data_5218 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5218 _Entry.Title ; Backbone 1H, 13C, 15N resonance assignments of the N-terminal 24 kDa fragment of the gyrase B subunit from E. coli ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-11-23 _Entry.Accession_date 2001-11-26 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _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 Massimo Bellanda . . . 5218 2 Evaristo Peggion . . . 5218 3 Gottfried Otting . . . 5218 4 Johan Weigelt . . . 5218 5 Elisabetta Perdona . . . 5218 6 Enrico Domenici . . . 5218 7 Carla Marchioro . . . 5218 8 Stefano Mammi . . . 5218 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5218 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 403 5218 '13C chemical shifts' 551 5218 '15N chemical shifts' 196 5218 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 . . 2002-08-22 2001-11-23 original author . 5218 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5218 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22012546 _Citation.DOI . _Citation.PubMed_ID 12018484 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: backbone 1H, 13C, 15N resonance assignments of the N-terminal 24 kDa fragment of the gyrase B subunit from E. coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 4 _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 369 _Citation.Page_last 370 _Citation.Year 2002 _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 Massimo Bellanda . . . 5218 1 2 Evaristo Peggion . . . 5218 1 3 Gottfried Otting . . . 5218 1 4 Johan Weigelt . . . 5218 1 5 Elisabetta Perdona . . . 5218 1 6 Enrico Domenici . . . 5218 1 7 Carla Marchioro . . . 5218 1 8 Stefano Mammi . . . 5218 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5218 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; Wishart D.S., Bigam C.G., Yao J., Abildgaard F., Dyson H.J., Oldfield E., Markley J.L., Sykes B.D., "1H, 13C and 15N Chemical Shift Referencing in Biomolecular NMR," J. Biomol. NMR, 6, 135-40 (1995). ; _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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. . 5218 2 2 'C G' Bigam C. G. . 5218 2 3 J Yao J. . . 5218 2 4 F Abildgaard F. . . 5218 2 5 'H J' Dyson H. J. . 5218 2 6 E Oldfield E. . . 5218 2 7 'J L' Markley J. L. . 5218 2 8 'B D' Sykes B. D. . 5218 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_GyraseB_p24 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_GyraseB_p24 _Assembly.Entry_ID 5218 _Assembly.ID 1 _Assembly.Name '24 kDa N-terminal fragment of Gyrase B' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 5.99.1.3 _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 5218 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 'GyraseB p24' 1 $GyrB . . . native . . . . . 5218 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '24 kDa N-terminal fragment of Gyrase B' system 5218 1 'GyraseB p24' abbreviation 5218 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ATP-dependent breakage, passage and rejoining of double-stranded DNA' 5218 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GyrB _Entity.Sf_category entity _Entity.Sf_framecode GyrB _Entity.Entry_ID 5218 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '24 kDa N-terminal fragment of DNA Gyrase' _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 ; MSNSYDSSSIKVLKGLDAVR KRPGMYIGDTDDGTGLHHMV FEVVDNAIDEALAGHCKEII VTIHADNSVSVQDDGRGIPT GIHPEEGVSAAEVIMTVLHA GGKFDDNSYKVSGGLHGVGV SVVNALSQKLELVIQREGKI HRQIYEHGVPQAPLAVTGET EKTGTMVRFWPSLETFTNVT EFEYEILAKRLRELSFLNSG VSIRLRDKRDGKEDHFHYEG ; _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 220 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _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 PDB 1AJ6 . "Novobiocin-resistant Mutant (r136h) Of The N-terminal 24 Kda Fragment Of Dna Gyrase B Complexed With Novobiocin At 2.3 Angstrom" . . . . . 99.55 219 99.54 99.54 1.82e-156 . . . . 5218 1 2 no PDB 1EI1 . "Dimerization Of E. Coli Dna Gyrase B Provides A Structural Mechanism For Activating The Atpase Catalytic Center" . . . . . 99.55 391 99.09 99.54 1.88e-154 . . . . 5218 1 3 no PDB 1KZN . "Crystal Structure Of E. Coli 24kda Domain In Complex With Clorobiocin" . . . . . 93.18 205 100.00 100.00 3.98e-147 . . . . 5218 1 4 no PDB 3G7E . "Crystal Structure Of E. Coli Gyrase B Co-complexed With Prop-2-yn-1-yl {[5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1" . . . . . 92.27 203 100.00 100.00 2.47e-145 . . . . 5218 1 5 no PDB 4DUH . "Crystal Structure Of 24 Kda Domain Of E. Coli Dna Gyrase B In Complex With Small Molecule Inhibitor" . . . . . 100.00 220 100.00 100.00 1.70e-158 . . . . 5218 1 6 no PDB 4HYP . "Pyrrolopyrimidine Inhibitors Of Dna Gyrase B And Topoisomerase Iv, Part I: Structure Guided Discovery And Optimization Of Dual " . . . . . 93.64 215 100.00 100.00 2.67e-147 . . . . 5218 1 7 no PDB 4KFG . "The Dna Gyrase B Atp Binding Domain Of Escherichia Coli In Complex With A Small Molecule Inhibitor" . . . . . 93.64 215 100.00 100.00 2.67e-147 . . . . 5218 1 8 no PDB 4PRV . "E. Coli Gyrb 43-kda N-terminal Fragment In Complex With Adp" . . . . . 99.55 398 100.00 100.00 3.98e-156 . . . . 5218 1 9 no PDB 4PRX . "E. Coli Gyrb 43-kda N-terminal Fragment In Complex With Adp+pi" . . . . . 99.55 398 100.00 100.00 3.98e-156 . . . . 5218 1 10 no PDB 4PU9 . "E. Coli Gyrb 43-kda N-terminal Fragment In Complex With Adp-bef3" . . . . . 99.55 398 100.00 100.00 3.98e-156 . . . . 5218 1 11 no DBJ BAA20341 . "DNA gyrase subunit B [Escherichia coli]" . . . . . 100.00 804 100.00 100.00 1.77e-152 . . . . 5218 1 12 no DBJ BAB38057 . "DNA gyrase subunit B GyrB [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 804 100.00 100.00 1.89e-152 . . . . 5218 1 13 no DBJ BAC06612 . "gyrase B, partial [Escherichia coli DSM 30083 = JCM 1649 = ATCC 11775]" . . . . . 52.27 390 99.13 100.00 1.66e-73 . . . . 5218 1 14 no DBJ BAC06613 . "gyrase B [Escherichia coli]" . . . . . 52.27 390 100.00 100.00 5.09e-74 . . . . 5218 1 15 no DBJ BAC06614 . "gyrase B [Escherichia coli]" . . . . . 52.27 390 100.00 100.00 4.82e-74 . . . . 5218 1 16 no EMBL CAA27871 . "unnamed protein product [Escherichia coli K-12]" . . . . . 100.00 804 100.00 100.00 1.89e-152 . . . . 5218 1 17 no EMBL CAP78158 . "DNA gyrase subunit B [Escherichia coli LF82]" . . . . . 100.00 804 100.00 100.00 1.89e-152 . . . . 5218 1 18 no EMBL CAQ34043 . "DNA gyrase, subunit B, subunit of DNA gyrase [Escherichia coli BL21(DE3)]" . . . . . 100.00 804 100.00 100.00 1.89e-152 . . . . 5218 1 19 no EMBL CAQ91428 . "DNA gyrase, subunit B [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 804 99.55 100.00 6.51e-152 . . . . 5218 1 20 no EMBL CAR00672 . "DNA gyrase, subunit B [Escherichia coli IAI1]" . . . . . 100.00 804 100.00 100.00 1.89e-152 . . . . 5218 1 21 no GB AAA62050 . "DNA gyrase, subunit B [Escherichia coli]" . . . . . 100.00 804 100.00 100.00 1.77e-152 . . . . 5218 1 22 no GB AAG58896 . "DNA gyrase subunit B, type II topoisomerase, ATPase activity [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 804 100.00 100.00 1.60e-152 . . . . 5218 1 23 no GB AAN45208 . "DNA gyrase subunit B, type II topoisomerase [Shigella flexneri 2a str. 301]" . . . . . 100.00 804 100.00 100.00 1.89e-152 . . . . 5218 1 24 no GB AAN83054 . "DNA gyrase subunit B [Escherichia coli CFT073]" . . . . . 100.00 805 99.55 100.00 5.63e-152 . . . . 5218 1 25 no GB AAP18989 . "DNA gyrase subunit B, type II topoisomerase [Shigella flexneri 2a str. 2457T]" . . . . . 100.00 804 100.00 100.00 1.89e-152 . . . . 5218 1 26 no PIR D86054 . "hypothetical protein gyrB [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 100.00 804 100.00 100.00 1.60e-152 . . . . 5218 1 27 no REF NP_290332 . "DNA gyrase subunit B [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 804 100.00 100.00 1.60e-152 . . . . 5218 1 28 no REF NP_312661 . "DNA gyrase subunit B [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 804 100.00 100.00 1.89e-152 . . . . 5218 1 29 no REF NP_709501 . "DNA gyrase subunit B [Shigella flexneri 2a str. 301]" . . . . . 100.00 804 100.00 100.00 1.89e-152 . . . . 5218 1 30 no REF NP_756480 . "DNA gyrase subunit B [Escherichia coli CFT073]" . . . . . 100.00 805 99.55 100.00 5.63e-152 . . . . 5218 1 31 no REF NP_839178 . "DNA gyrase subunit B [Shigella flexneri 2a str. 2457T]" . . . . . 100.00 804 100.00 100.00 1.89e-152 . . . . 5218 1 32 no SP P0AES6 . "RecName: Full=DNA gyrase subunit B [Escherichia coli K-12]" . . . . . 100.00 804 100.00 100.00 1.89e-152 . . . . 5218 1 33 no SP P0AES7 . "RecName: Full=DNA gyrase subunit B [Escherichia coli O157:H7]" . . . . . 100.00 804 100.00 100.00 1.89e-152 . . . . 5218 1 34 no SP P0AES8 . "RecName: Full=DNA gyrase subunit B [Shigella flexneri]" . . . . . 100.00 804 100.00 100.00 1.89e-152 . . . . 5218 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '24 kDa N-terminal fragment of DNA Gyrase' common 5218 1 'GyrB p24' abbreviation 5218 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 . 5218 1 2 . SER . 5218 1 3 . ASN . 5218 1 4 . SER . 5218 1 5 . TYR . 5218 1 6 . ASP . 5218 1 7 . SER . 5218 1 8 . SER . 5218 1 9 . SER . 5218 1 10 . ILE . 5218 1 11 . LYS . 5218 1 12 . VAL . 5218 1 13 . LEU . 5218 1 14 . LYS . 5218 1 15 . GLY . 5218 1 16 . LEU . 5218 1 17 . ASP . 5218 1 18 . ALA . 5218 1 19 . VAL . 5218 1 20 . ARG . 5218 1 21 . LYS . 5218 1 22 . ARG . 5218 1 23 . PRO . 5218 1 24 . GLY . 5218 1 25 . MET . 5218 1 26 . TYR . 5218 1 27 . ILE . 5218 1 28 . GLY . 5218 1 29 . ASP . 5218 1 30 . THR . 5218 1 31 . ASP . 5218 1 32 . ASP . 5218 1 33 . GLY . 5218 1 34 . THR . 5218 1 35 . GLY . 5218 1 36 . LEU . 5218 1 37 . HIS . 5218 1 38 . HIS . 5218 1 39 . MET . 5218 1 40 . VAL . 5218 1 41 . PHE . 5218 1 42 . GLU . 5218 1 43 . VAL . 5218 1 44 . VAL . 5218 1 45 . ASP . 5218 1 46 . ASN . 5218 1 47 . ALA . 5218 1 48 . ILE . 5218 1 49 . ASP . 5218 1 50 . GLU . 5218 1 51 . ALA . 5218 1 52 . LEU . 5218 1 53 . ALA . 5218 1 54 . GLY . 5218 1 55 . HIS . 5218 1 56 . CYS . 5218 1 57 . LYS . 5218 1 58 . GLU . 5218 1 59 . ILE . 5218 1 60 . ILE . 5218 1 61 . VAL . 5218 1 62 . THR . 5218 1 63 . ILE . 5218 1 64 . HIS . 5218 1 65 . ALA . 5218 1 66 . ASP . 5218 1 67 . ASN . 5218 1 68 . SER . 5218 1 69 . VAL . 5218 1 70 . SER . 5218 1 71 . VAL . 5218 1 72 . GLN . 5218 1 73 . ASP . 5218 1 74 . ASP . 5218 1 75 . GLY . 5218 1 76 . ARG . 5218 1 77 . GLY . 5218 1 78 . ILE . 5218 1 79 . PRO . 5218 1 80 . THR . 5218 1 81 . GLY . 5218 1 82 . ILE . 5218 1 83 . HIS . 5218 1 84 . PRO . 5218 1 85 . GLU . 5218 1 86 . GLU . 5218 1 87 . GLY . 5218 1 88 . VAL . 5218 1 89 . SER . 5218 1 90 . ALA . 5218 1 91 . ALA . 5218 1 92 . GLU . 5218 1 93 . VAL . 5218 1 94 . ILE . 5218 1 95 . MET . 5218 1 96 . THR . 5218 1 97 . VAL . 5218 1 98 . LEU . 5218 1 99 . HIS . 5218 1 100 . ALA . 5218 1 101 . GLY . 5218 1 102 . GLY . 5218 1 103 . LYS . 5218 1 104 . PHE . 5218 1 105 . ASP . 5218 1 106 . ASP . 5218 1 107 . ASN . 5218 1 108 . SER . 5218 1 109 . TYR . 5218 1 110 . LYS . 5218 1 111 . VAL . 5218 1 112 . SER . 5218 1 113 . GLY . 5218 1 114 . GLY . 5218 1 115 . LEU . 5218 1 116 . HIS . 5218 1 117 . GLY . 5218 1 118 . VAL . 5218 1 119 . GLY . 5218 1 120 . VAL . 5218 1 121 . SER . 5218 1 122 . VAL . 5218 1 123 . VAL . 5218 1 124 . ASN . 5218 1 125 . ALA . 5218 1 126 . LEU . 5218 1 127 . SER . 5218 1 128 . GLN . 5218 1 129 . LYS . 5218 1 130 . LEU . 5218 1 131 . GLU . 5218 1 132 . LEU . 5218 1 133 . VAL . 5218 1 134 . ILE . 5218 1 135 . GLN . 5218 1 136 . ARG . 5218 1 137 . GLU . 5218 1 138 . GLY . 5218 1 139 . LYS . 5218 1 140 . ILE . 5218 1 141 . HIS . 5218 1 142 . ARG . 5218 1 143 . GLN . 5218 1 144 . ILE . 5218 1 145 . TYR . 5218 1 146 . GLU . 5218 1 147 . HIS . 5218 1 148 . GLY . 5218 1 149 . VAL . 5218 1 150 . PRO . 5218 1 151 . GLN . 5218 1 152 . ALA . 5218 1 153 . PRO . 5218 1 154 . LEU . 5218 1 155 . ALA . 5218 1 156 . VAL . 5218 1 157 . THR . 5218 1 158 . GLY . 5218 1 159 . GLU . 5218 1 160 . THR . 5218 1 161 . GLU . 