C C 13 175.0 . . 1 . . . . . . . . 4573 1 153 . 1 1 37 37 VAL CA C 13 59.5 . . 1 . . . . . . . . 4573 1 154 . 1 1 37 37 VAL CB C 13 36.0 . . 1 . . . . . . . . 4573 1 155 . 1 1 37 37 VAL N N 15 127.8 . . 1 . . . . . . . . 4573 1 156 . 1 1 38 38 ASP H H 1 8.79 . . 1 . . . . . . . . 4573 1 157 . 1 1 38 38 ASP C C 13 172.0 . . 1 . . . . . . . . 4573 1 158 . 1 1 38 38 ASP CA C 13 54.0 . . 1 . . . . . . . . 4573 1 159 . 1 1 38 38 ASP CB C 13 39.4 . . 1 . . . . . . . . 4573 1 160 . 1 1 38 38 ASP N N 15 122.8 . . 1 . . . . . . . . 4573 1 161 . 1 1 39 39 LEU H H 1 8.93 . . 1 . . . . . . . . 4573 1 162 . 1 1 39 39 LEU C C 13 177.6 . . 1 . . . . . . . . 4573 1 163 . 1 1 39 39 LEU CA C 13 54.0 . . 1 . . . . . . . . 4573 1 164 . 1 1 39 39 LEU CB C 13 39.1 . . 1 . . . . . . . . 4573 1 165 . 1 1 39 39 LEU N N 15 131.6 . . 1 . . . . . . . . 4573 1 166 . 1 1 40 40 SER H H 1 8.56 . . 1 . . . . . . . . 4573 1 167 . 1 1 40 40 SER C C 13 177.5 . . 1 . . . . . . . . 4573 1 168 . 1 1 40 40 SER CA C 13 61.1 . . 1 . . . . . . . . 4573 1 169 . 1 1 40 40 SER CB C 13 66.8 . . 1 . . . . . . . . 4573 1 170 . 1 1 40 40 SER N N 15 117.0 . . 1 . . . . . . . . 4573 1 171 . 1 1 41 41 GLU H H 1 7.78 . . 1 . . . . . . . . 4573 1 172 . 1 1 41 41 GLU C C 13 176.7 . . 1 . . . . . . . . 4573 1 173 . 1 1 41 41 GLU CA C 13 59.0 . . 1 . . . . . . . . 4573 1 174 . 1 1 41 41 GLU CB C 13 27.7 . . 1 . . . . . . . . 4573 1 175 . 1 1 41 41 GLU N N 15 124.6 . . 1 . . . . . . . . 4573 1 176 . 1 1 42 42 ALA H H 1 8.62 . . 1 . . . . . . . . 4573 1 177 . 1 1 42 42 ALA C C 13 177.8 . . 1 . . . . . . . . 4573 1 178 . 1 1 42 42 ALA CA C 13 53.2 . . 1 . . . . . . . . 4573 1 179 . 1 1 42 42 ALA CB C 13 17.8 . . 1 . . . . . . . . 4573 1 180 . 1 1 42 42 ALA N N 15 122.6 . . 1 . . . . . . . . 4573 1 181 . 1 1 43 43 GLY H H 1 8.41 . . 1 . . . . . . . . 4573 1 182 . 1 1 43 43 GLY C C 13 179.9 . . 1 . . . . . . . . 4573 1 183 . 1 1 43 43 GLY CA C 13 45.6 . . 1 . . . . . . . . 4573 1 184 . 1 1 43 43 GLY N N 15 103.4 . . 1 . . . . . . . . 4573 1 185 . 1 1 44 44 ARG H H 1 7.76 . . 1 . . . . . . . . 4573 1 186 . 1 1 44 44 ARG C C 13 176.1 . . 1 . . . . . . . . 4573 1 187 . 1 1 44 44 ARG CA C 13 57.3 . . 1 . . . . . . . . 4573 1 188 . 1 1 44 44 ARG N N 15 122.6 . . 1 . . . . . . . . 4573 1 189 . 1 1 45 45 THR H H 1 8.85 . . 1 . . . . . . . . 4573 1 190 . 1 1 45 45 THR C C 13 178.2 . . 1 . . . . . . . . 4573 1 191 . 1 1 45 45 THR CA C 13 62.6 . . 1 . . . . . . . . 4573 1 192 . 1 1 45 45 THR CB C 13 69.1 . . 1 . . . . . . . . 4573 1 193 . 1 1 45 45 THR N N 15 110.8 . . 1 . . . . . . . . 4573 1 194 . 1 1 46 46 ASP H H 1 8.80 . . 1 . . . . . . . . 4573 1 195 . 1 1 46 46 ASP C C 13 176.8 . . 1 . . . . . . . . 4573 1 196 . 1 1 46 46 ASP CA C 13 55.5 . . 1 . . . . . . . . 4573 1 197 . 1 1 46 46 ASP CB C 13 40.9 . . 1 . . . . . . . . 4573 1 198 . 1 1 46 46 ASP N N 15 121.9 . . 1 . . . . . . . . 4573 1 199 . 1 1 47 47 ASN H H 1 7.79 . . 1 . . . . . . . . 4573 1 200 . 1 1 47 47 ASN C C 13 174.3 . . 1 . . . . . . . . 4573 1 201 . 1 1 47 47 ASN CA C 13 50.8 . . 1 . . . . . . . . 4573 1 202 . 1 1 47 47 ASN CB C 13 38.5 . . 1 . . . . . . . . 4573 1 203 . 1 1 47 47 ASN N N 15 116.2 . . 1 . . . . . . . . 4573 1 204 . 1 1 48 48 VAL H H 1 8.51 . . 1 . . . . . . . . 4573 1 205 . 1 1 48 48 VAL C C 13 175.9 . . 1 . . . . . . . . 4573 1 206 . 1 1 48 48 VAL CA C 13 63.4 . . 1 . . . . . . . . 4573 1 207 . 1 1 48 48 VAL CB C 13 30.6 . . 1 . . . . . . . . 4573 1 208 . 1 1 48 48 VAL N N 15 123.9 . . 1 . . . . . . . . 4573 1 209 . 1 1 49 49 ILE H H 1 7.76 . . 1 . . . . . . . . 4573 1 210 . 1 1 49 49 ILE C C 13 176.7 . . 1 . . . . . . . . 4573 1 211 . 1 1 49 49 ILE CA C 13 61.9 . . 1 . . . . . . . . 4573 1 212 . 1 1 49 49 ILE CB C 13 36.4 . . 1 . . . . . . . . 4573 1 213 . 1 1 49 49 ILE N N 15 118.7 . . 1 . . . . . . . . 4573 1 214 . 1 1 50 50 ASP H H 1 7.84 . . 1 . . . . . . . . 4573 1 215 . 1 1 50 50 ASP C C 13 176.4 . . 1 . . . . . . . . 4573 1 216 . 1 1 50 50 ASP CA C 13 54.2 . . 1 . . . . . . . . 4573 1 217 . 1 1 50 50 ASP CB C 13 40.5 . . 1 . . . . . . . . 4573 1 218 . 1 1 50 50 ASP N N 15 119.4 . . 1 . . . . . . . . 4573 1 219 . 1 1 51 51 THR H H 1 7.11 . . 1 . . . . . . . . 4573 1 220 . 1 1 51 51 THR C C 13 174.3 . . 1 . . . . . . . . 4573 1 221 . 1 1 51 51 THR CA C 13 57.5 . . 1 . . . . . . . . 4573 1 222 . 1 1 51 51 THR N N 15 114.8 . . 1 . . . . . . . . 4573 1 223 . 1 1 52 52 VAL H H 1 7.95 . . 1 . . . . . . . . 4573 1 224 . 1 1 52 52 VAL C C 13 172.6 . . 1 . . . . . . . . 4573 1 225 . 1 1 52 52 VAL CA C 13 60.1 . . 1 . . . . . . . . 4573 1 226 . 1 1 52 52 VAL CB C 13 32.1 . . 1 . . . . . . . . 4573 1 227 . 1 1 52 52 VAL N N 15 122.7 . . 1 . . . . . . . . 4573 1 228 . 1 1 53 53 HIS H H 1 8.49 . . 1 . . . . . . . . 4573 1 229 . 1 1 53 53 HIS C C 13 174.1 . . 1 . . . . . . . . 4573 1 230 . 1 1 53 53 HIS CA C 13 55.4 . . 1 . . . . . . . . 4573 1 231 . 1 1 53 53 HIS CB C 13 29.7 . . 1 . . . . . . . . 4573 1 232 . 1 1 53 53 HIS N N 15 126.6 . . 1 . . . . . . . . 4573 1 233 . 1 1 54 54 TYR H H 1 6.74 . . 1 . . . . . . . . 4573 1 234 . 1 1 54 54 TYR C C 13 176.5 . . 1 . . . . . . . . 4573 1 235 . 1 1 54 54 TYR CA C 13 58.3 . . 1 . . . . . . . . 4573 1 236 . 1 1 54 54 TYR N N 15 123.8 . . 1 . . . . . . . . 4573 1 237 . 1 1 55 55 GLY H H 1 8.84 . . 1 . . . . . . . . 4573 1 238 . 1 1 55 55 GLY C C 13 178.8 . . 1 . . . . . . . . 4573 1 239 . 1 1 55 55 GLY CA C 13 46.3 . . 1 . . . . . . . . 4573 1 240 . 1 1 55 55 GLY N N 15 107.1 . . 1 . . . . . . . . 4573 1 241 . 1 1 56 56 GLU H H 1 7.71 . . 1 . . . . . . . . 4573 1 242 . 1 1 56 56 GLU C C 13 176.1 . . 1 . . . . . . . . 4573 1 243 . 1 1 56 56 GLU CA C 13 58.0 . . 1 . . . . . . . . 4573 1 244 . 1 1 56 56 GLU N N 15 122.8 . . 1 . . . . . . . . 4573 1 245 . 