5218 1 162 . LYS . 5218 1 163 . THR . 5218 1 164 . GLY . 5218 1 165 . THR . 5218 1 166 . MET . 5218 1 167 . VAL . 5218 1 168 . ARG . 5218 1 169 . PHE . 5218 1 170 . TRP . 5218 1 171 . PRO . 5218 1 172 . SER . 5218 1 173 . LEU . 5218 1 174 . GLU . 5218 1 175 . THR . 5218 1 176 . PHE . 5218 1 177 . THR . 5218 1 178 . ASN . 5218 1 179 . VAL . 5218 1 180 . THR . 5218 1 181 . GLU . 5218 1 182 . PHE . 5218 1 183 . GLU . 5218 1 184 . TYR . 5218 1 185 . GLU . 5218 1 186 . ILE . 5218 1 187 . LEU . 5218 1 188 . ALA . 5218 1 189 . LYS . 5218 1 190 . ARG . 5218 1 191 . LEU . 5218 1 192 . ARG . 5218 1 193 . GLU . 5218 1 194 . LEU . 5218 1 195 . SER . 5218 1 196 . PHE . 5218 1 197 . LEU . 5218 1 198 . ASN . 5218 1 199 . SER . 5218 1 200 . GLY . 5218 1 201 . VAL . 5218 1 202 . SER . 5218 1 203 . ILE . 5218 1 204 . ARG . 5218 1 205 . LEU . 5218 1 206 . ARG . 5218 1 207 . ASP . 5218 1 208 . LYS . 5218 1 209 . ARG . 5218 1 210 . ASP . 5218 1 211 . GLY . 5218 1 212 . LYS . 5218 1 213 . GLU . 5218 1 214 . ASP . 5218 1 215 . HIS . 5218 1 216 . PHE . 5218 1 217 . HIS . 5218 1 218 . TYR . 5218 1 219 . GLU . 5218 1 220 . GLY . 5218 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 5218 1 . SER 2 2 5218 1 . ASN 3 3 5218 1 . SER 4 4 5218 1 . TYR 5 5 5218 1 . ASP 6 6 5218 1 . SER 7 7 5218 1 . SER 8 8 5218 1 . SER 9 9 5218 1 . ILE 10 10 5218 1 . LYS 11 11 5218 1 . VAL 12 12 5218 1 . LEU 13 13 5218 1 . LYS 14 14 5218 1 . GLY 15 15 5218 1 . LEU 16 16 5218 1 . ASP 17 17 5218 1 . ALA 18 18 5218 1 . VAL 19 19 5218 1 . ARG 20 20 5218 1 . LYS 21 21 5218 1 . ARG 22 22 5218 1 . PRO 23 23 5218 1 . GLY 24 24 5218 1 . MET 25 25 5218 1 . TYR 26 26 5218 1 . ILE 27 27 5218 1 . GLY 28 28 5218 1 . ASP 29 29 5218 1 . THR 30 30 5218 1 . ASP 31 31 5218 1 . ASP 32 32 5218 1 . GLY 33 33 5218 1 . THR 34 34 5218 1 . GLY 35 35 5218 1 . LEU 36 36 5218 1 . HIS 37 37 5218 1 . HIS 38 38 5218 1 . MET 39 39 5218 1 . VAL 40 40 5218 1 . PHE 41 41 5218 1 . GLU 42 42 5218 1 . VAL 43 43 5218 1 . VAL 44 44 5218 1 . ASP 45 45 5218 1 . ASN 46 46 5218 1 . ALA 47 47 5218 1 . ILE 48 48 5218 1 . ASP 49 49 5218 1 . GLU 50 50 5218 1 . ALA 51 51 5218 1 . LEU 52 52 5218 1 . ALA 53 53 5218 1 . GLY 54 54 5218 1 . HIS 55 55 5218 1 . CYS 56 56 5218 1 . LYS 57 57 5218 1 . GLU 58 58 5218 1 . ILE 59 59 5218 1 . ILE 60 60 5218 1 . VAL 61 61 5218 1 . THR 62 62 5218 1 . ILE 63 63 5218 1 . HIS 64 64 5218 1 . ALA 65 65 5218 1 . ASP 66 66 5218 1 . ASN 67 67 5218 1 . SER 68 68 5218 1 . VAL 69 69 5218 1 . SER 70 70 5218 1 . VAL 71 71 5218 1 . GLN 72 72 5218 1 . ASP 73 73 5218 1 . ASP 74 74 5218 1 . GLY 75 75 5218 1 . ARG 76 76 5218 1 . GLY 77 77 5218 1 . ILE 78 78 5218 1 . PRO 79 79 5218 1 . THR 80 80 5218 1 . GLY 81 81 5218 1 . ILE 82 82 5218 1 . HIS 83 83 5218 1 . PRO 84 84 5218 1 . GLU 85 85 5218 1 . GLU 86 86 5218 1 . GLY 87 87 5218 1 . VAL 88 88 5218 1 . SER 89 89 5218 1 . ALA 90 90 5218 1 . ALA 91 91 5218 1 . GLU 92 92 5218 1 . VAL 93 93 5218 1 . ILE 94 94 5218 1 . MET 95 95 5218 1 . THR 96 96 5218 1 . VAL 97 97 5218 1 . LEU 98 98 5218 1 . HIS 99 99 5218 1 . ALA 100 100 5218 1 . GLY 101 101 5218 1 . GLY 102 102 5218 1 . LYS 103 103 5218 1 . PHE 104 104 5218 1 . ASP 105 105 5218 1 . ASP 106 106 5218 1 . ASN 107 107 5218 1 . SER 108 108 5218 1 . TYR 109 109 5218 1 . LYS 110 110 5218 1 . VAL 111 111 5218 1 . SER 112 112 5218 1 . GLY 113 113 5218 1 . GLY 114 114 5218 1 . LEU 115 115 5218 1 . HIS 116 116 5218 1 . GLY 117 117 5218 1 . VAL 118 118 5218 1 . GLY 119 119 5218 1 . VAL 120 120 5218 1 . SER 121 121 5218 1 . VAL 122 122 5218 1 . VAL 123 123 5218 1 . ASN 124 124 5218 1 . ALA 125 125 5218 1 . LEU 126 126 5218 1 . SER 127 127 5218 1 . GLN 128 128 5218 1 . LYS 129 129 5218 1 . LEU 130 130 5218 1 . GLU 131 131 5218 1 . LEU 132 132 5218 1 . VAL 133 133 5218 1 . ILE 134 134 5218 1 . GLN 135 135 5218 1 . ARG 136 136 5218 1 . GLU 137 137 5218 1 . GLY 138 138 5218 1 . LYS 139 139 5218 1 . ILE 140 140 5218 1 . HIS 141 141 5218 1 . ARG 142 142 5218 1 . GLN 143 143 5218 1 . ILE 144 144 5218 1 . TYR 145 145 5218 1 . GLU 146 146 5218 1 . HIS 147 147 5218 1 . GLY 148 148 5218 1 . VAL 149 149 5218 1 . PRO 150 150 5218 1 . GLN 151 151 5218 1 . ALA 152 152 5218 1 . PRO 153 153 5218 1 . LEU 154 154 5218 1 . ALA 155 155 5218 1 . VAL 156 156 5218 1 . THR 157 157 5218 1 . GLY 158 158 5218 1 . GLU 159 159 5218 1 . THR 160 160 5218 1 . GLU 161 161 5218 1 . LYS 162 162 5218 1 . THR 163 163 5218 1 . GLY 164 164 5218 1 . THR 165 165 5218 1 . MET 166 166 5218 1 . VAL 167 167 5218 1 . ARG 168 168 5218 1 . PHE 169 169 5218 1 . TRP 170 170 5218 1 . PRO 171 171 5218 1 . SER 172 172 5218 1 . LEU 173 173 5218 1 . GLU 174 174 5218 1 . THR 175 175 5218 1 . PHE 176 176 5218 1 . THR 177 177 5218 1 . ASN 178 178 5218 1 . VAL 179 179 5218 1 . THR 180 180 5218 1 . GLU 181 181 5218 1 . PHE 182 182 5218 1 . GLU 183 183 5218 1 . TYR 184 184 5218 1 . GLU 185 185 5218 1 . ILE 186 186 5218 1 . LEU 187 187 5218 1 . ALA 188 188 5218 1 . LYS 189 189 5218 1 . ARG 190 190 5218 1 . LEU 191 191 5218 1 . ARG 192 192 5218 1 . GLU 193 193 5218 1 . LEU 194 194 5218 1 . SER 195 195 5218 1 . PHE 196 196 5218 1 . LEU 197 197 5218 1 . ASN 198 198 5218 1 . SER 199 199 5218 1 . GLY 200 200 5218 1 . VAL 201 201 5218 1 . SER 202 202 5218 1 . ILE 203 203 5218 1 . ARG 204 204 5218 1 . LEU 205 205 5218 1 . ARG 206 206 5218 1 . ASP 207 207 5218 1 . LYS 208 208 5218 1 . ARG 209 209 5218 1 . ASP 210 210 5218 1 . GLY 211 211 5218 1 . LYS 212 212 5218 1 . GLU 213 213 5218 1 . ASP 214 214 5218 1 . HIS 215 215 5218 1 . PHE 216 216 5218 1 . HIS 217 217 5218 1 . TYR 218 218 5218 1 . GLU 219 219 5218 1 . GLY 220 220 5218 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 5218 _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 $GyrB . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5218 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 5218 _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 $GyrB . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli XA90 . . . . . . . . . . . . plasmid . . pAM24 . . . . . . 5218 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5218 _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 '24 kDa N-terminal fragment of DNA Gyrase' '[U-13C; U-15N]' . . 1 $GyrB . . 1.0 . . mM . . . . 5218 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5218 1 3 KCl . . . . . . . 40 . . mM . . . . 5218 1 4 NaCl . . . . . . . 40 . . mM . . . . 5218 1 5 EDTA . . . . . . . 1 . . mM . . . . 5218 1 6 DTT . . . . . . . 2 . . mM . . . . 5218 1 7 'sodium azide' . . . . . . . 0.02 . . '% w/v' . . . . 5218 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5218 _Sample.ID 2 _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 '24 kDa N-terminal fragment of DNA Gyrase' '[U-75% 2H; U-13C; U-15N]' . . 1 $GyrB . . 1.2 . . mM . . . . 5218 2 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 5218 2 3 KCl . . . . . . . 20 . . mM . . . . 5218 2 4 EDTA . . . . . . . 1 . . mM . . . . 5218 2 5 DTT . . . . . . . 2 . . mM . . . . 5218 2 6 'sodium azide' . . . . . . . 0.02 . . '% w/v' . . . . 5218 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5218 _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 7.2 0.1 n/a 5218 1 temperature 298 1 K 5218 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5218 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5218 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5218 _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_1 Bruker DRX . 600 . . . 5218 1 2 NMR_spectrometer_2 Varian UnityPlus . 800 . . . 5218 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 5218 _Experiment_list.ID 1 _Experiment_list.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 5218 _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 H 1 H2O protons . . . . ppm . internal direct 1.0 internal . . . . 'temperature, pH, salt concentration' . 2 $ref_1 5218 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5218 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5218 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_GyrB_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode GyrB_shift_1 _Assigned_chem_shift_list.Entry_ID 5218 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 $sample_1 . 5218 1 . . 2 $sample_2 . 5218 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 9 9 SER C C 13 174.6 0.2 . 1 . . . . . . . . 5218 1 2 . 1 1 10 10 ILE N N 15 121.9 0.1 . 1 . . . . . . . . 5218 1 3 . 1 1 10 10 ILE H H 1 7.93 0.02 . 1 . . . . . . . . 5218 1 4 . 1 1 10 10 ILE CA C 13 61.3 0.2 . 1 . . . . . . . . 5218 1 5 . 1 1 10 10 ILE HA H 1 4.10 0.02 . 1 . . . . . . . . 5218 1 6 . 1 1 10 10 ILE CB C 13 37.9 0.2 . 1 . . . . . . . . 5218 1 7 . 1 1 10 10 ILE C C 13 176.1 0.2 . 1 . . . . . . . . 5218 1 8 . 1 1 11 11 LYS N N 15 124.1 0.1 . 1 . . . . . . . . 5218 1 9 . 1 1 11 11 LYS H H 1 8.19 0.02 . 1 . . . . . . . . 5218 1 10 . 1 1 11 11 LYS CA C 13 56.3 0.2 . 1 . . . . . . . . 5218 1 11 . 1 1 11 11 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 5218 1 12 . 1 1 11 11 LYS CB C 13 32.4 0.2 . 1 . . . . . . . . 5218 1 13 . 1 1 11 11 LYS C C 13 176.6 0.2 . 1 . . . . . . . . 5218 1 14 . 1 1 12 12 VAL N N 15 121.1 0.1 . 1 . . . . . . . . 5218 1 15 . 1 1 12 12 VAL H H 1 8.02 0.02 . 1 . . . . . . . . 5218 1 16 . 1 1 12 12 VAL CA C 13 62.3 0.2 . 1 . . . . . . . . 5218 1 17 . 1 1 12 12 VAL HA H 1 4.06 0.02 . 1 . . . . . . . . 5218 1 18 . 1 1 12 12 VAL CB C 13 32.2 0.2 . 1 . . . . . . . . 5218 1 19 . 1 1 12 12 VAL C C 13 176.0 0.2 . 1 . . . . . . . . 5218 1 20 . 1 1 13 13 LEU N N 15 125.4 0.1 . 1 . . . . . . . . 5218 1 21 . 1 1 13 13 LEU H H 1 8.28 0.02 . 1 . . . . . . . . 5218 1 22 . 1 1 13 13 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 5218 1 23 . 1 1 13 13 LEU HA H 1 4.39 0.02 . 1 . . . . . . . . 5218 1 24 . 1 1 13 13 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 5218 1 25 . 1 1 13 13 LEU C C 13 177.1 0.2 . 1 . . . . . . . . 5218 1 26 . 1 1 14 14 LYS N N 15 121.3 0.1 . 1 . . . . . . . . 5218 1 27 . 1 1 14 14 LYS H H 1 8.44 0.02 . 1 . . . . . . . . 5218 1 28 . 1 1 14 14 LYS CA C 13 56.1 0.2 . 1 . . . . . . . . 5218 1 29 . 1 1 14 14 LYS HA H 1 4.38 0.02 . 1 . . . . . . . . 5218 1 30 . 1 1 14 14 LYS CB C 13 33.03 0.2 . 1 . . . . . . . . 5218 1 31 . 1 1 14 14 LYS C C 13 177.3 0.2 . 1 . . . . . . . . 5218 1 32 . 1 1 15 15 GLY N N 15 109.0 0.1 . 1 . . . . . . . . 5218 1 33 . 1 1 15 15 GLY H H 1 8.34 0.02 . 1 . . . . . . . . 5218 1 34 . 1 1 15 15 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 5218 1 35 . 1 1 15 15 GLY HA2 H 1 3.95 0.02 . 2 . . . . . . . . 5218 1 36 . 1 1 15 15 GLY C C 13 175.1 0.2 . 1 . . . . . . . . 5218 1 37 . 1 1 16 16 LEU N N 15 120.3 0.1 . 1 . . . . . . . . 5218 1 38 . 1 1 16 16 LEU H H 1 8.34 0.02 . 1 . . . . . . . . 5218 1 39 . 1 1 16 16 LEU CA C 13 56.3 0.2 . 1 . . . . . . . . 5218 1 40 . 1 1 16 16 LEU HA H 1 3.98 0.02 . 1 . . . . . . . . 5218 1 41 . 1 1 16 16 LEU HB2 H 1 1.73 0.02 . 2 . . . . . . . . 5218 1 42 . 1 1 16 16 LEU C C 13 178.3 0.2 . 1 . . . . . . . . 5218 1 43 . 1 1 17 17 ASP N N 15 118.6 0.1 . 1 . . . . . . . . 5218 1 44 . 1 1 17 17 ASP H H 1 8.17 0.02 . 1 . . . . . . . . 5218 1 45 . 1 1 17 17 ASP CA C 13 57.0 0.2 . 1 . . . . . . . . 5218 1 46 . 1 1 17 17 ASP HA H 1 4.23 0.02 . 1 . . . . . . . . 5218 1 47 . 1 1 17 17 ASP CB C 13 40.4 0.2 . 1 . . . . . . . . 5218 1 48 . 1 1 17 17 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . 5218 1 49 . 1 1 17 17 ASP HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5218 1 50 . 1 1 17 17 ASP C C 13 177.9 0.2 . 1 . . . . . . . . 5218 1 51 . 1 1 18 18 ALA N N 15 120.2 0.1 . 1 . . . . . . . . 5218 1 52 . 1 1 18 18 ALA H H 1 7.68 0.02 . 1 . . . . . . . . 5218 1 53 . 1 1 18 18 ALA CA C 13 54.6 0.2 . 1 . . . . . . . . 5218 1 54 . 1 1 18 18 ALA HA H 1 3.95 0.02 . 1 . . . . . . . . 5218 1 55 . 1 1 18 18 ALA CB C 13 17.8 0.2 . 1 . . . . . . . . 5218 1 56 . 1 1 18 18 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 5218 1 57 . 1 1 18 18 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 5218 1 58 . 