1 1 57 57 VAL H H 1 7.22 . . 1 . . . . . . . . 4573 1 246 . 1 1 57 57 VAL C C 13 179.4 . . 1 . . . . . . . . 4573 1 247 . 1 1 57 57 VAL CA C 13 65.9 . . 1 . . . . . . . . 4573 1 248 . 1 1 57 57 VAL N N 15 119.3 . . 1 . . . . . . . . 4573 1 249 . 1 1 58 58 PHE H H 1 8.33 . . 1 . . . . . . . . 4573 1 250 . 1 1 58 58 PHE C C 13 177.5 . . 1 . . . . . . . . 4573 1 251 . 1 1 58 58 PHE CA C 13 61.9 . . 1 . . . . . . . . 4573 1 252 . 1 1 58 58 PHE CB C 13 37.9 . . 1 . . . . . . . . 4573 1 253 . 1 1 58 58 PHE N N 15 119.6 . . 1 . . . . . . . . 4573 1 254 . 1 1 59 59 GLU H H 1 7.78 . . 1 . . . . . . . . 4573 1 255 . 1 1 59 59 GLU C C 13 176.3 . . 1 . . . . . . . . 4573 1 256 . 1 1 59 59 GLU CA C 13 58.3 . . 1 . . . . . . . . 4573 1 257 . 1 1 59 59 GLU CB C 13 28.0 . . 1 . . . . . . . . 4573 1 258 . 1 1 59 59 GLU N N 15 117.0 . . 1 . . . . . . . . 4573 1 259 . 1 1 60 60 GLU H H 1 7.65 . . 1 . . . . . . . . 4573 1 260 . 1 1 60 60 GLU C C 13 179.6 . . 1 . . . . . . . . 4573 1 261 . 1 1 60 60 GLU CA C 13 57.5 . . 1 . . . . . . . . 4573 1 262 . 1 1 60 60 GLU CB C 13 27.7 . . 1 . . . . . . . . 4573 1 263 . 1 1 60 60 GLU N N 15 118.8 . . 1 . . . . . . . . 4573 1 264 . 1 1 61 61 VAL CA C 13 65.8 . . 1 . . . . . . . . 4573 1 265 . 1 1 62 62 LYS H H 1 8.51 . . 1 . . . . . . . . 4573 1 266 . 1 1 62 62 LYS C C 13 177.1 . . 1 . . . . . . . . 4573 1 267 . 1 1 62 62 LYS CA C 13 58.6 . . 1 . . . . . . . . 4573 1 268 . 1 1 62 62 LYS CB C 13 31.2 . . 1 . . . . . . . . 4573 1 269 . 1 1 62 62 LYS N N 15 121.7 . . 1 . . . . . . . . 4573 1 270 . 1 1 63 63 SER H H 1 7.70 . . 1 . . . . . . . . 4573 1 271 . 1 1 63 63 SER C C 13 177.1 . . 1 . . . . . . . . 4573 1 272 . 1 1 63 63 SER CA C 13 60.2 . . 1 . . . . . . . . 4573 1 273 . 1 1 63 63 SER CB C 13 61.6 . . 1 . . . . . . . . 4573 1 274 . 1 1 63 63 SER N N 15 111.1 . . 1 . . . . . . . . 4573 1 275 . 1 1 64 64 ILE H H 1 6.66 . . 1 . . . . . . . . 4573 1 276 . 1 1 64 64 ILE C C 13 176.8 . . 1 . . . . . . . . 4573 1 277 . 1 1 64 64 ILE CA C 13 63.0 . . 1 . . . . . . . . 4573 1 278 . 1 1 64 64 ILE CB C 13 37.5 . . 1 . . . . . . . . 4573 1 279 . 1 1 64 64 ILE N N 15 119.8 . . 1 . . . . . . . . 4573 1 280 . 1 1 65 65 MET H H 1 8.19 . . 1 . . . . . . . . 4573 1 281 . 1 1 65 65 MET C C 13 178.5 . . 1 . . . . . . . . 4573 1 282 . 1 1 65 65 MET CA C 13 54.5 . . 1 . . . . . . . . 4573 1 283 . 1 1 65 65 MET N N 15 117.0 . . 1 . . . . . . . . 4573 1 284 . 1 1 66 66 GLU H H 1 8.42 . . 1 . . . . . . . . 4573 1 285 . 1 1 66 66 GLU C C 13 179.4 . . 1 . . . . . . . . 4573 1 286 . 1 1 66 66 GLU CA C 13 55.3 . . 1 . . . . . . . . 4573 1 287 . 1 1 66 66 GLU CB C 13 27.6 . . 1 . . . . . . . . 4573 1 288 . 1 1 66 66 GLU N N 15 116.7 . . 1 . . . . . . . . 4573 1 289 . 1 1 67 67 GLY H H 1 6.83 . . 1 . . . . . . . . 4573 1 290 . 1 1 67 67 GLY C C 13 176.2 . . 1 . . . . . . . . 4573 1 291 . 1 1 67 67 GLY CA C 13 43.3 . . 1 . . . . . . . . 4573 1 292 . 1 1 67 67 GLY N N 15 108.5 . . 1 . . . . . . . . 4573 1 293 . 1 1 68 68 LYS H H 1 7.94 . . 1 . . . . . . . . 4573 1 294 . 1 1 68 68 LYS C C 13 171.8 . . 1 . . . . . . . . 4573 1 295 . 1 1 68 68 LYS CA C 13 56.2 . . 1 . . . . . . . . 4573 1 296 . 1 1 68 68 LYS CB C 13 31.3 . . 1 . . . . . . . . 4573 1 297 . 1 1 68 68 LYS N N 15 120.1 . . 1 . . . . . . . . 4573 1 298 . 1 1 69 69 ALA H H 1 8.05 . . 1 . . . . . . . . 4573 1 299 . 1 1 69 69 ALA C C 13 176.2 . . 1 . . . . . . . . 4573 1 300 . 1 1 69 69 ALA CA C 13 51.6 . . 1 . . . . . . . . 4573 1 301 . 1 1 69 69 ALA CB C 13 18.0 . . 1 . . . . . . . . 4573 1 302 . 1 1 69 69 ALA N N 15 126.0 . . 1 . . . . . . . . 4573 1 303 . 1 1 70 70 VAL H H 1 10.16 . . 1 . . . . . . . . 4573 1 304 . 1 1 70 70 VAL C C 13 178.6 . . 1 . . . . . . . . 4573 1 305 . 1 1 70 70 VAL CA C 13 58.0 . . 1 . . . . . . . . 4573 1 306 . 1 1 70 70 VAL CB C 13 31.3 . . 1 . . . . . . . . 4573 1 307 . 1 1 70 70 VAL N N 15 122.3 . . 1 . . . . . . . . 4573 1 308 . 1 1 71 71 ASN H H 1 11.21 . . 1 . . . . . . . . 4573 1 309 . 1 1 71 71 ASN C C 13 175.1 . . 1 . . . . . . . . 4573 1 310 . 1 1 71 71 ASN CA C 13 55.9 . . 1 . . . . . . . . 4573 1 311 . 1 1 71 71 ASN N N 15 121.1 . . 1 . . . . . . . . 4573 1 312 . 1 1 72 72 LEU H H 1 10.32 . . 1 . . . . . . . . 4573 1 313 . 1 1 72 72 LEU C C 13 174.9 . . 1 . . . . . . . . 4573 1 314 . 1 1 72 72 LEU CA C 13 53.3 . . 1 . . . . . . . . 4573 1 315 . 1 1 72 72 LEU CB C 13 45.4 . . 1 . . . . . . . . 4573 1 316 . 1 1 72 72 LEU N N 15 119.2 . . 1 . . . . . . . . 4573 1 317 . 1 1 73 73 LEU H H 1 8.22 . . 1 . . . . . . . . 4573 1 318 . 1 1 73 73 LEU C C 13 178.3 . . 1 . . . . . . . . 4573 1 319 . 1 1 73 73 LEU CA C 13 56.8 . . 1 . . . . . . . . 4573 1 320 . 1 1 73 73 LEU CB C 13 41.6 . . 1 . . . . . . . . 4573 1 321 . 1 1 73 73 LEU N N 15 121.2 . . 1 . . . . . . . . 4573 1 322 . 1 1 74 74 GLU H H 1 12.17 . . 1 . . . . . . . . 4573 1 323 . 1 1 74 74 GLU C C 13 178.7 . . 1 . . . . . . . . 4573 1 324 . 1 1 74 74 GLU CA C 13 60.1 . . 1 . . . . . . . . 4573 1 325 . 1 1 74 74 GLU N N 15 120.5 . . 1 . . . . . . . . 4573 1 326 . 1 1 75 75 HIS H H 1 6.82 . . 1 . . . . . . . . 4573 1 327 . 1 1 75 75 HIS C C 13 172.2 . . 1 . . . . . . . . 4573 1 328 . 1 1 75 75 HIS CA C 13 57.2 . . 1 . . . . . . . . 4573 1 329 . 1 1 75 75 HIS N N 15 117.5 . . 1 . . . . . . . . 4573 1 330 . 1 1 76 76 LEU H H 1 8.50 . . 1 . . . . . . . . 4573 1 331 . 1 1 76 76 LEU C C 13 176.3 . . 1 . . . . . . . . 4573 1 332 . 1 1 76 76 LEU CA C 13 55.5 . . 1 . . . . . . . . 4573 1 333 . 1 1 76 76 LEU N N 15 123.9 . . 1 . . . . . . . . 4573 1 334 . 1 1 77 77 ALA H H 1 8.54 . . 1 . . . . . . . . 4573 1 335 . 1 1 77 77 ALA C C 13 168.9 . . 1 . . . . . . . . 4573 1 336 . 1 1 77 77 ALA CA C 13 54.6 . . 1 . . . . . . . . 4573 1 337 . 1 1 77 77 ALA N N 15 119.2 . . 1 . . . . . . . . 4573 1 338 . 