1 1 18 18 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 5218 1 59 . 1 1 18 18 ALA C C 13 179.7 0.2 . 1 . . . . . . . . 5218 1 60 . 1 1 19 19 VAL N N 15 116.6 0.1 . 1 . . . . . . . . 5218 1 61 . 1 1 19 19 VAL H H 1 6.95 0.02 . 1 . . . . . . . . 5218 1 62 . 1 1 19 19 VAL CA C 13 63.6 0.2 . 1 . . . . . . . . 5218 1 63 . 1 1 19 19 VAL HA H 1 3.30 0.02 . 1 . . . . . . . . 5218 1 64 . 1 1 19 19 VAL HB H 1 1.79 0.02 . 1 . . . . . . . . 5218 1 65 . 1 1 19 19 VAL HG21 H 1 0.12 0.02 . 1 . . . . . . . . 5218 1 66 . 1 1 19 19 VAL HG22 H 1 0.12 0.02 . 1 . . . . . . . . 5218 1 67 . 1 1 19 19 VAL HG23 H 1 0.12 0.02 . 1 . . . . . . . . 5218 1 68 . 1 1 19 19 VAL C C 13 176.5 0.2 . 1 . . . . . . . . 5218 1 69 . 1 1 20 20 ARG N N 15 113.5 0.1 . 1 . . . . . . . . 5218 1 70 . 1 1 20 20 ARG H H 1 7.22 0.02 . 1 . . . . . . . . 5218 1 71 . 1 1 20 20 ARG CA C 13 58.7 0.2 . 1 . . . . . . . . 5218 1 72 . 1 1 20 20 ARG C C 13 178.4 0.2 . 1 . . . . . . . . 5218 1 73 . 1 1 21 21 LYS N N 15 115.8 0.1 . 1 . . . . . . . . 5218 1 74 . 1 1 21 21 LYS H H 1 7.58 0.02 . 1 . . . . . . . . 5218 1 75 . 1 1 21 21 LYS CA C 13 57.2 0.2 . 1 . . . . . . . . 5218 1 76 . 1 1 21 21 LYS HA H 1 4.16 0.02 . 1 . . . . . . . . 5218 1 77 . 1 1 21 21 LYS CB C 13 32.5 0.2 . 1 . . . . . . . . 5218 1 78 . 1 1 21 21 LYS C C 13 177.3 0.2 . 1 . . . . . . . . 5218 1 79 . 1 1 22 22 ARG N N 15 117.1 0.1 . 1 . . . . . . . . 5218 1 80 . 1 1 22 22 ARG H H 1 7.20 0.02 . 1 . . . . . . . . 5218 1 81 . 1 1 22 22 ARG CA C 13 53.2 0.2 . 1 . . . . . . . . 5218 1 82 . 1 1 22 22 ARG HA H 1 4.81 0.02 . 1 . . . . . . . . 5218 1 83 . 1 1 22 22 ARG CB C 13 30.5 0.2 . 1 . . . . . . . . 5218 1 84 . 1 1 22 22 ARG C C 13 172.5 0.2 . 1 . . . . . . . . 5218 1 85 . 1 1 23 23 PRO CA C 13 65.6 0.2 . 1 . . . . . . . . 5218 1 86 . 1 1 23 23 PRO C C 13 179.8 0.2 . 1 . . . . . . . . 5218 1 87 . 1 1 24 24 GLY N N 15 106.1 0.1 . 1 . . . . . . . . 5218 1 88 . 1 1 24 24 GLY H H 1 8.80 0.02 . 1 . . . . . . . . 5218 1 89 . 1 1 24 24 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 5218 1 90 . 1 1 24 24 GLY HA2 H 1 3.70 0.02 . 2 . . . . . . . . 5218 1 91 . 1 1 24 24 GLY HA3 H 1 4.35 0.02 . 2 . . . . . . . . 5218 1 92 . 1 1 24 24 GLY C C 13 176.5 0.2 . 1 . . . . . . . . 5218 1 93 . 1 1 25 25 MET N N 15 117.7 0.1 . 1 . . . . . . . . 5218 1 94 . 1 1 25 25 MET H H 1 7.45 0.02 . 1 . . . . . . . . 5218 1 95 . 1 1 25 25 MET CA C 13 56.5 0.2 . 1 . . . . . . . . 5218 1 96 . 1 1 25 25 MET HA H 1 4.13 0.02 . 1 . . . . . . . . 5218 1 97 . 1 1 25 25 MET CB C 13 32.0 0.2 . 1 . . . . . . . . 5218 1 98 . 1 1 25 25 MET C C 13 175.3 0.2 . 1 . . . . . . . . 5218 1 99 . 1 1 26 26 TYR N N 15 115.1 0.1 . 1 . . . . . . . . 5218 1 100 . 1 1 26 26 TYR H H 1 7.66 0.02 . 1 . . . . . . . . 5218 1 101 . 1 1 26 26 TYR CA C 13 59.7 0.2 . 1 . . . . . . . . 5218 1 102 . 1 1 26 26 TYR HA H 1 4.41 0.02 . 1 . . . . . . . . 5218 1 103 . 1 1 26 26 TYR C C 13 175.4 0.2 . 1 . . . . . . . . 5218 1 104 . 1 1 27 27 ILE N N 15 114.7 0.1 . 1 . . . . . . . . 5218 1 105 . 1 1 27 27 ILE H H 1 8.13 0.02 . 1 . . . . . . . . 5218 1 106 . 1 1 27 27 ILE CA C 13 56.7 0.2 . 1 . . . . . . . . 5218 1 107 . 1 1 27 27 ILE C C 13 174.3 0.2 . 1 . . . . . . . . 5218 1 108 . 1 1 28 28 GLY N N 15 109.6 0.1 . 1 . . . . . . . . 5218 1 109 . 1 1 28 28 GLY H H 1 7.24 0.02 . 1 . . . . . . . . 5218 1 110 . 1 1 28 28 GLY CA C 13 42.7 0.2 . 1 . . . . . . . . 5218 1 111 . 1 1 28 28 GLY HA2 H 1 3.58 0.02 . 2 . . . . . . . . 5218 1 112 . 1 1 28 28 GLY HA3 H 1 4.35 0.02 . 2 . . . . . . . . 5218 1 113 . 1 1 28 28 GLY C C 13 172.3 0.2 . 1 . . . . . . . . 5218 1 114 . 1 1 29 29 ASP N N 15 116.9 0.1 . 1 . . . . . . . . 5218 1 115 . 1 1 29 29 ASP H H 1 8.26 0.02 . 1 . . . . . . . . 5218 1 116 . 1 1 29 29 ASP CA C 13 56.2 0.2 . 1 . . . . . . . . 5218 1 117 . 1 1 29 29 ASP HA H 1 4.39 0.02 . 1 . . . . . . . . 5218 1 118 . 1 1 29 29 ASP CB C 13 41.8 0.2 . 1 . . . . . . . . 5218 1 119 . 1 1 29 29 ASP C C 13 179.5 0.2 . 1 . . . . . . . . 5218 1 120 . 1 1 30 30 THR N N 15 116.2 0.1 . 1 . . . . . . . . 5218 1 121 . 1 1 30 30 THR H H 1 8.44 0.02 . 1 . . . . . . . . 5218 1 122 . 1 1 30 30 THR CA C 13 63.1 0.2 . 1 . . . . . . . . 5218 1 123 . 1 1 30 30 THR HA H 1 4.38 0.02 . 1 . . . . . . . . 5218 1 124 . 1 1 30 30 THR CB C 13 68.3 0.2 . 1 . . . . . . . . 5218 1 125 . 1 1 30 30 THR C C 13 173.4 0.2 . 1 . . . . . . . . 5218 1 126 . 1 1 31 31 ASP N N 15 122.4 0.1 . 1 . . . . . . . . 5218 1 127 . 1 1 31 31 ASP H H 1 9.20 0.02 . 1 . . . . . . . . 5218 1 128 . 1 1 31 31 ASP CA C 13 53.6 0.2 . 1 . . . . . . . . 5218 1 129 . 1 1 31 31 ASP HA H 1 5.78 0.02 . 1 . . . . . . . . 5218 1 130 . 1 1 31 31 ASP CB C 13 44.6 0.2 . 1 . . . . . . . . 5218 1 131 . 1 1 31 31 ASP C C 13 176.3 0.2 . 1 . . . . . . . . 5218 1 132 . 1 1 32 32 ASP N N 15 116.8 0.1 . 1 . . . . . . . . 5218 1 133 . 1 1 32 32 ASP H H 1 7.94 0.02 . 1 . . . . . . . . 5218 1 134 . 1 1 32 32 ASP CA C 13 52.6 0.2 . 1 . . . . . . . . 5218 1 135 . 1 1 32 32 ASP HA H 1 4.83 0.02 . 1 . . . . . . . . 5218 1 136 . 1 1 32 32 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 5218 1 137 . 1 1 32 32 ASP C C 13 178.1 0.2 . 1 . . . . . . . . 5218 1 138 . 1 1 33 33 GLY N N 15 109.4 0.1 . 1 . . . . . . . . 5218 1 139 . 1 1 33 33 GLY H H 1 8.24 0.02 . 1 . . . . . . . . 5218 1 140 . 1 1 33 33 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 5218 1 141 . 1 1 33 33 GLY HA2 H 1 3.54 0.02 . 2 . . . . . . . . 5218 1 142 . 1 1 33 33 GLY C C 13 176.3 0.2 . 1 . . . . . . . . 5218 1 143 . 1 1 34 34 THR N N 15 120.8 0.1 . 1 . . . . . . . . 5218 1 144 . 1 1 34 34 THR H H 1 9.21 0.02 . 1 . . . . . . . . 5218 1 145 . 1 1 34 34 THR CA C 13 66.7 0.2 . 1 . . . . . . . . 5218 1 146 . 1 1 34 34 THR HA H 1 4.07 0.02 . 1 . . . . . . . . 5218 1 147 . 1 1 34 34 THR HB H 1 4.32 0.02 . 1 . . . . . . . . 5218 1 148 . 1 1 34 34 THR C C 13 177.1 0.2 . 1 . . . . . . . . 5218 1 149 . 1 1 35 35 GLY N N 15 112.3 0.1 . 1 . . . . . . . . 5218 1 150 . 1 1 35 35 GLY H H 1 8.62 0.02 . 1 . . . . . . . . 5218 1 151 . 1 1 35 35 GLY CA C 13 47.2 0.2 . 1 . . . . . . . . 5218 1 152 . 1 1 35 35 GLY HA2 H 1 4.10 0.02 . 2 . . . . . . . . 5218 1 153 . 1 1 35 35 GLY HA3 H 1 3.31 0.02 . 2 . . . . . . . . 5218 1 154 . 1 1 35 35 GLY C C 13 174.3 0.2 . 1 . . . . . . . . 5218 1 155 . 1 1 36 36 LEU N N 15 121.7 0.1 . 1 . . . . . . . . 5218 1 156 . 1 1 36 36 LEU H H 1 8.96 0.02 . 1 . . . . . . . . 5218 1 157 . 1 1 36 36 LEU CA C 13 57.7 0.2 . 1 . . . . . . . . 5218 1 158 . 1 1 36 36 LEU HA H 1 3.01 0.02 . 1 . . . . . . . . 5218 1 159 . 1 1 36 36 LEU CB C 13 40.8 0.2 . 1 . . . . . . . . 5218 1 160 . 1 1 36 36 LEU C C 13 178.0 0.2 . 1 . . . . . . . . 5218 1 161 . 1 1 37 37 HIS N N 15 111.8 0.1 . 1 . . . . . . . . 5218 1 162 . 1 1 37 37 HIS H H 1 7.45 0.02 . 1 . . . . . . . . 5218 1 163 . 1 1 37 37 HIS CA C 13 62.8 0.2 . 1 . . . . . . . . 5218 1 164 . 1 1 37 37 HIS HA H 1 4.01 0.02 . 1 . . . . . . . . 5218 1 165 . 1 1 37 37 HIS CB C 13 27.43 0.2 . 1 . . . . . . . . 5218 1 166 . 1 1 37 37 HIS C C 13 177.1 0.2 . 1 . . . . . . . . 5218 1 167 . 1 1 38 38 HIS N N 15 120.2 0.1 . 1 . . . . . . . . 5218 1 168 . 1 1 38 38 HIS H H 1 8.53 0.02 . 1 . . . . . . . . 5218 1 169 . 1 1 38 38 HIS CA C 13 58.4 0.2 . 1 . . . . . . . . 5218 1 170 . 1 1 38 38 HIS HA H 1 4.33 0.02 . 1 . . . . . . . . 5218 1 171 . 1 1 38 38 HIS CB C 13 28.9 0.2 . 1 . . . . . . . . 5218 1 172 . 1 1 38 38 HIS C C 13 177.0 0.2 . 1 . . . . . . . . 5218 1 173 . 1 1 39 39 MET N N 15 116.0 0.1 . 1 . . . . . . . . 5218 1 174 . 1 1 39 39 MET H H 1 7.71 0.02 . 1 . . . . . . . . 5218 1 175 . 1 1 39 39 MET CA C 13 59.1 0.2 . 1 . . . . . . . . 5218 1 176 . 1 1 39 39 MET HA H 1 3.69 0.02 . 1 . . . . . . . . 5218 1 177 . 1 1 39 39 MET CB C 13 34.2 0.2 . 1 . . . . . . . . 5218 1 178 . 1 1 39 39 MET C C 13 177.0 0.2 . 1 . . . . . . . . 5218 1 179 . 1 1 40 40 VAL N N 15 112.9 0.1 . 1 . . . . . . . . 5218 1 180 . 1 1 40 40 VAL H H 1 6.83 0.02 . 1 . . . . . . . . 5218 1 181 . 1 1 40 40 VAL CA C 13 65.6 0.2 . 1 . . . . . . . . 5218 1 182 . 1 1 40 40 VAL HA H 1 3.41 0.02 . 1 . . . . . . . . 5218 1 183 . 1 1 40 40 VAL CB C 13 30.7 0.2 . 1 . . . . . . . . 5218 1 184 . 1 1 40 40 VAL C C 13 178.2 0.2 . 1 . . . . . . . . 5218 1 185 . 1 1 41 41 PHE N N 15 118.3 0.1 . 1 . . . . . . . . 5218 1 186 . 1 1 41 41 PHE H H 1 7.27 0.02 . 1 . . . . . . . . 5218 1 187 . 1 1 41 41 PHE CA C 13 58.5 0.2 . 1 . . . . . . . . 5218 1 188 . 1 1 41 41 PHE HA H 1 4.3 0.02 . 1 . . . . . . . . 5218 1 189 . 1 1 41 41 PHE CB C 13 36.3 0.2 . 1 . . . . . . . . 5218 1 190 . 1 1 41 41 PHE C C 13 177.9 0.2 . 1 . . . . . . . . 5218 1 191 . 1 1 42 42 GLU N N 15 119.0 0.1 . 1 . . . . . . . . 5218 1 192 . 1 1 42 42 GLU H H 1 8.36 0.02 . 1 . . . . . . . . 5218 1 193 . 1 1 42 42 GLU CA C 13 58.8 0.2 . 1 . . . . . . . . 5218 1 194 . 1 1 42 42 GLU HA H 1 4.08 0.02 . 1 . . . . . . . . 5218 1 195 . 1 1 42 42 GLU CB C 13 29.0 0.2 . 1 . . . . . . . . 5218 1 196 . 1 1 42 42 GLU C C 13 178.7 0.2 . 1 . . . . . . . . 5218 1 197 . 1 1 43 43 VAL N N 15 118.1 0.1 . 1 . . . . . . . . 5218 1 198 . 1 1 43 43 VAL H H 1 7.13 0.02 . 1 . . . . . . . . 5218 1 199 . 1 1 43 43 VAL CA C 13 66.1 0.2 . 1 . . . . . . . . 5218 1 200 . 1 1 43 43 VAL HA H 1 3.56 0.02 . 1 . . . . . . . . 5218 1 201 . 1 1 43 43 VAL CB C 13 31.2 0.2 . 1 . . . . . . . . 5218 1 202 . 1 1 43 43 VAL C C 13 179.4 0.2 . 1 . . . . . . . . 5218 1 203 . 1 1 44 44 VAL N N 15 121.3 0.1 . 1 . . . . . . . . 5218 1 204 . 1 1 44 44 VAL H H 1 8.68 0.02 . 1 . . . . . . . . 5218 1 205 . 1 1 44 44 VAL CA C 13 66.7 0.2 . 1 . . . . . . . . 5218 1 206 . 1 1 44 44 VAL HA H 1 3.52 0.02 . 1 . . . . . . . . 5218 1 207 . 1 1 44 44 VAL CB C 13 31.01 0.2 . 1 . . . . . . . . 5218 1 208 . 1 1 44 44 VAL C C 13 177.2 0.2 . 1 . . . . . . . . 5218 1 209 . 1 1 45 45 ASP N N 15 120.3 0.1 . 1 . . . . . . . . 5218 1 210 . 1 1 45 45 ASP H H 1 8.58 0.02 . 1 . . . . . . . . 5218 1 211 . 1 1 45 45 ASP CA C 13 57.5 0.2 . 1 . . . . . . . . 5218 1 212 . 1 1 45 45 ASP HA H 1 4.41 0.02 . 1 . . . . . . . . 5218 1 213 . 1 1 45 45 ASP CB C 13 40.0 0.2 . 1 . . . . . . . . 5218 1 214 . 1 1 45 45 ASP C C 13 178.2 0.2 . 1 . . . . . . . . 5218 1 215 . 1 1 46 46 ASN N N 15 116.8 0.1 . 1 . . . . . . . . 5218 1 216 . 1 1 46 46 ASN H H 1 7.20 0.02 . 1 . . . . . . . . 5218 1 217 . 1 1 46 46 ASN CA C 13 56.5 0.2 . 1 . . . . . . . . 5218 1 218 . 1 1 46 46 ASN HA H 1 4.51 0.02 . 1 . . . . . . . . 5218 1 219 . 1 1 46 46 ASN CB C 13 38.5 0.2 . 1 . . . . . . . . 5218 1 220 . 1 1 46 46 ASN C C 13 176.8 0.2 . 1 . . . . . . . . 5218 1 221 . 1 1 47 47 ALA N N 15 123.2 0.1 . 1 . . . . . . . . 5218 1 222 . 1 1 47 47 ALA H H 1 7.34 0.02 . 1 . . . . . . . . 5218 1 223 . 1 1 47 47 ALA CA C 13 54.7 0.2 . 1 . . . . . . . . 5218 1 224 . 1 1 47 47 ALA HA H 1 4.31 0.02 . 1 . . . . . . . . 5218 1 225 . 1 1 47 47 ALA CB C 13 18.1 0.2 . 1 . . . . . . . . 5218 1 226 . 1 1 47 47 ALA C C 13 179.7 0.2 . 1 . . . . . . . . 5218 1 227 . 1 1 48 48 ILE N N 15 120.1 0.1 . 1 . . . . . . . . 5218 1 228 . 1 1 48 48 ILE H H 1 8.69 0.02 . 1 . . . . . . . . 5218 1 229 . 1 1 48 48 ILE CA C 13 62.4 0.2 . 1 . . . . . . . . 5218 1 230 . 1 1 48 48 ILE HA H 1 3.69 0.02 . 1 . . . . . . . . 5218 1 231 . 1 1 48 48 ILE CB C 13 34.6 0.2 . 1 . . . . . . . . 5218 1 232 . 1 1 48 48 ILE C C 13 178.3 0.2 . 1 . . . . . . . . 5218 1 233 . 1 1 49 49 ASP N N 15 120.7 0.1 . 1 . . . . . . . . 5218 1 234 . 1 1 49 49 ASP H H 1 7.97 0.02 . 1 . . . . . . . . 5218 1 235 . 1 1 49 49 ASP CA C 13 57.9 0.2 . 1 . . . . . . . . 5218 1 236 . 1 1 49 49 ASP HA H 1 4.48 0.02 . 1 . . . . . . . . 5218 1 237 . 1 1 49 49 ASP CB C 13 40.0 0.2 . 1 . . . . . . . . 5218 1 238 . 1 1 49 49 ASP C C 13 179.3 0.2 . 1 . . . . . . . . 5218 1 239 . 1 1 50 50 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 5218 1 240 . 1 1 50 50 GLU H H 1 7.31 0.02 . 1 . . . . . . . . 5218 1 241 . 1 1 50 50 GLU CA C 13 57.8 0.2 . 1 . . . . . . . . 5218 1 242 . 1 1 50 50 GLU HA H 1 3.97 0.02 . 1 . . . . . . . . 5218 1 243 . 1 1 50 50 GLU CB C 13 29.3 0.2 . 1 . . . . . . . . 5218 1 244 . 