1 1 78 78 GLU H H 1 7.97 . . 1 . . . . . . . . 4573 1 339 . 1 1 78 78 GLU C C 13 178.2 . . 1 . . . . . . . . 4573 1 340 . 1 1 78 78 GLU CA C 13 58.0 . . 1 . . . . . . . . 4573 1 341 . 1 1 78 78 GLU CB C 13 29.0 . . 1 . . . . . . . . 4573 1 342 . 1 1 78 78 GLU N N 15 120.7 . . 1 . . . . . . . . 4573 1 343 . 1 1 79 79 ARG H H 1 7.66 . . 1 . . . . . . . . 4573 1 344 . 1 1 79 79 ARG C C 13 179.3 . . 1 . . . . . . . . 4573 1 345 . 1 1 79 79 ARG CA C 13 58.1 . . 1 . . . . . . . . 4573 1 346 . 1 1 79 79 ARG CB C 13 29.1 . . 1 . . . . . . . . 4573 1 347 . 1 1 79 79 ARG N N 15 117.7 . . 1 . . . . . . . . 4573 1 348 . 1 1 80 80 ILE CA C 13 59.2 . . 1 . . . . . . . . 4573 1 349 . 1 1 80 80 ILE CB C 13 41.7 . . 1 . . . . . . . . 4573 1 350 . 1 1 81 81 ALA H H 1 8.67 . . 1 . . . . . . . . 4573 1 351 . 1 1 81 81 ALA C C 13 175.6 . . 1 . . . . . . . . 4573 1 352 . 1 1 81 81 ALA CA C 13 54.4 . . 1 . . . . . . . . 4573 1 353 . 1 1 81 81 ALA N N 15 122.4 . . 1 . . . . . . . . 4573 1 354 . 1 1 82 82 ASN H H 1 8.29 . . 1 . . . . . . . . 4573 1 355 . 1 1 82 82 ASN C C 13 178.2 . . 1 . . . . . . . . 4573 1 356 . 1 1 82 82 ASN CA C 13 55.3 . . 1 . . . . . . . . 4573 1 357 . 1 1 82 82 ASN CB C 13 37.9 . . 1 . . . . . . . . 4573 1 358 . 1 1 82 82 ASN N N 15 114.0 . . 1 . . . . . . . . 4573 1 359 . 1 1 83 83 ARG H H 1 7.98 . . 1 . . . . . . . . 4573 1 360 . 1 1 83 83 ARG C C 13 178.2 . . 1 . . . . . . . . 4573 1 361 . 1 1 83 83 ARG CA C 13 57.0 . . 1 . . . . . . . . 4573 1 362 . 1 1 83 83 ARG CB C 13 29.5 . . 1 . . . . . . . . 4573 1 363 . 1 1 83 83 ARG N N 15 121.4 . . 1 . . . . . . . . 4573 1 364 . 1 1 84 84 ILE H H 1 8.06 . . 1 . . . . . . . . 4573 1 365 . 1 1 84 84 ILE C C 13 177.4 . . 1 . . . . . . . . 4573 1 366 . 1 1 84 84 ILE CA C 13 64.3 . . 1 . . . . . . . . 4573 1 367 . 1 1 84 84 ILE N N 15 118.7 . . 1 . . . . . . . . 4573 1 368 . 1 1 85 85 ASN H H 1 8.26 . . 1 . . . . . . . . 4573 1 369 . 1 1 85 85 ASN C C 13 177.2 . . 1 . . . . . . . . 4573 1 370 . 1 1 85 85 ASN CA C 13 54.3 . . 1 . . . . . . . . 4573 1 371 . 1 1 85 85 ASN CB C 13 35.5 . . 1 . . . . . . . . 4573 1 372 . 1 1 85 85 ASN N N 15 117.3 . . 1 . . . . . . . . 4573 1 373 . 1 1 86 86 SER H H 1 7.75 . . 1 . . . . . . . . 4573 1 374 . 1 1 86 86 SER C C 13 177.4 . . 1 . . . . . . . . 4573 1 375 . 1 1 86 86 SER CA C 13 60.1 . . 1 . . . . . . . . 4573 1 376 . 1 1 86 86 SER CB C 13 62.4 . . 1 . . . . . . . . 4573 1 377 . 1 1 86 86 SER N N 15 111.1 . . 1 . . . . . . . . 4573 1 378 . 1 1 87 87 GLN H H 1 7.43 . . 1 . . . . . . . . 4573 1 379 . 1 1 87 87 GLN C C 13 175.5 . . 1 . . . . . . . . 4573 1 380 . 1 1 87 87 GLN CA C 13 55.6 . . 1 . . . . . . . . 4573 1 381 . 1 1 87 87 GLN CB C 13 29.7 . . 1 . . . . . . . . 4573 1 382 . 1 1 87 87 GLN N N 15 119.3 . . 1 . . . . . . . . 4573 1 383 . 1 1 88 88 TYR H H 1 7.60 . . 1 . . . . . . . . 4573 1 384 . 1 1 88 88 TYR C C 13 176.0 . . 1 . . . . . . . . 4573 1 385 . 1 1 88 88 TYR CA C 13 55.6 . . 1 . . . . . . . . 4573 1 386 . 1 1 88 88 TYR CB C 13 37.8 . . 1 . . . . . . . . 4573 1 387 . 1 1 88 88 TYR N N 15 118.8 . . 1 . . . . . . . . 4573 1 388 . 1 1 89 89 ASN H H 1 8.37 . . 1 . . . . . . . . 4573 1 389 . 1 1 89 89 ASN C C 13 174.9 . . 1 . . . . . . . . 4573 1 390 . 1 1 89 89 ASN CA C 13 54.7 . . 1 . . . . . . . . 4573 1 391 . 1 1 89 89 ASN CB C 13 37.0 . . 1 . . . . . . . . 4573 1 392 . 1 1 89 89 ASN N N 15 122.1 . . 1 . . . . . . . . 4573 1 393 . 1 1 90 90 ARG H H 1 8.16 . . 1 . . . . . . . . 4573 1 394 . 1 1 90 90 ARG C C 13 176.7 . . 1 . . . . . . . . 4573 1 395 . 1 1 90 90 ARG CA C 13 56.0 . . 1 . . . . . . . . 4573 1 396 . 1 1 90 90 ARG CB C 13 29.4 . . 1 . . . . . . . . 4573 1 397 . 1 1 90 90 ARG N N 15 115.6 . . 1 . . . . . . . . 4573 1 398 . 1 1 91 91 VAL H H 1 7.54 . . 1 . . . . . . . . 4573 1 399 . 1 1 91 91 VAL C C 13 176.7 . . 1 . . . . . . . . 4573 1 400 . 1 1 91 91 VAL CA C 13 62.3 . . 1 . . . . . . . . 4573 1 401 . 1 1 91 91 VAL CB C 13 30.1 . . 1 . . . . . . . . 4573 1 402 . 1 1 91 91 VAL N N 15 120.6 . . 1 . . . . . . . . 4573 1 403 . 1 1 92 92 MET H H 1 9.30 . . 1 . . . . . . . . 4573 1 404 . 1 1 92 92 MET C C 13 175.6 . . 1 . . . . . . . . 4573 1 405 . 1 1 92 92 MET CA C 13 56.2 . . 1 . . . . . . . . 4573 1 406 . 1 1 92 92 MET CB C 13 32.6 . . 1 . . . . . . . . 4573 1 407 . 1 1 92 92 MET N N 15 126.1 . . 1 . . . . . . . . 4573 1 408 . 1 1 93 93 GLU H H 1 7.37 . . 1 . . . . . . . . 4573 1 409 . 1 1 93 93 GLU C C 13 177.8 . . 1 . . . . . . . . 4573 1 410 . 1 1 93 93 GLU CA C 13 55.2 . . 1 . . . . . . . . 4573 1 411 . 1 1 93 93 GLU CB C 13 32.7 . . 1 . . . . . . . . 4573 1 412 . 1 1 93 93 GLU N N 15 119.0 . . 1 . . . . . . . . 4573 1 413 . 1 1 94 94 THR H H 1 8.41 . . 1 . . . . . . . . 4573 1 414 . 1 1 94 94 THR C C 13 172.9 . . 1 . . . . . . . . 4573 1 415 . 1 1 94 94 THR CA C 13 62.5 . . 1 . . . . . . . . 4573 1 416 . 1 1 94 94 THR CB C 13 68.7 . . 1 . . . . . . . . 4573 1 417 . 1 1 94 94 THR N N 15 124.2 . . 1 . . . . . . . . 4573 1 418 . 1 1 95 95 LYS H H 1 9.01 . . 1 . . . . . . . . 4573 1 419 . 1 1 95 95 LYS C C 13 172.0 . . 1 . . . . . . . . 4573 1 420 . 1 1 95 95 LYS CA C 13 53.4 . . 1 . . . . . . . . 4573 1 421 . 1 1 95 95 LYS CB C 13 33.4 . . 1 . . . . . . . . 4573 1 422 . 1 1 95 95 LYS N N 15 130.0 . . 1 . . . . . . . . 4573 1 423 . 1 1 96 96 VAL H H 1 9.12 . . 1 . . . . . . . . 4573 1 424 . 1 1 96 96 VAL C C 13 175.7 . . 1 . . . . . . . . 4573 1 425 . 1 1 96 96 VAL CA C 13 60.0 . . 1 . . . . . . . . 4573 1 426 . 1 1 96 96 VAL N N 15 125.4 . . 1 . . . . . . . . 4573 1 427 . 1 1 97 97 ARG H H 1 9.19 . . 1 . . . . . . . . 4573 1 428 . 1 1 97 97 ARG C C 13 172.7 . . 1 . . . . . . . . 4573 1 429 . 1 1 97 97 ARG CA C 13 53.3 . . 1 . . . . . . . . 4573 1 430 . 1 1 97 97 ARG N N 15 130.3 . . 1 . . . . . . . . 