1 1 50 50 GLU C C 13 178.9 0.2 . 1 . . . . . . . . 5218 1 245 . 1 1 51 51 ALA N N 15 125.1 0.1 . 1 . . . . . . . . 5218 1 246 . 1 1 51 51 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 5218 1 247 . 1 1 51 51 ALA CA C 13 54.7 0.2 . 1 . . . . . . . . 5218 1 248 . 1 1 51 51 ALA HA H 1 4.55 0.02 . 1 . . . . . . . . 5218 1 249 . 1 1 51 51 ALA CB C 13 17.7 0.2 . 1 . . . . . . . . 5218 1 250 . 1 1 51 51 ALA C C 13 181.8 0.2 . 1 . . . . . . . . 5218 1 251 . 1 1 52 52 LEU N N 15 123.1 0.1 . 1 . . . . . . . . 5218 1 252 . 1 1 52 52 LEU H H 1 9.12 0.02 . 1 . . . . . . . . 5218 1 253 . 1 1 52 52 LEU CA C 13 57.2 0.2 . 1 . . . . . . . . 5218 1 254 . 1 1 52 52 LEU HA H 1 4.11 0.02 . 1 . . . . . . . . 5218 1 255 . 1 1 52 52 LEU CB C 13 40.7 0.2 . 1 . . . . . . . . 5218 1 256 . 1 1 52 52 LEU C C 13 179.0 0.2 . 1 . . . . . . . . 5218 1 257 . 1 1 53 53 ALA N N 15 118.1 0.1 . 1 . . . . . . . . 5218 1 258 . 1 1 53 53 ALA H H 1 7.45 0.02 . 1 . . . . . . . . 5218 1 259 . 1 1 53 53 ALA CA C 13 52.1 0.2 . 1 . . . . . . . . 5218 1 260 . 1 1 53 53 ALA HA H 1 4.31 0.02 . 1 . . . . . . . . 5218 1 261 . 1 1 53 53 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 5218 1 262 . 1 1 53 53 ALA C C 13 177.1 0.2 . 1 . . . . . . . . 5218 1 263 . 1 1 54 54 GLY N N 15 104.1 0.1 . 1 . . . . . . . . 5218 1 264 . 1 1 54 54 GLY H H 1 7.73 0.02 . 1 . . . . . . . . 5218 1 265 . 1 1 54 54 GLY CA C 13 44.5 0.2 . 1 . . . . . . . . 5218 1 266 . 1 1 54 54 GLY HA2 H 1 3.73 0.02 . 2 . . . . . . . . 5218 1 267 . 1 1 54 54 GLY HA3 H 1 3.99 0.02 . 2 . . . . . . . . 5218 1 268 . 1 1 54 54 GLY C C 13 174.6 0.2 . 1 . . . . . . . . 5218 1 269 . 1 1 55 55 HIS N N 15 115.9 0.1 . 1 . . . . . . . . 5218 1 270 . 1 1 55 55 HIS H H 1 7.55 0.02 . 1 . . . . . . . . 5218 1 271 . 1 1 55 55 HIS CA C 13 56.6 0.2 . 1 . . . . . . . . 5218 1 272 . 1 1 55 55 HIS HA H 1 4.74 0.02 . 1 . . . . . . . . 5218 1 273 . 1 1 55 55 HIS CB C 13 32.6 0.2 . 1 . . . . . . . . 5218 1 274 . 1 1 55 55 HIS C C 13 174.1 0.2 . 1 . . . . . . . . 5218 1 275 . 1 1 56 56 CYS N N 15 118.0 0.1 . 1 . . . . . . . . 5218 1 276 . 1 1 56 56 CYS H H 1 7.11 0.02 . 1 . . . . . . . . 5218 1 277 . 1 1 56 56 CYS CA C 13 55.8 0.2 . 1 . . . . . . . . 5218 1 278 . 1 1 56 56 CYS HA H 1 4.61 0.02 . 1 . . . . . . . . 5218 1 279 . 1 1 56 56 CYS CB C 13 28.5 0.2 . 1 . . . . . . . . 5218 1 280 . 1 1 56 56 CYS C C 13 172.5 0.2 . 1 . . . . . . . . 5218 1 281 . 1 1 57 57 LYS N N 15 128.6 0.1 . 1 . . . . . . . . 5218 1 282 . 1 1 57 57 LYS H H 1 10.31 0.02 . 1 . . . . . . . . 5218 1 283 . 1 1 57 57 LYS CA C 13 56.2 0.2 . 1 . . . . . . . . 5218 1 284 . 1 1 57 57 LYS C C 13 176.0 0.2 . 1 . . . . . . . . 5218 1 285 . 1 1 58 58 GLU N N 15 125.1 0.1 . 1 . . . . . . . . 5218 1 286 . 1 1 58 58 GLU H H 1 9.19 0.02 . 1 . . . . . . . . 5218 1 287 . 1 1 58 58 GLU CA C 13 55.4 0.2 . 1 . . . . . . . . 5218 1 288 . 1 1 58 58 GLU HA H 1 5.46 0.02 . 1 . . . . . . . . 5218 1 289 . 1 1 58 58 GLU CB C 13 32.6 0.2 . 1 . . . . . . . . 5218 1 290 . 1 1 58 58 GLU C C 13 173.9 0.2 . 1 . . . . . . . . 5218 1 291 . 1 1 59 59 ILE N N 15 126.9 0.1 . 1 . . . . . . . . 5218 1 292 . 1 1 59 59 ILE H H 1 8.85 0.02 . 1 . . . . . . . . 5218 1 293 . 1 1 59 59 ILE CA C 13 59.3 0.2 . 1 . . . . . . . . 5218 1 294 . 1 1 59 59 ILE HA H 1 4.90 0.02 . 1 . . . . . . . . 5218 1 295 . 1 1 59 59 ILE CB C 13 41.2 0.2 . 1 . . . . . . . . 5218 1 296 . 1 1 59 59 ILE C C 13 174.6 0.2 . 1 . . . . . . . . 5218 1 297 . 1 1 60 60 ILE N N 15 125.2 0.1 . 1 . . . . . . . . 5218 1 298 . 1 1 60 60 ILE H H 1 9.37 0.02 . 1 . . . . . . . . 5218 1 299 . 1 1 60 60 ILE CA C 13 59.9 0.2 . 1 . . . . . . . . 5218 1 300 . 1 1 60 60 ILE HA H 1 4.77 0.02 . 1 . . . . . . . . 5218 1 301 . 1 1 60 60 ILE CB C 13 39.9 0.2 . 1 . . . . . . . . 5218 1 302 . 1 1 60 60 ILE C C 13 176.0 0.2 . 1 . . . . . . . . 5218 1 303 . 1 1 61 61 VAL N N 15 134.0 0.1 . 1 . . . . . . . . 5218 1 304 . 1 1 61 61 VAL H H 1 9.70 0.02 . 1 . . . . . . . . 5218 1 305 . 1 1 61 61 VAL CA C 13 60.7 0.2 . 1 . . . . . . . . 5218 1 306 . 1 1 61 61 VAL HA H 1 5.01 0.02 . 1 . . . . . . . . 5218 1 307 . 1 1 61 61 VAL CB C 13 31.7 0.2 . 1 . . . . . . . . 5218 1 308 . 1 1 61 61 VAL C C 13 173.6 0.2 . 1 . . . . . . . . 5218 1 309 . 1 1 62 62 THR N N 15 122.9 0.1 . 1 . . . . . . . . 5218 1 310 . 1 1 62 62 THR H H 1 9.24 0.02 . 1 . . . . . . . . 5218 1 311 . 1 1 62 62 THR CA C 13 60.5 0.2 . 1 . . . . . . . . 5218 1 312 . 1 1 62 62 THR HA H 1 5.17 0.02 . 1 . . . . . . . . 5218 1 313 . 1 1 62 62 THR CB C 13 69.9 0.2 . 1 . . . . . . . . 5218 1 314 . 1 1 62 62 THR C C 13 172.7 0.2 . 1 . . . . . . . . 5218 1 315 . 1 1 63 63 ILE N N 15 125.8 0.1 . 1 . . . . . . . . 5218 1 316 . 1 1 63 63 ILE H H 1 9.09 0.02 . 1 . . . . . . . . 5218 1 317 . 1 1 63 63 ILE CA C 13 60.8 0.2 . 1 . . . . . . . . 5218 1 318 . 1 1 63 63 ILE HA H 1 4.16 0.02 . 1 . . . . . . . . 5218 1 319 . 1 1 63 63 ILE CB C 13 38.3 0.2 . 1 . . . . . . . . 5218 1 320 . 1 1 63 63 ILE C C 13 174.8 0.2 . 1 . . . . . . . . 5218 1 321 . 1 1 64 64 HIS N N 15 125.9 0.1 . 1 . . . . . . . . 5218 1 322 . 1 1 64 64 HIS H H 1 8.66 0.02 . 1 . . . . . . . . 5218 1 323 . 1 1 64 64 HIS CA C 13 56.6 0.2 . 1 . . . . . . . . 5218 1 324 . 1 1 64 64 HIS HA H 1 4.21 0.02 . 1 . . . . . . . . 5218 1 325 . 1 1 64 64 HIS CB C 13 30.8 0.2 . 1 . . . . . . . . 5218 1 326 . 1 1 64 64 HIS C C 13 175.5 0.2 . 1 . . . . . . . . 5218 1 327 . 1 1 65 65 ALA N N 15 120.9 0.1 . 1 . . . . . . . . 5218 1 328 . 1 1 65 65 ALA H H 1 9.24 0.02 . 1 . . . . . . . . 5218 1 329 . 1 1 65 65 ALA CA C 13 53.4 0.2 . 1 . . . . . . . . 5218 1 330 . 1 1 65 65 ALA HA H 1 4.17 0.02 . 1 . . . . . . . . 5218 1 331 . 1 1 65 65 ALA CB C 13 17.5 0.2 . 1 . . . . . . . . 5218 1 332 . 1 1 65 65 ALA C C 13 176.3 0.2 . 1 . . . . . . . . 5218 1 333 . 1 1 66 66 ASP N N 15 117.5 0.1 . 1 . . . . . . . . 5218 1 334 . 1 1 66 66 ASP H H 1 7.98 0.02 . 1 . . . . . . . . 5218 1 335 . 1 1 66 66 ASP CA C 13 52.3 0.2 . 1 . . . . . . . . 5218 1 336 . 1 1 66 66 ASP HA H 1 4.68 0.02 . 1 . . . . . . . . 5218 1 337 . 1 1 66 66 ASP CB C 13 39.4 0.2 . 1 . . . . . . . . 5218 1 338 . 1 1 66 66 ASP C C 13 175.9 0.2 . 1 . . . . . . . . 5218 1 339 . 1 1 67 67 ASN N N 15 113.4 0.1 . 1 . . . . . . . . 5218 1 340 . 1 1 67 67 ASN H H 1 8.23 0.02 . 1 . . . . . . . . 5218 1 341 . 1 1 67 67 ASN CA C 13 55.5 0.2 . 1 . . . . . . . . 5218 1 342 . 1 1 67 67 ASN HA H 1 4.36 0.02 . 1 . . . . . . . . 5218 1 343 . 1 1 67 67 ASN CB C 13 37.8 0.2 . 1 . . . . . . . . 5218 1 344 . 1 1 67 67 ASN C C 13 172.8 0.2 . 1 . . . . . . . . 5218 1 345 . 1 1 68 68 SER N N 15 107.4 0.1 . 1 . . . . . . . . 5218 1 346 . 1 1 68 68 SER H H 1 7.04 0.02 . 1 . . . . . . . . 5218 1 347 . 1 1 68 68 SER CA C 13 55.9 0.2 . 1 . . . . . . . . 5218 1 348 . 1 1 68 68 SER HA H 1 4.60 0.02 . 1 . . . . . . . . 5218 1 349 . 1 1 68 68 SER CB C 13 64.7 0.2 . 1 . . . . . . . . 5218 1 350 . 1 1 68 68 SER C C 13 173.1 0.2 . 1 . . . . . . . . 5218 1 351 . 1 1 69 69 VAL N N 15 117.2 0.1 . 1 . . . . . . . . 5218 1 352 . 1 1 69 69 VAL H H 1 7.01 0.02 . 1 . . . . . . . . 5218 1 353 . 1 1 69 69 VAL CA C 13 58.7 0.2 . 1 . . . . . . . . 5218 1 354 . 1 1 69 69 VAL HA H 1 4.97 0.02 . 1 . . . . . . . . 5218 1 355 . 1 1 69 69 VAL CB C 13 34.7 0.2 . 1 . . . . . . . . 5218 1 356 . 1 1 69 69 VAL C C 13 174.2 0.2 . 1 . . . . . . . . 5218 1 357 . 1 1 70 70 SER N N 15 117.5 0.1 . 1 . . . . . . . . 5218 1 358 . 1 1 70 70 SER H H 1 9.29 0.02 . 1 . . . . . . . . 5218 1 359 . 1 1 70 70 SER CA C 13 55.2 0.2 . 1 . . . . . . . . 5218 1 360 . 1 1 70 70 SER HA H 1 6.00 0.02 . 1 . . . . . . . . 5218 1 361 . 1 1 70 70 SER CB C 13 67.5 0.2 . 1 . . . . . . . . 5218 1 362 . 1 1 70 70 SER C C 13 173.5 0.2 . 1 . . . . . . . . 5218 1 363 . 1 1 71 71 VAL N N 15 121.3 0.1 . 1 . . . . . . . . 5218 1 364 . 1 1 71 71 VAL H H 1 9.21 0.02 . 1 . . . . . . . . 5218 1 365 . 1 1 71 71 VAL CA C 13 61.1 0.2 . 1 . . . . . . . . 5218 1 366 . 1 1 71 71 VAL HA H 1 4.82 0.02 . 1 . . . . . . . . 5218 1 367 . 1 1 71 71 VAL CB C 13 33.8 0.2 . 1 . . . . . . . . 5218 1 368 . 1 1 71 71 VAL C C 13 174.3 0.2 . 1 . . . . . . . . 5218 1 369 . 1 1 72 72 GLN N N 15 128.0 0.1 . 1 . . . . . . . . 5218 1 370 . 1 1 72 72 GLN H H 1 9.24 0.02 . 1 . . . . . . . . 5218 1 371 . 1 1 72 72 GLN CA C 13 53.1 0.2 . 1 . . . . . . . . 5218 1 372 . 1 1 72 72 GLN HA H 1 5.55 0.02 . 1 . . . . . . . . 5218 1 373 . 1 1 72 72 GLN CB C 13 32.7 0.2 . 1 . . . . . . . . 5218 1 374 . 1 1 72 72 GLN C C 13 173.3 0.2 . 1 . . . . . . . . 5218 1 375 . 1 1 73 73 ASP N N 15 124.6 0.1 . 1 . . . . . . . . 5218 1 376 . 1 1 73 73 ASP H H 1 9.21 0.02 . 1 . . . . . . . . 5218 1 377 . 1 1 73 73 ASP CA C 13 52.4 0.2 . 1 . . . . . . . . 5218 1 378 . 1 1 73 73 ASP HA H 1 5.74 0.02 . 1 . . . . . . . . 5218 1 379 . 1 1 73 73 ASP CB C 13 46.2 0.2 . 1 . . . . . . . . 5218 1 380 . 1 1 73 73 ASP C C 13 174.7 0.2 . 1 . . . . . . . . 5218 1 381 . 1 1 74 74 ASP N N 15 120.7 0.1 . 1 . . . . . . . . 5218 1 382 . 1 1 74 74 ASP H H 1 8.15 0.02 . 1 . . . . . . . . 5218 1 383 . 1 1 74 74 ASP CA C 13 52.2 0.2 . 1 . . . . . . . . 5218 1 384 . 1 1 74 74 ASP HA H 1 5.48 0.02 . 1 . . . . . . . . 5218 1 385 . 1 1 74 74 ASP CB C 13 39.4 0.2 . 1 . . . . . . . . 5218 1 386 . 1 1 74 74 ASP C C 13 177.3 0.2 . 1 . . . . . . . . 5218 1 387 . 1 1 75 75 GLY N N 15 106.1 0.1 . 1 . . . . . . . . 5218 1 388 . 1 1 75 75 GLY H H 1 9.48 0.02 . 1 . . . . . . . . 5218 1 389 . 1 1 75 75 GLY CA C 13 44.0 0.2 . 1 . . . . . . . . 5218 1 390 . 1 1 75 75 GLY HA2 H 1 3.66 0.02 . 2 . . . . . . . . 5218 1 391 . 1 1 75 75 GLY HA3 H 1 4.56 0.02 . 2 . . . . . . . . 5218 1 392 . 1 1 75 75 GLY C C 13 173.4 0.2 . 1 . . . . . . . . 5218 1 393 . 1 1 76 76 ARG N N 15 115.8 0.1 . 1 . . . . . . . . 5218 1 394 . 1 1 76 76 ARG H H 1 8.74 0.02 . 1 . . . . . . . . 5218 1 395 . 1 1 76 76 ARG CA C 13 57.8 0.2 . 1 . . . . . . . . 5218 1 396 . 1 1 76 76 ARG HA H 1 3.87 0.02 . 1 . . . . . . . . 5218 1 397 . 1 1 76 76 ARG CB C 13 31.1 0.2 . 1 . . . . . . . . 5218 1 398 . 1 1 76 76 ARG C C 13 178.1 0.2 . 1 . . . . . . . . 5218 1 399 . 1 1 77 77 GLY N N 15 105.1 0.1 . 1 . . . . . . . . 5218 1 400 . 1 1 77 77 GLY H H 1 8.39 0.02 . 1 . . . . . . . . 5218 1 401 . 1 1 77 77 GLY CA C 13 43.0 0.2 . 1 . . . . . . . . 5218 1 402 . 1 1 77 77 GLY C C 13 174.0 0.2 . 1 . . . . . . . . 5218 1 403 . 1 1 78 78 ILE N N 15 128.0 0.1 . 1 . . . . . . . . 5218 1 404 . 1 1 78 78 ILE H H 1 6.69 0.02 . 1 . . . . . . . . 5218 1 405 . 1 1 78 78 ILE CA C 13 60.7 0.2 . 1 . . . . . . . . 5218 1 406 . 1 1 78 78 ILE C C 13 176.2 0.2 . 1 . . . . . . . . 5218 1 407 . 1 1 79 79 PRO HA H 1 3.77 0.02 . 1 . . . . . . . . 5218 1 408 . 1 1 79 79 PRO C C 13 175.3 0.2 . 1 . . . . . . . . 5218 1 409 . 1 1 80 80 THR N N 15 105.5 0.1 . 1 . . . . . . . . 5218 1 410 . 1 1 80 80 THR H H 1 7.17 0.02 . 1 . . . . . . . . 5218 1 411 . 1 1 80 80 THR CA C 13 63.5 0.2 . 1 . . . . . . . . 5218 1 412 . 1 1 80 80 THR HA H 1 3.98 0.02 . 1 . . . . . . . . 5218 1 413 . 1 1 80 80 THR C C 13 176.1 0.2 . 1 . . . . . . . . 5218 1 414 . 1 1 81 81 GLY N N 15 110.6 0.1 . 1 . . . . . . . . 5218 1 415 . 1 1 81 81 GLY H H 1 8.13 0.02 . 1 . . . . . . . . 5218 1 416 . 1 1 81 81 GLY CA C 13 44.4 0.2 . 1 . . . . . . . . 5218 1 417 . 1 1 81 81 GLY HA2 H 1 3.72 0.02 . 2 . . . . . . . . 5218 1 418 . 1 1 81 81 GLY HA3 H 1 3.99 0.02 . 2 . . . . . . . . 5218 1 419 . 1 1 81 81 GLY C C 13 173.2 0.2 . 1 . . . . . . . . 5218 1 420 . 1 1 82 82 ILE N N 15 120.9 0.1 . 1 . . . . . . . . 5218 1 421 . 1 1 82 82 ILE H H 1 8.48 0.02 . 1 . . . . . . . . 5218 1 422 . 1 1 82 82 ILE CA C 13 60.2 0.2 . 1 . . . . . . . . 5218 1 423 . 1 1 82 82 ILE HA H 1 3.60 0.02 . 1 . . . . . . . . 5218 1 424 . 1 1 82 82 ILE C C 13 176.3 0.2 . 1 . . . . . . . . 5218 1 425 . 1 1 83 83 HIS N N 15 132.4 0.1 . 1 . . . . . . . . 5218 1 426 . 1 1 83 83 HIS H H 1 8.83 0.02 . 1 . . . . . . . . 5218 1 427 . 1 1 83 83 HIS CA C 13 54.9 0.2 . 1 . . . . . . . . 5218 1 428 . 1 1 84 84 PRO HA H 1 4.25 0.02 . 1 . . . . . . . . 5218 1 429 . 1 1 84 84 PRO C C 13 177.7 0.2 . 1 . . . . . . . . 5218 1 430 . 1 1 85 85 GLU N N 15 116.7 0.1 . 1 . . . . . . . . 5218 1 431 . 1 1 85 85 GLU H H 1 8.88 0.02 . 1 . . . . . . . . 5218 1 432 . 1 1 85 85 GLU CA C 13 57.6 0.2 . 1 . . . . . . . . 5218 1 433 . 1 1 85 85 GLU HA H 1 4.44 0.02 . 1 . . . . . . . . 5218 1 434 . 1 1 85 85 GLU C C 13 177.9 0.2 . 1 . . . . . . . . 5218 1 435 . 1 1 86 86 GLU N N 15 117.2 0.1 . 1 . . . . . . . . 5218 1 436 . 1 1 86 86 GLU H H 1 8.62 0.02 . 1 . . . . . . . . 5218 1 437 . 1 1 86 86 GLU CA C 13 56.5 0.2 . 1 . . . . . . . . 5218 1 438 . 1 1 86 86 GLU HA H 1 4.37 0.02 . 1 . . . . . . . . 5218 1 439 . 1 1 86 86 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 5218 1 440 . 1 1 86 86 GLU C C 13 178.2 0.2 . 1 . . . . . . . . 5218 1 441 . 1 1 87 87 GLY N N 15 104.7 0.1 . 1 . . . . . . . . 5218 1 442 . 1 1 87 87 GLY H H 1 8.39 0.02 . 1 . . . . . . . . 5218 1 443 . 1 1 87 87 GLY CA C 13 46.0 0.2 . 1 . . . . . . . . 5218 1 444 . 1 1 87 87 GLY HA2 H 1 3.68 0.02 . 2 . . . . . . . . 5218 1 445 . 1 1 87 87 GLY HA3 H 1 4.01 0.02 . 2 . . . . . . . . 5218 1 446 . 1 1 87 87 GLY C C 13 173.1 0.2 . 1 . . . . . . . . 5218 1 447 . 1 1 88 88 VAL N N 15 109.5 0.1 . 1 . . . . . . . . 5218 1 448 . 1 1 88 88 VAL H H 1 6.87 0.02 . 1 . . . . . . . . 5218 1 449 . 1 1 88 88 VAL CA C 13 63.0 0.2 . 1 . . . . . . . . 5218 1 450 . 1 1 89 89 SER N N 15 116.4 0.1 . 1 . . . . . . . . 5218 1 451 . 1 1 89 89 SER H H 1 8.27 0.02 . 1 . . . . . . . . 5218 1 452 . 1 1 89 89 SER CA C 13 59.0 0.2 . 1 . . . . . . . . 5218 1 453 . 1 1 89 89 SER CB C 13 64.8 0.2 . 1 . . . . . . . . 5218 1 454 . 1 1 89 89 SER C C 13 174.1 0.2 . 1 . . . . . . . . 5218 1 455 . 1 1 90 90 ALA N N 15 124.7 0.1 . 1 . . . . . . . . 5218 1 456 . 1 1 90 90 ALA H H 1 8.85 0.02 . 1 . . . . . . . . 5218 1 457 . 1 1 90 90 ALA CA C 13 54.9 0.2 . 1 . . . . . . . . 5218 1 458 . 1 1 90 90 ALA HA H 1 4.01 0.02 . 1 . . . . . . . . 5218 1 459 . 1 1 90 90 ALA C C 13 179.3 0.2 . 1 . . . . . . . . 5218 1 460 . 1 1 91 91 ALA N N 15 118.0 0.1 . 1 . . . . . . . . 5218 1 461 . 1 1 91 91 ALA H H 1 6.95 0.02 . 1 . . . . . . . . 5218 1 462 . 1 1 91 91 ALA CA C 13 54.7 0.2 . 1 . . . . . . . . 5218 1 463 . 1 1 91 91 ALA HA H 1 3.96 0.02 . 1 . . . . . . . . 5218 1 464 . 1 1 91 91 ALA C C 13 177.1 0.2 . 1 . . . . . . . . 5218 1 465 . 1 1 92 92 GLU N N 15 118.0 0.1 . 1 . . . . . . . . 5218 1 466 . 1 1 92 92 GLU H H 1 7.57 0.02 . 1 . . . . . . . . 5218 1 467 . 1 1 92 92 GLU CA C 13 58.3 0.2 . 1 . . . . . . . . 5218 1 468 . 1 1 92 92 GLU HA H 1 4.25 0.02 . 1 . . . . . . . . 5218 1 469 . 1 1 92 92 GLU CB C 13 28.5 0.2 . 1 . . . . . . . . 5218 1 470 . 1 1 92 92 GLU C C 13 180.4 0.2 . 1 . . . . . . . . 5218 1 471 . 1 1 93 93 VAL N N 15 121.9 0.1 . 1 . . . . . . . . 5218 1 472 . 1 1 93 93 VAL H H 1 7.88 0.02 . 1 . . . . . . . . 5218 1 473 . 1 1 93 93 VAL CA C 13 66.9 0.2 . 1 . . . . . . . . 5218 1 474 . 1 1 93 93 VAL HA H 1 3.34 0.02 . 1 . . . . . . . . 5218 1 475 . 1 1 93 93 VAL CB C 13 30.7 0.2 . 1 . . . . . . . . 5218 1 476 . 1 1 95 95 MET C C 13 178.4 0.2 . 1 . . . . . . . . 5218 1 477 . 1 1 96 96 THR N N 15 105.8 0.1 . 1 . . . . . . . . 5218 1 478 . 1 1 96 96 THR H H 1 7.68 0.02 . 1 . . . . . . . . 5218 1 479 . 1 1 96 96 THR C C 13 173.4 0.2 . 1 . . . . . . . . 5218 1 480 . 1 1 97 97 VAL N N 15 121.9 0.1 . 1 . . . . . . . . 5218 1 481 . 1 1 97 97 VAL H H 1 7.7 0.02 . 1 . . . . . . . . 5218 1 482 . 1 1 97 97 VAL CA C 13 61.7 0.2 . 1 . . . . . . . . 5218 1 483 . 1 1 99 99 HIS HA H 1 4.13 0.02 . 1 . . . . . . . . 5218 1 484 . 1 1 99 99 HIS C C 13 175.2 0.2 . 1 . . . . . . . . 5218 1 485 . 1 1 100 100 ALA N N 15 124.3 0.1 . 1 . . . . . . . . 5218 1 486 . 1 1 100 100 ALA H H 1 8.22 0.02 . 1 . . . . . . . . 5218 1 487 . 1 1 100 100 ALA CA C 13 52.5 0.2 . 1 . . . . . . . . 5218 1 488 . 1 1 100 100 ALA HA H 1 4.30 0.02 . 1 . . . . . . . . 5218 1 489 . 1 1 100 100 ALA C C 13 178.0 0.2 . 1 . . . . . . . . 5218 1 490 . 1 1 101 101 GLY N N 15 107.6 0.1 . 1 . . . . . . . . 5218 1 491 . 1 1 101 101 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 5218 1 492 . 1 1 101 101 GLY HA2 H 1 3.95 0.02 . 2 . . . . . . . . 5218 1 493 . 1 1 102 102 GLY CA C 13 44.9 0.2 . 1 . . . . . . . . 5218 1 494 . 1 1 102 102 GLY C C 13 173.8 0.2 . 1 . . . . . . . . 5218 1 495 . 1 1 103 103 LYS N N 15 120.1 0.1 . 1 . . . . . . . . 5218 1 496 . 1 1 103 103 LYS H H 1 8.05 0.02 . 1 . . . . . . . . 5218 1 497 . 1 1 103 103 LYS CA C 13 55.8 0.2 . 1 . . . . . . . . 5218 1 498 . 1 1 103 103 LYS CB C 13 32.3 0.2 . 1 . . . . . . . . 5218 1 499 . 1 1 103 103 LYS C C 13 175.9 0.2 . 1 . . . . . . . . 5218 1 500 . 1 1 104 104 PHE N N 15 120.0 0.1 . 1 . . . . . . . . 5218 1 501 . 1 1 104 104 PHE H H 1 8.15 0.02 . 1 . . . . . . . . 5218 1 502 . 1 1 104 104 PHE CA C 13 57.2 0.2 . 1 . . . . . . . . 5218 1 503 . 1 1 104 104 PHE CB C 13 39.3 0.2 . 1 . . . . . . . . 5218 1 504 . 1 1 104 104 PHE C C 13 175.2 0.2 . 1 . . . . . . . . 5218 1 505 . 1 1 105 105 ASP N N 15 121.2 0.1 . 1 . . . . . . . . 5218 1 506 . 1 1 105 105 ASP H H 1 8.18 0.02 . 1 . . . . . . . . 5218 1 507 . 1 1 105 105 ASP CA C 13 53.7 0.2 . 1 . . . . . . . . 5218 1 508 . 1 1 105 105 ASP HA H 1 4.56 0.02 . 1 . . . . . . . . 5218 1 509 . 1 1 105 105 ASP CB C 13 41.0 0.2 . 1 . . . . . . . . 5218 1 510 . 1 1 105 105 ASP C C 13 175.7 0.2 . 1 . . . . . . . . 5218 1 511 . 1 1 106 106 ASP N N 15 120.2 0.1 . 1 . . . . . . . . 5218 1 512 . 1 1 106 106 ASP H H 1 8.19 0.02 . 1 . . . . . . . . 5218 1 513 . 1 1 106 106 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 5218 1 514 . 1 1 106 106 ASP HA H 1 4.48 0.02 . 1 . . . . . . . . 5218 1 515 . 1 1 106 106 ASP CB C 13 40.6 0.2 . 1 . . . . . . . . 5218 1 516 . 1 1 106 106 ASP C C 13 176.4 0.2 . 1 . . . . . . . . 5218 1 517 . 1 1 107 107 ASN N N 15 117.8 0.1 . 1 . . . . . . . . 5218 1 518 . 1 1 107 107 ASN H H 1 8.42 0.02 . 1 . . . . . . . . 5218 1 519 . 1 1 107 107 ASN CA C 13 53.6 0.2 . 1 . . . . . . . . 5218 1 520 . 1 1 107 107 ASN HA H 1 4.62 0.02 . 1 . . . . . . . . 5218 1 521 . 1 1 107 107 ASN CB C 13 38.5 0.2 . 1 . . . . . . . . 5218 1 522 . 1 1 107 107 ASN C C 13 175.5 0.2 . 1 . . . . . . . . 5218 1 523 . 1 1 108 108 SER N N 15 115.3 0.1 . 1 . . . . . . . . 5218 1 524 . 1 1 108 108 SER H H 1 8.18 0.02 . 1 . . . . . . . . 5218 1 525 . 1 1 108 108 SER CA C 13 59.2 0.2 . 1 . . . . . . . . 5218 1 526 . 1 1 108 108 SER HA H 1 4.3 0.02 . 1 . . . . . . . . 5218 1 527 . 1 1 108 108 SER CB C 13 63.5 0.2 . 1 . . . . . . . . 5218 1 528 . 1 1 108 108 SER C C 13 174.3 0.2 . 1 . . . . . . . . 5218 1 529 . 1 1 109 109 TYR N N 15 121.2 0.1 . 1 . . . . . . . . 5218 1 530 . 1 1 109 109 TYR H H 1 8.03 0.02 . 1 . . . . . . . . 5218 1 531 . 1 1 109 109 TYR CA C 13 58.1 0.2 . 1 . . . . . . . . 5218 1 532 . 1 1 109 109 TYR HA H 1 4.44 0.02 . 1 . . . . . . . . 5218 1 533 . 1 1 109 109 TYR CB C 13 38.16 0.2 . 1 . . . . . . . . 5218 1 534 . 1 1 109 109 TYR C C 13 175.5 0.2 . 1 . . . . . . . . 5218 1 535 . 1 1 110 110 LYS N N 15 121.9 0.1 . 1 . . . . . . . . 5218 1 536 . 1 1 110 110 LYS H H 1 7.9 0.02 . 1 . . . . . . . . 5218 1 537 . 1 1 110 110 LYS CA C 13 55.9 0.2 . 1 . . . . . . . . 5218 1 538 . 1 1 110 110 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 5218 1 539 . 1 1 110 110 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 5218 1 540 . 1 1 110 110 LYS C C 13 176.5 0.2 . 1 . . . . . . . . 5218 1 541 . 1 1 111 111 VAL N N 15 120.1 0.1 . 1 . . . . . . . . 5218 1 542 . 1 1 111 111 VAL H H 1 8.05 0.02 . 1 . . . . . . . . 5218 1 543 . 1 1 111 111 VAL CA C 13 62.3 0.2 . 1 . . . . . . . . 5218 1 544 . 1 1 111 111 VAL C C 13 176.3 0.2 . 1 . . . . . . . . 5218 1 545 . 1 1 112 112 SER N N 15 117.6 0.1 . 1 . . . . . . . . 5218 1 546 . 1 1 112 112 SER H H 1 8.23 0.02 . 1 . . . . . . . . 5218 1 547 . 1 1 112 112 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 5218 1 548 . 1 1 112 112 SER C C 13 175.0 0.2 . 1 . . . . . . . . 5218 1 549 . 1 1 113 113 GLY N N 15 110.4 0.1 . 1 . . . . . . . . 5218 1 550 . 1 1 113 113 GLY H H 1 8.30 0.02 . 1 . . . . . . . . 5218 1 551 . 1 1 113 113 GLY CA C 13 45.0 0.2 . 1 . . . . . . . . 5218 1 552 . 1 1 113 113 GLY C C 13 174.4 0.2 . 1 . . . . . . . . 5218 1 553 . 1 1 114 114 GLY N N 15 108.1 0.1 . 1 . . . . . . . . 5218 1 554 . 1 1 114 114 GLY H H 1 8.19 0.02 . 1 . . . . . . . . 5218 1 555 . 1 1 114 114 GLY CA C 13 44.5 0.2 . 1 . . . . . . . . 5218 1 556 . 1 1 114 114 GLY C C 13 173.5 0.2 . 1 . . . . . . . . 5218 1 557 . 1 1 115 115 LEU N N 15 120.8 0.1 . 1 . . . . . . . . 5218 1 558 . 1 1 115 115 LEU H H 1 8.16 0.02 . 1 . . . . . . . . 5218 1 559 . 1 1 115 115 LEU CA C 13 54.6 0.2 . 1 . . . . . . . . 5218 1 560 . 1 1 115 115 LEU C C 13 176.9 0.2 . 1 . . . . . . . . 5218 1 561 . 1 1 116 116 HIS N N 15 119.0 0.1 . 1 . . . . . . . . 5218 1 562 . 1 1 116 116 HIS H H 1 8.33 0.02 . 1 . . . . . . . . 5218 1 563 . 1 1 116 116 HIS CA C 13 55.8 0.2 . 1 . . . . . . . . 5218 1 564 . 1 1 116 116 HIS HA H 1 4.64 0.02 . 1 . . . . . . . . 5218 1 565 . 1 1 116 116 HIS CB C 13 29.7 0.2 . 1 . . . . . . . . 5218 1 566 . 1 1 116 116 HIS C C 13 175.5 0.2 . 1 . . . . . . . . 5218 1 567 . 1 1 117 117 GLY N N 15 111.1 0.1 . 1 . . . . . . . . 5218 1 568 . 1 1 117 117 GLY H H 1 8.79 0.02 . 1 . . . . . . . . 5218 1 569 . 1 1 117 117 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 5218 1 570 . 1 1 117 117 GLY C C 13 174.7 0.2 . 1 . . . . . . . . 5218 1 571 . 1 1 118 118 VAL N N 15 117.0 0.1 . 1 . . . . . . . . 5218 1 572 . 1 1 118 118 VAL H H 1 8.29 0.02 . 1 . . . . . . . . 5218 1 573 . 1 1 118 118 VAL CA C 13 62.5 0.2 . 1 . . . . . . . . 5218 1 574 . 1 1 118 118 VAL C C 13 176.4 0.2 . 1 . . . . . . . . 5218 1 575 . 1 1 119 119 GLY N N 15 109.6 0.1 . 1 . . . . . . . . 5218 1 576 . 1 1 119 119 GLY H H 1 8.48 0.02 . 1 . . . . . . . . 5218 1 577 . 1 1 119 119 GLY CA C 13 44.7 0.2 . 1 . . . . . . . . 5218 1 578 . 1 1 119 119 GLY C C 13 175.0 0.2 . 1 . . . . . . . . 5218 1 579 . 1 1 120 120 VAL N N 15 115.9 0.1 . 1 . . . . . . . . 5218 1 580 . 1 1 120 120 VAL H H 1 8.19 0.02 . 1 . . . . . . . . 5218 1 581 . 1 1 120 120 VAL CA C 13 64.6 0.2 . 1 . . . . . . . . 5218 1 582 . 1 1 120 120 VAL C C 13 176.5 0.2 . 1 . . . . . . . . 5218 1 583 . 1 1 121 121 SER N N 15 117.5 0.1 . 1 . . . . . . . . 5218 1 584 . 1 1 121 121 SER H H 1 8.44 0.02 . 1 . . . . . . . . 5218 1 585 . 1 1 121 121 SER CA C 13 60.3 0.2 . 1 . . . . . . . . 5218 1 586 . 1 1 121 121 SER CB C 13 61.8 0.2 . 1 . . . . . . . . 5218 1 587 . 1 1 121 121 SER C C 13 176.9 0.2 . 1 . . . . . . . . 5218 1 588 . 1 1 122 122 VAL N N 15 122.7 0.1 . 1 . . . . . . . . 5218 1 589 . 1 1 122 122 VAL H H 1 6.95 0.02 . 1 . . . . . . . . 5218 1 590 . 1 1 122 122 VAL C C 13 176.2 0.2 . 1 . . . . . . . . 5218 1 591 . 1 1 123 123 VAL N N 15 117.8 0.1 . 1 . . . . . . . . 5218 1 592 . 1 1 123 123 VAL H H 1 6.62 0.02 . 1 . . . . . . . . 5218 1 593 . 1 1 123 123 VAL C C 13 179.0 0.2 . 1 . . . . . . . . 5218 1 594 . 1 1 124 124 ASN N N 15 117.3 0.1 . 1 . . . . . . . . 5218 1 595 . 1 1 124 124 ASN H H 1 7.99 0.02 . 1 . . . . . . . . 5218 1 596 . 1 1 124 124 ASN CA C 13 55.2 0.2 . 1 . . . . . . . . 5218 1 597 . 1 1 124 124 ASN CB C 13 37.8 0.2 . 1 . . . . . . . . 5218 1 598 . 1 1 124 124 ASN C C 13 176.5 0.2 . 1 . . . . . . . . 5218 1 599 . 1 1 125 125 ALA N N 15 117.0 0.1 . 1 . . . . . . . . 5218 1 600 . 1 1 125 125 ALA H H 1 7.88 0.02 . 1 . . . . . . . . 5218 1 601 . 1 1 125 125 ALA CA C 13 54.6 0.2 . 1 . . . . . . . . 5218 1 602 . 1 1 125 125 ALA HA H 1 3.55 0.02 . 1 . . . . . . . . 5218 1 603 . 1 1 125 125 ALA CB C 13 18.2 0.2 . 1 . . . . . . . . 5218 1 604 . 1 1 125 125 ALA C C 13 177.7 0.2 . 1 . . . . . . . . 5218 1 605 . 1 1 126 126 LEU N N 15 112.0 0.1 . 1 . . . . . . . . 5218 1 606 . 1 1 126 126 LEU H H 1 7.09 0.02 . 1 . . . . . . . . 5218 1 607 . 1 1 126 126 LEU CA C 13 53.4 0.2 . 1 . . . . . . . . 5218 1 608 . 1 1 126 126 LEU HA H 1 4.73 0.02 . 1 . . . . . . . . 5218 1 609 . 1 1 126 126 LEU CB C 13 40.4 0.2 . 1 . . . . . . . . 5218 1 610 . 1 1 126 126 LEU C C 13 174.8 0.2 . 1 . . . . . . . . 5218 1 611 . 1 1 127 127 SER N N 15 116.9 0.1 . 1 . . . . . . . . 