4573 1 431 . 1 1 98 98 ILE H H 1 8.63 . . 1 . . . . . . . . 4573 1 432 . 1 1 98 98 ILE C C 13 175.2 . . 1 . . . . . . . . 4573 1 433 . 1 1 98 98 ILE CA C 13 59.9 . . 1 . . . . . . . . 4573 1 434 . 1 1 98 98 ILE N N 15 126.1 . . 1 . . . . . . . . 4573 1 435 . 1 1 99 99 THR H H 1 9.37 . . 1 . . . . . . . . 4573 1 436 . 1 1 99 99 THR C C 13 173.5 . . 1 . . . . . . . . 4573 1 437 . 1 1 99 99 THR CA C 13 60.9 . . 1 . . . . . . . . 4573 1 438 . 1 1 99 99 THR CB C 13 69.9 . . 1 . . . . . . . . 4573 1 439 . 1 1 99 99 THR N N 15 121.5 . . 1 . . . . . . . . 4573 1 440 . 1 1 100 100 LYS H H 1 9.18 . . 1 . . . . . . . . 4573 1 441 . 1 1 100 100 LYS C C 13 174.2 . . 1 . . . . . . . . 4573 1 442 . 1 1 100 100 LYS CA C 13 54.6 . . 1 . . . . . . . . 4573 1 443 . 1 1 100 100 LYS CB C 13 33.0 . . 1 . . . . . . . . 4573 1 444 . 1 1 100 100 LYS N N 15 125.1 . . 1 . . . . . . . . 4573 1 445 . 1 1 101 101 GLU H H 1 8.82 . . 1 . . . . . . . . 4573 1 446 . 1 1 101 101 GLU C C 13 175.6 . . 1 . . . . . . . . 4573 1 447 . 1 1 101 101 GLU CA C 13 56.7 . . 1 . . . . . . . . 4573 1 448 . 1 1 101 101 GLU CB C 13 29.4 . . 1 . . . . . . . . 4573 1 449 . 1 1 101 101 GLU N N 15 124.2 . . 1 . . . . . . . . 4573 1 450 . 1 1 102 102 ASN H H 1 9.15 . . 1 . . . . . . . . 4573 1 451 . 1 1 102 102 ASN C C 13 176.0 . . 1 . . . . . . . . 4573 1 452 . 1 1 102 102 ASN CA C 13 50.9 . . 1 . . . . . . . . 4573 1 453 . 1 1 102 102 ASN N N 15 118.2 . . 1 . . . . . . . . 4573 1 454 . 1 1 104 104 PRO CA C 13 61.3 . . 1 . . . . . . . . 4573 1 455 . 1 1 105 105 ILE H H 1 7.72 . . 1 . . . . . . . . 4573 1 456 . 1 1 105 105 ILE C C 13 175.6 . . 1 . . . . . . . . 4573 1 457 . 1 1 105 105 ILE CA C 13 56.9 . . 1 . . . . . . . . 4573 1 458 . 1 1 105 105 ILE CB C 13 39.6 . . 1 . . . . . . . . 4573 1 459 . 1 1 105 105 ILE N N 15 123.0 . . 1 . . . . . . . . 4573 1 460 . 1 1 106 106 PRO CA C 13 60.0 . . 1 . . . . . . . . 4573 1 461 . 1 1 106 106 PRO CB C 13 29.3 . . 1 . . . . . . . . 4573 1 462 . 1 1 107 107 GLY H H 1 6.56 . . 1 . . . . . . . . 4573 1 463 . 1 1 107 107 GLY C C 13 175.0 . . 1 . . . . . . . . 4573 1 464 . 1 1 107 107 GLY CA C 13 43.6 . . 1 . . . . . . . . 4573 1 465 . 1 1 107 107 GLY N N 15 113.7 . . 1 . . . . . . . . 4573 1 466 . 1 1 108 108 HIS H H 1 8.62 . . 1 . . . . . . . . 4573 1 467 . 1 1 108 108 HIS C C 13 168.8 . . 1 . . . . . . . . 4573 1 468 . 1 1 108 108 HIS CA C 13 54.0 . . 1 . . . . . . . . 4573 1 469 . 1 1 108 108 HIS CB C 13 29.9 . . 1 . . . . . . . . 4573 1 470 . 1 1 108 108 HIS N N 15 119.6 . . 1 . . . . . . . . 4573 1 471 . 1 1 109 109 TYR H H 1 7.49 . . 1 . . . . . . . . 4573 1 472 . 1 1 109 109 TYR C C 13 173.1 . . 1 . . . . . . . . 4573 1 473 . 1 1 109 109 TYR CA C 13 54.0 . . 1 . . . . . . . . 4573 1 474 . 1 1 109 109 TYR CB C 13 36.9 . . 1 . . . . . . . . 4573 1 475 . 1 1 109 109 TYR N N 15 120.1 . . 1 . . . . . . . . 4573 1 476 . 