5218 1 612 . 1 1 127 127 SER H H 1 7.67 0.02 . 1 . . . . . . . . 5218 1 613 . 1 1 127 127 SER CA C 13 59.3 0.2 . 1 . . . . . . . . 5218 1 614 . 1 1 127 127 SER HA H 1 4.95 0.02 . 1 . . . . . . . . 5218 1 615 . 1 1 127 127 SER CB C 13 63.4 0.2 . 1 . . . . . . . . 5218 1 616 . 1 1 127 127 SER C C 13 174.8 0.2 . 1 . . . . . . . . 5218 1 617 . 1 1 128 128 GLN N N 15 124.9 0.1 . 1 . . . . . . . . 5218 1 618 . 1 1 128 128 GLN H H 1 8.54 0.02 . 1 . . . . . . . . 5218 1 619 . 1 1 128 128 GLN CA C 13 56.9 0.2 . 1 . . . . . . . . 5218 1 620 . 1 1 128 128 GLN CB C 13 27.9 0.2 . 1 . . . . . . . . 5218 1 621 . 1 1 128 128 GLN C C 13 175.1 0.2 . 1 . . . . . . . . 5218 1 622 . 1 1 129 129 LYS N N 15 117.2 0.1 . 1 . . . . . . . . 5218 1 623 . 1 1 129 129 LYS H H 1 7.65 0.02 . 1 . . . . . . . . 5218 1 624 . 1 1 129 129 LYS CA C 13 55.2 0.2 . 1 . . . . . . . . 5218 1 625 . 1 1 129 129 LYS HA H 1 5.22 0.02 . 1 . . . . . . . . 5218 1 626 . 1 1 129 129 LYS CB C 13 34.8 0.2 . 1 . . . . . . . . 5218 1 627 . 1 1 129 129 LYS C C 13 173.3 0.2 . 1 . . . . . . . . 5218 1 628 . 1 1 130 130 LEU N N 15 129.0 0.1 . 1 . . . . . . . . 5218 1 629 . 1 1 130 130 LEU H H 1 8.98 0.02 . 1 . . . . . . . . 5218 1 630 . 1 1 130 130 LEU CA C 13 56.2 0.2 . 1 . . . . . . . . 5218 1 631 . 1 1 130 130 LEU HA H 1 5.58 0.02 . 1 . . . . . . . . 5218 1 632 . 1 1 130 130 LEU CB C 13 44.4 0.2 . 1 . . . . . . . . 5218 1 633 . 1 1 130 130 LEU C C 13 173.6 0.2 . 1 . . . . . . . . 5218 1 634 . 1 1 131 131 GLU N N 15 128.8 0.1 . 1 . . . . . . . . 5218 1 635 . 1 1 131 131 GLU H H 1 10.37 0.02 . 1 . . . . . . . . 5218 1 636 . 1 1 131 131 GLU CA C 13 54.9 0.2 . 1 . . . . . . . . 5218 1 637 . 1 1 131 131 GLU HA H 1 5.45 0.02 . 1 . . . . . . . . 5218 1 638 . 1 1 131 131 GLU CB C 13 33.2 0.2 . 1 . . . . . . . . 5218 1 639 . 1 1 131 131 GLU C C 13 172.2 0.2 . 1 . . . . . . . . 5218 1 640 . 1 1 132 132 LEU N N 15 129.9 0.1 . 1 . . . . . . . . 5218 1 641 . 1 1 132 132 LEU H H 1 8.39 0.02 . 1 . . . . . . . . 5218 1 642 . 1 1 132 132 LEU CA C 13 52.9 0.2 . 1 . . . . . . . . 5218 1 643 . 1 1 132 132 LEU HA H 1 5.35 0.02 . 1 . . . . . . . . 5218 1 644 . 1 1 132 132 LEU CB C 13 45.4 0.2 . 1 . . . . . . . . 5218 1 645 . 1 1 132 132 LEU C C 13 174.6 0.2 . 1 . . . . . . . . 5218 1 646 . 1 1 133 133 VAL N N 15 125.2 0.1 . 1 . . . . . . . . 5218 1 647 . 1 1 133 133 VAL H H 1 9.35 0.02 . 1 . . . . . . . . 5218 1 648 . 1 1 133 133 VAL CA C 13 60.9 0.2 . 1 . . . . . . . . 5218 1 649 . 1 1 133 133 VAL HA H 1 5.31 0.02 . 1 . . . . . . . . 5218 1 650 . 1 1 133 133 VAL CB C 13 34.3 0.2 . 1 . . . . . . . . 5218 1 651 . 1 1 135 135 GLN HA H 1 5.33 0.02 . 1 . . . . . . . . 5218 1 652 . 1 1 135 135 GLN CB C 13 29.8 0.2 . 1 . . . . . . . . 5218 1 653 . 1 1 135 135 GLN C C 13 173.9 0.2 . 1 . . . . . . . . 5218 1 654 . 1 1 136 136 ARG N N 15 119.6 0.1 . 1 . . . . . . . . 5218 1 655 . 1 1 136 136 ARG H H 1 8.92 0.02 . 1 . . . . . . . . 5218 1 656 . 1 1 136 136 ARG CA C 13 57.0 0.2 . 1 . . . . . . . . 5218 1 657 . 1 1 136 136 ARG HA H 1 4.5 0.02 . 1 . . . . . . . . 5218 1 658 . 1 1 136 136 ARG CB C 13 31.9 0.2 . 1 . . . . . . . . 5218 1 659 . 1 1 136 136 ARG C C 13 175.6 0.2 . 1 . . . . . . . . 5218 1 660 . 1 1 137 137 GLU N N 15 122.3 0.1 . 1 . . . . . . . . 5218 1 661 . 1 1 137 137 GLU H H 1 9.71 0.02 . 1 . . . . . . . . 5218 1 662 . 1 1 137 137 GLU CA C 13 57.0 0.2 . 1 . . . . . . . . 5218 1 663 . 1 1 137 137 GLU HA H 1 3.87 0.02 . 1 . . . . . . . . 5218 1 664 . 1 1 137 137 GLU CB C 13 27.0 0.2 . 1 . . . . . . . . 5218 1 665 . 1 1 137 137 GLU C C 13 175.8 0.2 . 1 . . . . . . . . 5218 1 666 . 1 1 138 138 GLY N N 15 104.3 0.1 . 1 . . . . . . . . 5218 1 667 . 1 1 138 138 GLY H H 1 8.68 0.02 . 1 . . . . . . . . 5218 1 668 . 1 1 138 138 GLY CA C 13 45.0 0.2 . 1 . . . . . . . . 5218 1 669 . 1 1 138 138 GLY C C 13 175.8 0.2 . 1 . . . . . . . . 5218 1 670 . 1 1 139 139 LYS N N 15 120.6 0.1 . 1 . . . . . . . . 5218 1 671 . 1 1 139 139 LYS H H 1 8.00 0.02 . 1 . . . . . . . . 5218 1 672 . 1 1 139 139 LYS CA C 13 53.7 0.2 . 1 . . . . . . . . 5218 1 673 . 1 1 139 139 LYS HA H 1 5.12 0.02 . 1 . . . . . . . . 5218 1 674 . 1 1 139 139 LYS CB C 13 35.7 0.2 . 1 . . . . . . . . 5218 1 675 . 1 1 139 139 LYS C C 13 173.7 0.2 . 1 . . . . . . . . 5218 1 676 . 1 1 140 140 ILE N N 15 120.6 0.1 . 1 . . . . . . . . 5218 1 677 . 1 1 140 140 ILE H H 1 7.92 0.02 . 1 . . . . . . . . 5218 1 678 . 1 1 140 140 ILE CA C 13 60.8 0.2 . 1 . . . . . . . . 5218 1 679 . 1 1 140 140 ILE HA H 1 4.44 0.02 . 1 . . . . . . . . 5218 1 680 . 1 1 140 140 ILE CB C 13 38.2 0.2 . 1 . . . . . . . . 5218 1 681 . 1 1 141 141 HIS HA H 1 5.66 0.02 . 1 . . . . . . . . 5218 1 682 . 1 1 141 141 HIS CB C 13 32.2 0.2 . 1 . . . . . . . . 5218 1 683 . 1 1 141 141 HIS C C 13 174.8 0.2 . 1 . . . . . . . . 5218 1 684 . 1 1 142 142 ARG N N 15 121.9 0.1 . 1 . . . . . . . . 5218 1 685 . 1 1 142 142 ARG H H 1 9.32 0.02 . 1 . . . . . . . . 5218 1 686 . 1 1 142 142 ARG CA C 13 54.4 0.2 . 1 . . . . . . . . 5218 1 687 . 1 1 142 142 ARG HA H 1 5.95 0.02 . 1 . . . . . . . . 5218 1 688 . 1 1 142 142 ARG CB C 13 34.9 0.2 . 1 . . . . . . . . 5218 1 689 . 1 1 142 142 ARG C C 13 176.0 0.2 . 1 . . . . . . . . 5218 1 690 . 1 1 143 143 GLN N N 15 128.1 0.1 . 1 . . . . . . . . 5218 1 691 . 1 1 143 143 GLN H H 1 9.38 0.02 . 1 . . . . . . . . 5218 1 692 . 1 1 143 143 GLN CA C 13 55.8 0.2 . 1 . . . . . . . . 5218 1 693 . 1 1 143 143 GLN HA H 1 4.42 0.02 . 1 . . . . . . . . 5218 1 694 . 1 1 143 143 GLN CB C 13 33.1 0.2 . 1 . . . . . . . . 5218 1 695 . 1 1 143 143 GLN C C 13 171.7 0.2 . 1 . . . . . . . . 5218 1 696 . 1 1 144 144 ILE N N 15 125.3 0.1 . 1 . . . . . . . . 5218 1 697 . 1 1 144 144 ILE H H 1 8.84 0.02 . 1 . . . . . . . . 5218 1 698 . 1 1 144 144 ILE CA C 13 58.3 0.2 . 1 . . . . . . . . 5218 1 699 . 1 1 144 144 ILE HA H 1 5.20 0.02 . 1 . . . . . . . . 5218 1 700 . 1 1 144 144 ILE CB C 13 39.0 0.2 . 1 . . . . . . . . 5218 1 701 . 1 1 144 144 ILE C C 13 173.9 0.2 . 1 . . . . . . . . 5218 1 702 . 1 1 145 145 TYR N N 15 124.7 0.1 . 1 . . . . . . . . 5218 1 703 . 1 1 145 145 TYR H H 1 9.55 0.02 . 1 . . . . . . . . 5218 1 704 . 1 1 145 145 TYR CA C 13 55.3 0.2 . 1 . . . . . . . . 5218 1 705 . 1 1 145 145 TYR HA H 1 5.07 0.02 . 1 . . . . . . . . 5218 1 706 . 1 1 145 145 TYR CB C 13 42.6 0.2 . 1 . . . . . . . . 5218 1 707 . 1 1 145 145 TYR C C 13 175.1 0.2 . 1 . . . . . . . . 5218 1 708 . 1 1 146 146 GLU N N 15 116.3 0.1 . 1 . . . . . . . . 5218 1 709 . 1 1 146 146 GLU H H 1 8.26 0.02 . 1 . . . . . . . . 5218 1 710 . 1 1 146 146 GLU CA C 13 55.7 0.2 . 1 . . . . . . . . 5218 1 711 . 1 1 146 146 GLU HA H 1 4.75 0.02 . 1 . . . . . . . . 5218 1 712 . 1 1 146 146 GLU CB C 13 32.4 0.2 . 1 . . . . . . . . 5218 1 713 . 1 1 146 146 GLU C C 13 177.0 0.2 . 1 . . . . . . . . 5218 1 714 . 1 1 147 147 HIS N N 15 125.5 0.1 . 1 . . . . . . . . 5218 1 715 . 1 1 147 147 HIS H H 1 7.83 0.02 . 1 . . . . . . . . 5218 1 716 . 1 1 147 147 HIS CA C 13 57.7 0.2 . 1 . . . . . . . . 5218 1 717 . 1 1 147 147 HIS HA H 1 4.30 0.02 . 1 . . . . . . . . 5218 1 718 . 1 1 147 147 HIS CB C 13 28.0 0.2 . 1 . . . . . . . . 5218 1 719 . 1 1 147 147 HIS C C 13 175.5 0.2 . 1 . . . . . . . . 5218 1 720 . 1 1 148 148 GLY N N 15 105.3 0.1 . 1 . . . . . . . . 5218 1 721 . 1 1 148 148 GLY H H 1 9.31 0.02 . 1 . . . . . . . . 5218 1 722 . 1 1 148 148 GLY CA C 13 44.4 0.2 . 1 . . . . . . . . 5218 1 723 . 1 1 148 148 GLY HA3 H 1 3.87 0.02 . 2 . . . . . . . . 5218 1 724 . 1 1 148 148 GLY C C 13 172.9 0.2 . 1 . . . . . . . . 5218 1 725 . 1 1 149 149 VAL N N 15 122.1 0.1 . 1 . . . . . . . . 5218 1 726 . 1 1 149 149 VAL H H 1 8.02 0.02 . 1 . . . . . . . . 5218 1 727 . 1 1 149 149 VAL CA C 13 59.0 0.2 . 1 . . . . . . . . 5218 1 728 . 1 1 149 149 VAL HA H 1 4.57 0.02 . 1 . . . . . . . . 5218 1 729 . 1 1 149 149 VAL CB C 13 32.9 0.2 . 1 . . . . . . . . 5218 1 730 . 1 1 149 149 VAL C C 13 175.8 0.2 . 1 . . . . . . . . 5218 1 731 . 1 1 150 150 PRO CA C 13 62.1 0.2 . 1 . . . . . . . . 5218 1 732 . 1 1 150 150 PRO HA H 1 5.03 0.02 . 1 . . . . . . . . 5218 1 733 . 1 1 150 150 PRO CB C 13 30.8 0.2 . 1 . . . . . . . . 5218 1 734 . 1 1 150 150 PRO C C 13 177.4 0.2 . 1 . . . . . . . . 5218 1 735 . 1 1 151 151 GLN N N 15 122.2 0.1 . 1 . . . . . . . . 5218 1 736 . 1 1 151 151 GLN H H 1 9.24 0.02 . 1 . . . . . . . . 5218 1 737 . 1 1 151 151 GLN CA C 13 56.5 0.2 . 1 . . . . . . . . 5218 1 738 . 1 1 151 151 GLN HA H 1 4.04 0.02 . 1 . . . . . . . . 5218 1 739 . 1 1 151 151 GLN CB C 13 28.8 0.2 . 1 . . . . . . . . 5218 1 740 . 1 1 151 151 GLN C C 13 175.3 0.2 . 1 . . . . . . . . 5218 1 741 . 1 1 152 152 ALA N N 15 119.2 0.1 . 1 . . . . . . . . 5218 1 742 . 1 1 152 152 ALA H H 1 7.72 0.02 . 1 . . . . . . . . 5218 1 743 . 1 1 152 152 ALA CA C 13 50.1 0.2 . 1 . . . . . . . . 5218 1 744 . 1 1 152 152 ALA HA H 1 4.50 0.02 . 1 . . . . . . . . 5218 1 745 . 1 1 152 152 ALA CB C 13 18.5 0.2 . 1 . . . . . . . . 5218 1 746 . 1 1 152 152 ALA C C 13 173.9 0.2 . 1 . . . . . . . . 5218 1 747 . 1 1 153 153 PRO CA C 13 62.4 0.2 . 1 . . . . . . . . 5218 1 748 . 1 1 153 153 PRO HA H 1 4.52 0.02 . 1 . . . . . . . . 5218 1 749 . 1 1 153 153 PRO C C 13 176.4 0.2 . 1 . . . . . . . . 5218 1 750 . 1 1 154 154 LEU N N 15 125.8 0.1 . 1 . . . . . . . . 5218 1 751 . 1 1 154 154 LEU H H 1 8.54 0.02 . 1 . . . . . . . . 5218 1 752 . 1 1 154 154 LEU CA C 13 57.0 0.2 . 1 . . . . . . . . 5218 1 753 . 1 1 154 154 LEU HA H 1 3.91 0.02 . 1 . . . . . . . . 5218 1 754 . 1 1 154 154 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 5218 1 755 . 1 1 154 154 LEU C C 13 175.6 0.2 . 1 . . . . . . . . 5218 1 756 . 1 1 155 155 ALA N N 15 129.8 0.1 . 1 . . . . . . . . 5218 1 757 . 1 1 155 155 ALA H H 1 8.10 0.02 . 1 . . . . . . . . 5218 1 758 . 1 1 155 155 ALA CA C 13 50.5 0.2 . 1 . . . . . . . . 5218 1 759 . 1 1 155 155 ALA HA H 1 4.98 0.02 . 1 . . . . . . . . 5218 1 760 . 1 1 155 155 ALA CB C 13 22.1 0.2 . 1 . . . . . . . . 5218 1 761 . 1 1 155 155 ALA C C 13 176.2 0.2 . 1 . . . . . . . . 5218 1 762 . 1 1 156 156 VAL N N 15 121.6 0.1 . 1 . . . . . . . . 5218 1 763 . 1 1 156 156 VAL H H 1 8.55 0.02 . 1 . . . . . . . . 5218 1 764 . 1 1 156 156 VAL CA C 13 62.0 0.2 . 1 . . . . . . . . 5218 1 765 . 1 1 156 156 VAL HA H 1 4.59 0.02 . 1 . . . . . . . . 5218 1 766 . 1 1 156 156 VAL CB C 13 31.6 0.2 . 1 . . . . . . . . 5218 1 767 . 1 1 156 156 VAL C C 13 178.4 0.2 . 1 . . . . . . . . 5218 1 768 . 1 1 157 157 THR N N 15 117.9 0.1 . 1 . . . . . . . . 5218 1 769 . 1 1 157 157 THR H H 1 9.17 0.02 . 1 . . . . . . . . 5218 1 770 . 1 1 157 157 THR CA C 13 61.0 0.2 . 1 . . . . . . . . 5218 1 771 . 1 1 157 157 THR HA H 1 4.58 0.02 . 1 . . . . . . . . 5218 1 772 . 1 1 157 157 THR CB C 13 68.8 0.2 . 1 . . . . . . . . 5218 1 773 . 1 1 157 157 THR C C 13 174.8 0.2 . 1 . . . . . . . . 5218 1 774 . 1 1 158 158 GLY N N 15 108.7 0.1 . 1 . . . . . . . . 5218 1 775 . 1 1 158 158 GLY H H 1 7.36 0.02 . 1 . . . . . . . . 5218 1 776 . 1 1 158 158 GLY CA C 13 44.9 0.2 . 1 . . . . . . . . 5218 1 777 . 1 1 158 158 GLY HA2 H 1 4.16 0.02 . 2 . . . . . . . . 5218 1 778 . 1 1 158 158 GLY HA3 H 1 4.12 0.02 . 2 . . . . . . . . 5218 1 779 . 1 1 158 158 GLY C C 13 171.2 0.2 . 1 . . . . . . . . 5218 1 780 . 1 1 159 159 GLU N N 15 119.2 0.1 . 1 . . . . . . . . 5218 1 781 . 1 1 159 159 GLU H H 1 8.49 0.02 . 1 . . . . . . . . 5218 1 782 . 1 1 159 159 GLU CA C 13 54.9 0.2 . 1 . . . . . . . . 5218 1 783 . 1 1 159 159 GLU HA H 1 5.12 0.02 . 1 . . . . . . . . 5218 1 784 . 1 1 159 159 GLU CB C 13 32.2 0.2 . 1 . . . . . . . . 5218 1 785 . 1 1 159 159 GLU C C 13 174.7 0.2 . 1 . . . . . . . . 5218 1 786 . 1 1 160 160 THR N N 15 113.6 0.1 . 1 . . . . . . . . 5218 1 787 . 1 1 160 160 THR H H 1 7.71 0.02 . 1 . . . . . . . . 5218 1 788 . 1 1 160 160 THR CA C 13 59.4 0.2 . 1 . . . . . . . . 5218 1 789 . 1 1 160 160 THR HA H 1 4.62 0.02 . 1 . . . . . . . . 5218 1 790 . 1 1 160 160 THR CB C 13 68.5 0.2 . 1 . . . . . . . . 5218 1 791 . 1 1 160 160 THR C C 13 171.2 0.2 . 1 . . . . . . . . 5218 1 792 . 1 1 161 161 GLU N N 15 123.7 0.1 . 1 . . . . . . . . 5218 1 793 . 1 1 161 161 GLU H H 1 8.62 0.02 . 1 . . . . . . . . 5218 1 794 . 1 1 161 161 GLU CA C 13 55.2 0.2 . 1 . . . . . . . . 5218 1 795 . 1 1 161 161 GLU HA H 1 4.63 0.02 . 1 . . . . . . . . 5218 1 796 . 1 1 161 161 GLU CB C 13 29.9 0.2 . 1 . . . . . . . . 5218 1 797 . 1 1 161 161 GLU C C 13 176.3 0.2 . 1 . . . . . . . . 5218 1 798 . 1 1 162 162 LYS N N 15 122.5 0.1 . 1 . . . . . . . . 5218 1 799 . 1 1 162 162 LYS H H 1 8.38 0.02 . 1 . . . . . . . . 5218 1 800 . 1 1 162 162 LYS CA C 13 54.4 0.2 . 1 . . . . . . . . 5218 1 801 . 1 1 162 162 LYS HA H 1 4.54 0.02 . 1 . . . . . . . . 5218 1 802 . 1 1 162 162 LYS CB C 13 33.3 0.2 . 1 . . . . . . . . 5218 1 803 . 1 1 162 162 LYS C C 13 174.7 0.2 . 1 . . . . . . . . 5218 1 804 . 1 1 163 163 THR N N 15 106.9 0.1 . 1 . . . . . . . . 5218 1 805 . 1 1 163 163 THR H H 1 7.71 0.02 . 1 . . . . . . . . 5218 1 806 . 1 1 163 163 THR CA C 13 59.4 0.2 . 1 . . . . . . . . 5218 1 807 . 1 1 163 163 THR HA H 1 4.87 0.02 . 1 . . . . . . . . 5218 1 808 . 1 1 163 163 THR CB C 13 71.6 0.2 . 1 . . . . . . . . 5218 1 809 . 1 1 163 163 THR C C 13 174.0 0.2 . 1 . . . . . . . . 5218 1 810 . 1 1 164 164 GLY N N 15 108.8 0.1 . 1 . . . . . . . . 5218 1 811 . 1 1 164 164 GLY H H 1 8.58 0.02 . 1 . . . . . . . . 5218 1 812 . 1 1 164 164 GLY CA C 13 44.5 0.2 . 1 . . . . . . . . 5218 1 813 . 1 1 164 164 GLY HA2 H 1 4.3 0.02 . 2 . . . . . . . . 5218 1 814 . 1 1 164 164 GLY C C 13 173.1 0.2 . 1 . . . . . . . . 5218 1 815 . 1 1 165 165 THR N N 15 116.5 0.1 . 1 . . . . . . . . 5218 1 816 . 1 1 165 165 THR H H 1 7.69 0.02 . 1 . . . . . . . . 5218 1 817 . 1 1 165 165 THR CA C 13 62.9 0.2 . 1 . . . . . . . . 5218 1 818 . 1 1 165 165 THR HA H 1 4.95 0.02 . 1 . . . . . . . . 5218 1 819 . 1 1 165 165 THR CB C 13 70.3 0.2 . 1 . . . . . . . . 5218 1 820 . 1 1 165 165 THR C C 13 172.2 0.2 . 1 . . . . . . . . 5218 1 821 . 1 1 166 166 MET N N 15 128.9 0.1 . 1 . . . . . . . . 5218 1 822 . 1 1 166 166 MET H H 1 9.36 0.02 . 1 . . . . . . . . 5218 1 823 . 1 1 166 166 MET CA C 13 54.7 0.2 . 1 . . . . . . . . 5218 1 824 . 1 1 166 166 MET HA H 1 5.45 0.02 . 1 . . . . . . . . 5218 1 825 . 1 1 166 166 MET CB C 13 33.8 0.2 . 1 . . . . . . . . 5218 1 826 . 1 1 166 166 MET C C 13 173.9 0.2 . 1 . . . . . . . . 5218 1 827 . 1 1 167 167 VAL N N 15 125.4 0.1 . 1 . . . . . . . . 5218 1 828 . 1 1 167 167 VAL H H 1 8.40 0.02 . 1 . . . . . . . . 5218 1 829 . 1 1 167 167 VAL CA C 13 60.7 0.2 . 1 . . . . . . . . 5218 1 830 . 1 1 167 167 VAL HA H 1 4.95 0.02 . 1 . . . . . . . . 5218 1 831 . 1 1 167 167 VAL CB C 13 34.3 0.2 . 1 . . . . . . . . 5218 1 832 . 1 1 167 167 VAL C C 13 174.3 0.2 . 1 . . . . . . . . 5218 1 833 . 1 1 168 168 ARG N N 15 129.6 0.1 . 1 . . . . . . . . 5218 1 834 . 1 1 168 168 ARG H H 1 9.39 0.02 . 1 . . . . . . . . 5218 1 835 . 1 1 168 168 ARG CA C 13 53.4 0.2 . 1 . . . . . . . . 5218 1 836 . 1 1 168 168 ARG HA H 1 5.47 0.02 . 1 . . . . . . . . 5218 1 837 . 1 1 168 168 ARG CB C 13 32.1 0.2 . 1 . . . . . . . . 5218 1 838 . 1 1 168 168 ARG C C 13 173.4 0.2 . 1 . . . . . . . . 5218 1 839 . 1 1 169 169 PHE N N 15 122.0 0.1 . 1 . . . . . . . . 5218 1 840 . 1 1 169 169 PHE H H 1 8.62 0.02 . 1 . . . . . . . . 5218 1 841 . 1 1 169 169 PHE CA C 13 55.4 0.2 . 1 . . . . . . . . 5218 1 842 . 1 1 169 169 PHE HA H 1 5.82 0.02 . 1 . . . . . . . . 5218 1 843 . 1 1 169 169 PHE CB C 13 42.0 0.2 . 1 . . . . . . . . 5218 1 844 . 1 1 169 169 PHE C C 13 170.8 0.2 . 1 . . . . . . . . 5218 1 845 . 1 1 170 170 TRP N N 15 123.9 0.1 . 1 . . . . . . . . 5218 1 846 . 1 1 170 170 TRP H H 1 9.05 0.02 . 1 . . . . . . . . 5218 1 847 . 1 1 170 170 TRP CA C 13 55.0 0.2 . 1 . . . . . . . . 5218 1 848 . 1 1 170 170 TRP CB C 13 31.4 0.2 . 1 . . . . . . . . 5218 1 849 . 1 1 170 170 TRP HB2 H 1 3.36 0.02 . 2 . . . . . . . . 5218 1 850 . 1 1 170 170 TRP HE3 H 1 7.73 0.02 . 1 . . . . . . . . 5218 1 851 . 1 1 170 170 TRP C C 13 174.3 0.2 . 1 . . . . . . . . 5218 1 852 . 1 1 171 171 PRO CA C 13 62.8 0.2 . 1 . . . . . . . . 5218 1 853 . 1 1 171 171 PRO HA H 1 4.56 0.02 . 1 . . . . . . . . 5218 1 854 . 1 1 171 171 PRO CB C 13 32.5 0.2 . 1 . . . . . . . . 5218 1 855 . 1 1 171 171 PRO C C 13 175.6 0.2 . 1 . . . . . . . . 5218 1 856 . 1 1 172 172 SER N N 15 113.7 0.1 . 1 . . . . . . . . 5218 1 857 . 1 1 172 172 SER H H 1 9.25 0.02 . 1 . . . . . . . . 5218 1 858 . 1 1 172 172 SER CA C 13 57.9 0.2 . 1 . . . . . . . . 5218 1 859 . 1 1 172 172 SER HA H 1 4.75 0.02 . 1 . . . . . . . . 5218 1 860 . 1 1 172 172 SER CB C 13 63.4 0.2 . 1 . . . . . . . . 5218 1 861 . 1 1 172 172 SER C C 13 176.9 0.2 . 1 . . . . . . . . 5218 1 862 . 1 1 173 173 LEU N N 15 132.0 0.1 . 1 . . . . . . . . 5218 1 863 . 1 1 173 173 LEU H H 1 9.25 0.02 . 1 . . . . . . . . 5218 1 864 . 1 1 173 173 LEU CA C 13 55.5 0.2 . 1 . . . . . . . . 5218 1 865 . 1 1 173 173 LEU HA H 1 4.84 0.02 . 1 . . . . . . . . 5218 1 866 . 1 1 173 173 LEU CB C 13 39.0 0.2 . 1 . . . . . . . . 5218 1 867 . 1 1 173 173 LEU C C 13 177.4 0.2 . 1 . . . . . . . . 5218 1 868 . 1 1 174 174 GLU N N 15 116.0 0.1 . 1 . . . . . . . . 5218 1 869 . 1 1 174 174 GLU H H 1 7.99 0.02 . 1 . . . . . . . . 5218 1 870 . 1 1 174 174 GLU CA C 13 57.0 0.2 . 1 . . . . . . . . 5218 1 871 . 1 1 174 174 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 5218 1 872 . 1 1 174 174 GLU CB C 13 29.4 0.2 . 1 . . . . . . . . 5218 1 873 . 1 1 174 174 GLU C C 13 177.1 0.2 . 1 . . . . . . . . 5218 1 874 . 1 1 175 175 THR N N 15 115.4 0.1 . 1 . . . . . . . . 5218 1 875 . 1 1 175 175 THR H H 1 7.27 0.02 . 1 . . . . . . . . 5218 1 876 . 1 1 175 175 THR CA C 13 65.2 0.2 . 1 . . . . . . . . 5218 1 877 . 1 1 175 175 THR HA H 1 3.96 0.02 . 1 . . . . . . . . 5218 1 878 . 1 1 175 175 THR CB C 13 70.4 0.2 . 1 . . . . . . . . 5218 1 879 . 1 1 175 175 THR HB H 1 3.71 0.02 . 1 . . . . . . . . 5218 1 880 . 1 1 175 175 THR C C 13 172.9 0.2 . 1 . . . . . . . . 5218 1 881 . 1 1 176 176 PHE N N 15 118.8 0.1 . 1 . . . . . . . . 5218 1 882 . 1 1 176 176 PHE H H 1 7.89 0.02 . 1 . . . . . . . . 5218 1 883 . 1 1 176 176 PHE CA C 13 58.5 0.2 . 1 . . . . . . . . 5218 1 884 . 1 1 176 176 PHE HA H 1 5.00 0.02 . 1 . . . . . . . . 5218 1 885 . 1 1 176 176 PHE CB C 13 38.8 0.2 . 1 . . . . . . . . 5218 1 886 . 1 1 176 176 PHE C C 13 174.0 0.2 . 1 . . . . . . . . 5218 1 887 . 1 1 177 177 THR N N 15 110.7 0.1 . 1 . . . . . . . . 5218 1 888 . 1 1 177 177 THR H H 1 8.51 0.02 . 1 . . . . . . . . 5218 1 889 . 1 1 177 177 THR CA C 13 59.2 0.2 . 1 . . . . . . . . 5218 1 890 . 1 1 177 177 THR HA H 1 4.42 0.02 . 1 . . . . . . . . 5218 1 891 . 1 1 177 177 THR CB C 13 71.7 0.2 . 1 . . . . . . . . 5218 1 892 . 1 1 177 177 THR HB H 1 3.75 0.02 . 1 . . . . . . . . 5218 1 893 . 1 1 177 177 THR C C 13 175.4 0.2 . 1 . . . . . . . . 5218 1 894 . 1 1 178 178 ASN N N 15 111.7 0.1 . 1 . . . . . . . . 5218 1 895 . 1 1 178 178 ASN H H 1 8.89 0.02 . 1 . . . . . . . . 5218 1 896 . 1 1 178 178 ASN CA C 13 58.2 0.2 . 1 . . . . . . . . 5218 1 897 . 1 1 178 178 ASN HA H 1 4.12 0.02 . 1 . . . . . . . . 5218 1 898 . 1 1 178 178 ASN CB C 13 36.9 0.2 . 1 . . . . . . . . 5218 1 899 . 1 1 178 178 ASN HB3 H 1 3.75 0.02 . 2 . . . . . . . . 5218 1 900 . 1 1 178 178 ASN C C 13 175.0 0.2 . 1 . . . . . . . . 5218 1 901 . 1 1 179 179 VAL N N 15 127.0 0.1 . 1 . . . . . . . . 5218 1 902 . 1 1 179 179 VAL H H 1 8.65 0.02 . 1 . . . . . . . . 5218 1 903 . 1 1 179 179 VAL CA C 13 62.0 0.2 . 1 . . . . . . . . 5218 1 904 . 1 1 179 179 VAL HA H 1 4.17 0.02 . 1 . . . . . . . . 5218 1 905 . 1 1 179 179 VAL CB C 13 31.0 0.2 . 1 . . . . . . . . 5218 1 906 . 1 1 179 179 VAL C C 13 175.4 0.2 . 1 . . . . . . . . 5218 1 907 . 1 1 180 180 THR N N 15 115.1 0.1 . 1 . . . . . . . . 5218 1 908 . 1 1 180 180 THR H H 1 8.29 0.02 . 1 . . . . . . . . 5218 1 909 . 1 1 180 180 THR CA C 13 60.6 0.2 . 1 . . . . . . . . 5218 1 910 . 1 1 180 180 THR HA H 1 4.14 0.02 . 1 . . . . . . . . 5218 1 911 . 1 1 180 180 THR CB C 13 68.7 0.2 . 1 . . . . . . . . 5218 1 912 . 1 1 180 180 THR C C 13 172.0 0.2 . 1 . . . . . . . . 5218 1 913 . 1 1 181 181 GLU N N 15 118.4 0.1 . 1 . . . . . . . . 5218 1 914 . 1 1 181 181 GLU H H 1 7.03 0.02 . 1 . . . . . . . . 5218 1 915 . 1 1 181 181 GLU CA C 13 53.4 0.2 . 1 . . . . . . . . 5218 1 916 . 1 1 181 181 GLU HA H 1 4.38 0.02 . 1 . . . . . . . . 5218 1 917 . 1 1 181 181 GLU CB C 13 31.9 0.2 . 1 . . . . . . . . 5218 1 918 . 1 1 181 181 GLU C C 13 175.4 0.2 . 1 . . . . . . . . 5218 1 919 . 1 1 182 182 PHE N N 15 118.8 0.1 . 1 . . . . . . . . 5218 1 920 . 1 1 182 182 PHE H H 1 7.78 0.02 . 1 . . . . . . . . 5218 1 921 . 1 1 182 182 PHE CA C 13 58.7 0.2 . 1 . . . . . . . . 5218 1 922 . 1 1 182 182 PHE HA H 1 4.21 0.02 . 1 . . . . . . . . 5218 1 923 . 1 1 182 182 PHE CB C 13 40.0 0.2 . 1 . . . . . . . . 5218 1 924 . 1 1 182 182 PHE C C 13 176.4 0.2 . 1 . . . . . . . . 5218 1 925 . 1 1 183 183 GLU HA H 1 4.86 0.02 . 1 . . . . . . . . 5218 1 926 . 1 1 183 183 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 5218 1 927 . 1 1 184 184 TYR N N 15 129.0 0.1 . 1 . . . . . . . . 5218 1 928 . 1 1 184 184 TYR H H 1 9.35 0.02 . 1 . . . . . . . . 5218 1 929 . 1 1 184 184 TYR CA C 13 63.1 0.2 . 1 . . . . . . . . 5218 1 930 . 1 1 184 184 TYR HA H 1 3.66 0.02 . 1 . . . . . . . . 5218 1 931 . 1 1 184 184 TYR CB C 13 39.0 0.2 . 1 . . . . . . . . 5218 1 932 . 1 1 184 184 TYR C C 13 177.3 0.2 . 1 . . . . . . . . 5218 1 933 . 1 1 185 185 GLU N N 15 114.5 0.1 . 1 . . . . . . . . 5218 1 934 . 1 1 185 185 GLU H H 1 9.38 0.02 . 1 . . . . . . . . 5218 1 935 . 1 1 185 185 GLU CA C 13 59.2 0.2 . 1 . . . . . . . . 5218 1 936 . 1 1 185 185 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 5218 1 937 . 1 1 185 185 GLU CB C 13 28.9 0.2 . 1 . . . . . . . . 5218 1 938 . 1 1 185 185 GLU C C 13 179.2 0.2 . 1 . . . . . . . . 5218 1 939 . 1 1 186 186 ILE N N 15 117.8 0.1 . 1 . . . . . . . . 5218 1 940 . 1 1 186 186 ILE H H 1 6.90 0.02 . 1 . . . . . . . . 5218 1 941 . 1 1 186 186 ILE CA C 13 64.4 0.2 . 1 . . . . . . . . 5218 1 942 . 1 1 186 186 ILE HA H 1 3.69 0.02 . 1 . . . . . . . . 5218 1 943 . 1 1 186 186 ILE CB C 13 36.8 0.2 . 1 . . . . . . . . 5218 1 944 . 1 1 186 186 ILE C C 13 179.2 0.2 . 1 . . . . . . . . 5218 1 945 . 1 1 187 187 LEU N N 15 116.9 0.1 . 1 . . . . . . . . 5218 1 946 . 1 1 187 187 LEU H H 1 7.22 0.02 . 1 . . . . . . . . 5218 1 947 . 1 1 187 187 LEU CA C 13 57.7 0.2 . 1 . . . . . . . . 5218 1 948 . 1 1 187 187 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 5218 1 949 . 1 1 187 187 LEU CB C 13 40.3 0.2 . 1 . . . . . . . . 5218 1 950 . 1 1 187 187 LEU C C 13 177.8 0.2 . 1 . . . . . . . . 5218 1 951 . 1 1 188 188 ALA N N 15 120.9 0.1 . 1 . . . . . . . . 5218 1 952 . 1 1 188 188 ALA H H 1 9.11 0.02 . 1 . . . . . . . . 5218 1 953 . 1 1 188 188 ALA CA C 13 55.3 0.2 . 1 . . . . . . . . 5218 1 954 . 1 1 188 188 ALA HA H 1 3.63 0.02 . 1 . . . . . . . . 5218 1 955 . 1 1 188 188 ALA CB C 13 17.8 0.2 . 1 . . . . . . . . 5218 1 956 . 1 1 188 188 ALA C C 13 178.7 0.2 . 1 . . . . . . . . 5218 1 957 . 1 1 189 189 LYS N N 15 115.7 0.1 . 1 . . . . . . . . 5218 1 958 . 1 1 189 189 LYS H H 1 7.72 0.02 . 1 . . . . . . . . 5218 1 959 . 1 1 189 189 LYS CA C 13 59.4 0.2 . 1 . . . . . . . . 5218 1 960 . 1 1 189 189 LYS HA H 1 3.73 0.02 . 1 . . . . . . . . 5218 1 961 . 1 1 189 189 LYS CB C 13 32.0 0.2 . 1 . . . . . . . . 5218 1 962 . 1 1 189 189 LYS C C 13 178.9 0.2 . 1 . . . . . . . . 5218 1 963 . 1 1 190 190 ARG N N 15 116.7 0.1 . 1 . . . . . . . . 5218 1 964 . 1 1 190 190 ARG H H 1 6.85 0.02 . 1 . . . . . . . . 5218 1 965 . 1 1 190 190 ARG CA C 13 56.5 0.2 . 1 . . . . . . . . 5218 1 966 . 1 1 190 190 ARG HA H 1 4.06 0.02 . 1 . . . . . . . . 5218 1 967 . 1 1 190 190 ARG CB C 13 29.6 0.2 . 1 . . . . . . . . 5218 1 968 . 1 1 190 190 ARG C C 13 177.9 0.2 . 1 . . . . . . . . 5218 1 969 . 1 1 191 191 LEU N N 15 118.4 0.1 . 1 . . . . . . . . 5218 1 970 . 1 1 191 191 LEU H H 1 8.49 0.02 . 1 . . . . . . . . 5218 1 971 . 1 1 191 191 LEU CA C 13 57.6 0.2 . 1 . . . . . . . . 5218 1 972 . 1 1 191 191 LEU HA H 1 3.89 0.02 . 1 . . . . . . . . 