1 1 110 110 ASP H H 1 8.38 . . 1 . . . . . . . . 4573 1 477 . 1 1 110 110 ASP C C 13 174.3 . . 1 . . . . . . . . 4573 1 478 . 1 1 110 110 ASP CA C 13 54.9 . . 1 . . . . . . . . 4573 1 479 . 1 1 110 110 ASP CB C 13 40.4 . . 1 . . . . . . . . 4573 1 480 . 1 1 110 110 ASP N N 15 118.8 . . 1 . . . . . . . . 4573 1 481 . 1 1 111 111 GLY H H 1 7.54 . . 1 . . . . . . . . 4573 1 482 . 1 1 111 111 GLY C C 13 177.2 . . 1 . . . . . . . . 4573 1 483 . 1 1 111 111 GLY CA C 13 45.1 . . 1 . . . . . . . . 4573 1 484 . 1 1 111 111 GLY N N 15 103.4 . . 1 . . . . . . . . 4573 1 485 . 1 1 112 112 VAL H H 1 7.90 . . 1 . . . . . . . . 4573 1 486 . 1 1 112 112 VAL C C 13 169.9 . . 1 . . . . . . . . 4573 1 487 . 1 1 112 112 VAL CA C 13 57.1 . . 1 . . . . . . . . 4573 1 488 . 1 1 112 112 VAL CB C 13 33.3 . . 1 . . . . . . . . 4573 1 489 . 1 1 112 112 VAL N N 15 114.0 . . 1 . . . . . . . . 4573 1 490 . 1 1 113 113 GLY H H 1 7.56 . . 1 . . . . . . . . 4573 1 491 . 1 1 113 113 GLY C C 13 172.4 . . 1 . . . . . . . . 4573 1 492 . 1 1 113 113 GLY CA C 13 45.6 . . 1 . . . . . . . . 4573 1 493 . 1 1 113 113 GLY N N 15 108.6 . . 1 . . . . . . . . 4573 1 494 . 1 1 116 116 ILE CA C 13 57.8 . . 1 . . . . . . . . 4573 1 495 . 1 1 116 116 ILE CB C 13 40.5 . . 1 . . . . . . . . 4573 1 496 . 1 1 117 117 VAL H H 1 7.07 . . 1 . . . . . . . . 4573 1 497 . 1 1 117 117 VAL C C 13 174.6 . . 1 . . . . . . . . 4573 1 498 . 1 1 117 117 VAL CA C 13 61.2 . . 1 . . . . . . . . 4573 1 499 . 1 1 117 117 VAL CB C 13 32.9 . . 1 . . . . . . . . 4573 1 500 . 1 1 117 117 VAL N N 15 119.3 . . 1 . . . . . . . . 4573 1 501 . 1 1 118 118 ARG H H 1 8.90 . . 1 . . . . . . . . 4573 1 502 . 1 1 118 118 ARG C C 13 176.3 . . 1 . . . . . . . . 4573 1 503 . 1 1 118 118 ARG CA C 13 51.1 . . 1 . . . . . . . . 4573 1 504 . 1 1 118 118 ARG CB C 13 29.6 . . 1 . . . . . . . . 4573 1 505 . 1 1 118 118 ARG N N 15 127.9 . . 1 . . . . . . . . 4573 1 506 . 1 1 119 119 GLU H H 1 9.28 . . 1 . . . . . . . . 4573 1 507 . 1 1 119 119 GLU C C 13 175.8 . . 1 . . . . . . . . 4573 1 508 . 1 1 119 119 GLU CA C 13 56.2 . . 1 . . . . . . . . 4573 1 509 . 1 1 119 119 GLU CB C 13 29.6 . . 1 . . . . . . . . 4573 1 510 . 1 1 119 119 GLU N N 15 128.6 . . 1 . . . . . . . . 4573 1 511 . 1 1 120 120 ASN H H 1 8.04 . . 1 . . . . . . . . 4573 1 512 . 1 1 120 120 ASN C C 13 174.9 . . 1 . . . . . . . . 4573 1 513 . 1 1 120 120 ASN CA C 13 51.1 . . 1 . . . . . . . . 4573 1 514 . 1 1 120 120 ASN CB C 13 36.6 . . 1 . . . . . . . . 4573 1 515 . 1 1 120 120 ASN N N 15 123.8 . . 1 . . . . . . . . 4573 1 516 . 1 1 121 121 LYS H H 1 7.69 . . 1 . . . . . . . . 4573 1 517 . 1 1 121 121 LYS C C 13 173.8 . . 1 . . . . . . . . 4573 1 518 . 1 1 121 121 LYS CA C 13 56.6 . . 1 . . . . . . . . 4573 1 519 . 1 1 121 121 LYS CB C 13 32.6 . . 1 . . . . . . . . 4573 1 520 . 1 1 121 121 LYS N N 15 128.6 . . 1 . . . . . . . . 4573 1 stop_ save_