5218 1 973 . 1 1 191 191 LEU CB C 13 39.3 0.2 . 1 . . . . . . . . 5218 1 974 . 1 1 191 191 LEU C C 13 177.8 0.2 . 1 . . . . . . . . 5218 1 975 . 1 1 192 192 ARG N N 15 119.4 0.1 . 1 . . . . . . . . 5218 1 976 . 1 1 192 192 ARG H H 1 7.80 0.02 . 1 . . . . . . . . 5218 1 977 . 1 1 192 192 ARG CA C 13 59.5 0.2 . 1 . . . . . . . . 5218 1 978 . 1 1 192 192 ARG HA H 1 3.11 0.02 . 1 . . . . . . . . 5218 1 979 . 1 1 192 192 ARG CB C 13 28.7 0.2 . 1 . . . . . . . . 5218 1 980 . 1 1 192 192 ARG C C 13 179.3 0.2 . 1 . . . . . . . . 5218 1 981 . 1 1 193 193 GLU N N 15 119.3 0.1 . 1 . . . . . . . . 5218 1 982 . 1 1 193 193 GLU H H 1 7.18 0.02 . 1 . . . . . . . . 5218 1 983 . 1 1 193 193 GLU CA C 13 59.1 0.2 . 1 . . . . . . . . 5218 1 984 . 1 1 193 193 GLU HA H 1 3.94 0.02 . 1 . . . . . . . . 5218 1 985 . 1 1 193 193 GLU CB C 13 28.7 0.2 . 1 . . . . . . . . 5218 1 986 . 1 1 193 193 GLU C C 13 179.3 0.2 . 1 . . . . . . . . 5218 1 987 . 1 1 194 194 LEU N N 15 118.0 0.1 . 1 . . . . . . . . 5218 1 988 . 1 1 194 194 LEU H H 1 8.36 0.02 . 1 . . . . . . . . 5218 1 989 . 1 1 194 194 LEU CA C 13 57.2 0.2 . 1 . . . . . . . . 5218 1 990 . 1 1 194 194 LEU HA H 1 3.91 0.02 . 1 . . . . . . . . 5218 1 991 . 1 1 194 194 LEU CB C 13 41.7 0.2 . 1 . . . . . . . . 5218 1 992 . 1 1 194 194 LEU C C 13 179.9 0.2 . 1 . . . . . . . . 5218 1 993 . 1 1 195 195 SER N N 15 116.3 0.1 . 1 . . . . . . . . 5218 1 994 . 1 1 195 195 SER H H 1 8.05 0.02 . 1 . . . . . . . . 5218 1 995 . 1 1 195 195 SER CA C 13 61.13 0.2 . 1 . . . . . . . . 5218 1 996 . 1 1 195 195 SER HA H 1 4.09 0.02 . 1 . . . . . . . . 5218 1 997 . 1 1 195 195 SER CB C 13 62.5 0.2 . 1 . . . . . . . . 5218 1 998 . 1 1 195 195 SER HB3 H 1 3.91 0.02 . 2 . . . . . . . . 5218 1 999 . 1 1 195 195 SER C C 13 175.4 0.2 . 1 . . . . . . . . 5218 1 1000 . 1 1 196 196 PHE N N 15 119.7 0.1 . 1 . . . . . . . . 5218 1 1001 . 1 1 196 196 PHE H H 1 7.30 0.02 . 1 . . . . . . . . 5218 1 1002 . 1 1 196 196 PHE CA C 13 59.6 0.2 . 1 . . . . . . . . 5218 1 1003 . 1 1 196 196 PHE CB C 13 38.5 0.2 . 1 . . . . . . . . 5218 1 1004 . 1 1 196 196 PHE C C 13 177.2 0.2 . 1 . . . . . . . . 5218 1 1005 . 1 1 197 197 LEU N N 15 117.0 0.1 . 1 . . . . . . . . 5218 1 1006 . 1 1 197 197 LEU H H 1 7.63 0.02 . 1 . . . . . . . . 5218 1 1007 . 1 1 197 197 LEU CA C 13 55.5 0.2 . 1 . . . . . . . . 5218 1 1008 . 1 1 197 197 LEU HA H 1 4.10 0.02 . 1 . . . . . . . . 5218 1 1009 . 1 1 197 197 LEU CB C 13 42.5 0.2 . 1 . . . . . . . . 5218 1 1010 . 1 1 197 197 LEU C C 13 176.8 0.2 . 1 . . . . . . . . 5218 1 1011 . 1 1 198 198 ASN N N 15 119.3 0.1 . 1 . . . . . . . . 5218 1 1012 . 1 1 198 198 ASN H H 1 7.51 0.02 . 1 . . . . . . . . 5218 1 1013 . 1 1 198 198 ASN CA C 13 51.5 0.2 . 1 . . . . . . . . 5218 1 1014 . 1 1 198 198 ASN HA H 1 4.98 0.02 . 1 . . . . . . . . 5218 1 1015 . 1 1 198 198 ASN CB C 13 39.0 0.2 . 1 . . . . . . . . 5218 1 1016 . 1 1 198 198 ASN C C 13 172.9 0.2 . 1 . . . . . . . . 5218 1 1017 . 1 1 199 199 SER N N 15 114.5 0.1 . 1 . . . . . . . . 5218 1 1018 . 1 1 199 199 SER H H 1 7.91 0.02 . 1 . . . . . . . . 5218 1 1019 . 1 1 199 199 SER CA C 13 59.6 0.2 . 1 . . . . . . . . 5218 1 1020 . 1 1 199 199 SER HA H 1 4.33 0.02 . 1 . . . . . . . . 5218 1 1021 . 1 1 199 199 SER CB C 13 63.1 0.2 . 1 . . . . . . . . 5218 1 1022 . 1 1 199 199 SER HB3 H 1 3.77 0.02 . 2 . . . . . . . . 5218 1 1023 . 1 1 199 199 SER C C 13 175.8 0.2 . 1 . . . . . . . . 5218 1 1024 . 1 1 200 200 GLY N N 15 112.4 0.1 . 2 . . . . . . . . 5218 1 1025 . 1 1 200 200 GLY H H 1 8.85 0.02 . 1 . . . . . . . . 5218 1 1026 . 1 1 200 200 GLY CA C 13 45.0 0.2 . 1 . . . . . . . . 5218 1 1027 . 1 1 200 200 GLY HA2 H 1 3.77 0.02 . 2 . . . . . . . . 5218 1 1028 . 1 1 200 200 GLY C C 13 173.9 0.2 . 1 . . . . . . . . 5218 1 1029 . 1 1 201 201 VAL N N 15 120.7 0.1 . 1 . . . . . . . . 5218 1 1030 . 1 1 201 201 VAL H H 1 7.70 0.02 . 1 . . . . . . . . 5218 1 1031 . 1 1 201 201 VAL CA C 13 61.6 0.2 . 1 . . . . . . . . 5218 1 1032 . 1 1 201 201 VAL HA H 1 4.28 0.02 . 1 . . . . . . . . 5218 1 1033 . 1 1 201 201 VAL CB C 13 32.3 0.2 . 1 . . . . . . . . 5218 1 1034 . 1 1 201 201 VAL C C 13 174.9 0.2 . 1 . . . . . . . . 5218 1 1035 . 1 1 202 202 SER N N 15 123.2 0.1 . 1 . . . . . . . . 5218 1 1036 . 1 1 202 202 SER H H 1 8.40 0.02 . 1 . . . . . . . . 5218 1 1037 . 1 1 202 202 SER CA C 13 57.4 0.2 . 1 . . . . . . . . 5218 1 1038 . 1 1 202 202 SER HA H 1 4.97 0.02 . 1 . . . . . . . . 5218 1 1039 . 1 1 202 202 SER CB C 13 63.1 0.2 . 1 . . . . . . . . 5218 1 1040 . 1 1 202 202 SER HB2 H 1 3.71 0.02 . 2 . . . . . . . . 5218 1 1041 . 1 1 202 202 SER HB3 H 1 3.97 0.02 . 2 . . . . . . . . 5218 1 1042 . 1 1 202 202 SER C C 13 173.5 0.2 . 1 . . . . . . . . 5218 1 1043 . 1 1 203 203 ILE N N 15 126.2 0.1 . 1 . . . . . . . . 5218 1 1044 . 1 1 203 203 ILE H H 1 9.15 0.02 . 1 . . . . . . . . 5218 1 1045 . 1 1 203 203 ILE CA C 13 59.9 0.2 . 1 . . . . . . . . 5218 1 1046 . 1 1 203 203 ILE HA H 1 5.31 0.02 . 1 . . . . . . . . 5218 1 1047 . 1 1 203 203 ILE CB C 13 39.8 0.2 . 1 . . . . . . . . 5218 1 1048 . 1 1 203 203 ILE C C 13 174.7 0.2 . 1 . . . . . . . . 5218 1 1049 . 1 1 204 204 ARG N N 15 126.4 0.1 . 1 . . . . . . . . 5218 1 1050 . 1 1 204 204 ARG H H 1 9.26 0.02 . 1 . . . . . . . . 5218 1 1051 . 1 1 204 204 ARG CA C 13 54.0 0.2 . 1 . . . . . . . . 5218 1 1052 . 1 1 204 204 ARG HA H 1 5.10 0.02 . 1 . . . . . . . . 5218 1 1053 . 1 1 204 204 ARG CB C 13 32.5 0.2 . 1 . . . . . . . . 5218 1 1054 . 1 1 204 204 ARG C C 13 173.2 0.2 . 1 . . . . . . . . 5218 1 1055 . 1 1 205 205 LEU N N 15 125.3 0.1 . 1 . . . . . . . . 5218 1 1056 . 1 1 205 205 LEU H H 1 8.37 0.02 . 1 . . . . . . . . 5218 1 1057 . 1 1 205 205 LEU CA C 13 52.5 0.2 . 1 . . . . . . . . 5218 1 1058 . 1 1 205 205 LEU HA H 1 5.58 0.02 . 1 . . . . . . . . 5218 1 1059 . 1 1 205 205 LEU CB C 13 45.3 0.2 . 1 . . . . . . . . 5218 1 1060 . 1 1 205 205 LEU C C 13 174.0 0.2 . 1 . . . . . . . . 5218 1 1061 . 1 1 206 206 ARG N N 15 123.2 0.1 . 1 . . . . . . . . 5218 1 1062 . 1 1 206 206 ARG H H 1 9.07 0.02 . 1 . . . . . . . . 5218 1 1063 . 1 1 206 206 ARG CA C 13 54.3 0.2 . 1 . . . . . . . . 5218 1 1064 . 1 1 206 206 ARG HA H 1 5.16 0.02 . 1 . . . . . . . . 5218 1 1065 . 1 1 206 206 ARG CB C 13 33.0 0.2 . 1 . . . . . . . . 5218 1 1066 . 1 1 206 206 ARG C C 13 173.6 0.2 . 1 . . . . . . . . 5218 1 1067 . 1 1 207 207 ASP N N 15 123.7 0.1 . 1 . . . . . . . . 5218 1 1068 . 1 1 207 207 ASP H H 1 9.31 0.02 . 1 . . . . . . . . 5218 1 1069 . 1 1 207 207 ASP CA C 13 52.1 0.2 . 1 . . . . . . . . 5218 1 1070 . 1 1 207 207 ASP HA H 1 5.17 0.02 . 1 . . . . . . . . 5218 1 1071 . 1 1 207 207 ASP CB C 13 42.6 0.2 . 1 . . . . . . . . 5218 1 1072 . 1 1 207 207 ASP HB3 H 1 3.63 0.02 . 2 . . . . . . . . 5218 1 1073 . 1 1 207 207 ASP C C 13 177.5 0.2 . 1 . . . . . . . . 5218 1 1074 . 1 1 208 208 LYS N N 15 122.8 0.1 . 1 . . . . . . . . 5218 1 1075 . 1 1 208 208 LYS H H 1 9.31 0.02 . 1 . . . . . . . . 5218 1 1076 . 1 1 208 208 LYS CA C 13 56.2 0.2 . 1 . . . . . . . . 5218 1 1077 . 1 1 208 208 LYS HA H 1 4.20 0.02 . 1 . . . . . . . . 5218 1 1078 . 1 1 208 208 LYS CB C 13 30.7 0.2 . 1 . . . . . . . . 5218 1 1079 . 1 1 208 208 LYS C C 13 178.4 0.2 . 1 . . . . . . . . 5218 1 1080 . 1 1 209 209 ARG N N 15 119.3 0.1 . 1 . . . . . . . . 5218 1 1081 . 1 1 209 209 ARG H H 1 9.18 0.02 . 1 . . . . . . . . 5218 1 1082 . 1 1 209 209 ARG CA C 13 58.4 0.2 . 1 . . . . . . . . 5218 1 1083 . 1 1 209 209 ARG HA H 1 4.06 0.02 . 1 . . . . . . . . 5218 1 1084 . 1 1 209 209 ARG CB C 13 28.3 0.2 . 1 . . . . . . . . 5218 1 1085 . 1 1 209 209 ARG C C 13 177.9 0.2 . 1 . . . . . . . . 5218 1 1086 . 1 1 210 210 ASP N N 15 112.7 0.1 . 1 . . . . . . . . 5218 1 1087 . 1 1 210 210 ASP H H 1 7.03 0.02 . 1 . . . . . . . . 5218 1 1088 . 1 1 210 210 ASP CA C 13 52.5 0.2 . 1 . . . . . . . . 5218 1 1089 . 1 1 210 210 ASP HA H 1 4.64 0.02 . 1 . . . . . . . . 5218 1 1090 . 1 1 210 210 ASP CB C 13 41.5 0.2 . 1 . . . . . . . . 5218 1 1091 . 1 1 210 210 ASP C C 13 177.3 0.2 . 1 . . . . . . . . 5218 1 1092 . 1 1 211 211 GLY N N 15 110.0 0.1 . 1 . . . . . . . . 5218 1 1093 . 1 1 211 211 GLY H H 1 8.25 0.02 . 1 . . . . . . . . 5218 1 1094 . 1 1 211 211 GLY CA C 13 45.53 0.2 . 1 . . . . . . . . 5218 1 1095 . 1 1 211 211 GLY HA2 H 1 4.13 0.02 . 2 . . . . . . . . 5218 1 1096 . 1 1 211 211 GLY HA3 H 1 3.71 0.02 . 2 . . . . . . . . 5218 1 1097 . 1 1 211 211 GLY C C 13 174.5 0.2 . 1 . . . . . . . . 5218 1 1098 . 1 1 212 212 LYS N N 15 123.3 0.1 . 1 . . . . . . . . 5218 1 1099 . 1 1 212 212 LYS H H 1 7.83 0.02 . 1 . . . . . . . . 5218 1 1100 . 1 1 212 212 LYS CA C 13 57.6 0.2 . 1 . . . . . . . . 5218 1 1101 . 1 1 212 212 LYS HA H 1 4.06 0.02 . 1 . . . . . . . . 5218 1 1102 . 1 1 212 212 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 5218 1 1103 . 1 1 212 212 LYS C C 13 175.4 0.2 . 1 . . . . . . . . 5218 1 1104 . 1 1 213 213 GLU N N 15 119.4 0.1 . 1 . . . . . . . . 5218 1 1105 . 1 1 213 213 GLU H H 1 7.96 0.02 . 1 . . . . . . . . 5218 1 1106 . 1 1 213 213 GLU CA C 13 55.1 0.2 . 1 . . . . . . . . 5218 1 1107 . 1 1 213 213 GLU HA H 1 5.58 0.02 . 1 . . . . . . . . 5218 1 1108 . 1 1 213 213 GLU CB C 13 33.1 0.2 . 1 . . . . . . . . 5218 1 1109 . 1 1 213 213 GLU C C 13 174.8 0.2 . 1 . . . . . . . . 5218 1 1110 . 1 1 214 214 ASP N N 15 121.4 0.1 . 1 . . . . . . . . 5218 1 1111 . 1 1 214 214 ASP H H 1 9.15 0.02 . 1 . . . . . . . . 5218 1 1112 . 1 1 214 214 ASP CA C 13 53.3 0.2 . 1 . . . . . . . . 5218 1 1113 . 1 1 214 214 ASP HA H 1 4.85 0.02 . 1 . . . . . . . . 5218 1 1114 . 1 1 214 214 ASP CB C 13 47.4 0.2 . 1 . . . . . . . . 5218 1 1115 . 1 1 214 214 ASP C C 13 174.5 0.2 . 1 . . . . . . . . 5218 1 1116 . 1 1 215 215 HIS N N 15 121.5 0.1 . 1 . . . . . . . . 5218 1 1117 . 1 1 215 215 HIS H H 1 8.85 0.02 . 1 . . . . . . . . 5218 1 1118 . 1 1 215 215 HIS CA C 13 53.2 0.2 . 1 . . . . . . . . 5218 1 1119 . 1 1 215 215 HIS HA H 1 4.93 0.02 . 1 . . . . . . . . 5218 1 1120 . 1 1 215 215 HIS CB C 13 32.7 0.2 . 1 . . . . . . . . 5218 1 1121 . 1 1 215 215 HIS C C 13 172.7 0.2 . 1 . . . . . . . . 5218 1 1122 . 1 1 216 216 PHE N N 15 128.8 0.1 . 1 . . . . . . . . 5218 1 1123 . 1 1 216 216 PHE H H 1 9.52 0.02 . 1 . . . . . . . . 5218 1 1124 . 1 1 216 216 PHE CA C 13 55.0 0.2 . 1 . . . . . . . . 5218 1 1125 . 1 1 216 216 PHE HA H 1 4.94 0.02 . 1 . . . . . . . . 5218 1 1126 . 1 1 216 216 PHE CB C 13 39.0 0.2 . 1 . . . . . . . . 5218 1 1127 . 1 1 216 216 PHE C C 13 173.2 0.2 . 1 . . . . . . . . 5218 1 1128 . 1 1 217 217 HIS N N 15 122.0 0.1 . 1 . . . . . . . . 5218 1 1129 . 1 1 217 217 HIS H H 1 8.15 0.02 . 1 . . . . . . . . 5218 1 1130 . 1 1 217 217 HIS CA C 13 55.4 0.2 . 1 . . . . . . . . 5218 1 1131 . 1 1 217 217 HIS CB C 13 31.1 0.2 . 1 . . . . . . . . 5218 1 1132 . 1 1 217 217 HIS C C 13 172.3 0.2 . 1 . . . . . . . . 5218 1 1133 . 1 1 218 218 TYR N N 15 129.1 0.1 . 1 . . . . . . . . 5218 1 1134 . 1 1 218 218 TYR H H 1 9.30 0.02 . 1 . . . . . . . . 5218 1 1135 . 1 1 218 218 TYR CA C 13 56.8 0.2 . 1 . . . . . . . . 5218 1 1136 . 1 1 218 218 TYR HA H 1 4.59 0.02 . 1 . . . . . . . . 5218 1 1137 . 1 1 218 218 TYR CB C 13 39.7 0.2 . 1 . . . . . . . . 5218 1 1138 . 1 1 218 218 TYR C C 13 174.2 0.2 . 1 . . . . . . . . 5218 1 1139 . 1 1 219 219 GLU N N 15 124.8 0.1 . 1 . . . . . . . . 5218 1 1140 . 1 1 219 219 GLU H H 1 8.22 0.02 . 1 . . . . . . . . 5218 1 1141 . 1 1 219 219 GLU CA C 13 55.8 0.2 . 1 . . . . . . . . 5218 1 1142 . 1 1 219 219 GLU HA H 1 4.14 0.02 . 1 . . . . . . . . 5218 1 1143 . 1 1 219 219 GLU CB C 13 30.1 0.2 . 1 . . . . . . . . 5218 1 1144 . 1 1 219 219 GLU C C 13 175.2 0.2 . 1 . . . . . . . . 5218 1 1145 . 1 1 220 220 GLY N N 15 114.0 0.1 . 1 . . . . . . . . 5218 1 1146 . 1 1 220 220 GLY H H 1 6.70 0.02 . 1 . . . . . . . . 5218 1 1147 . 1 1 220 220 GLY CA C 13 45.6 0.2 . 1 . . . . . . . . 5218 1 1148 . 1 1 220 220 GLY HA2 H 1 3.48 0.02 . 2 . . . . . . . . 5218 1 1149 . 1 1 220 220 GLY HA3 H 1 3.59 0.02 . 2 . . . . . . . . 5218 1 1150 . 1 1 220 220 GLY C C 13 178.5 0.2 . 1 . . . . . . . . 5218 1 stop_ save_