data_4834 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4834 _Entry.Title ; Backbone (1H, 15N, 13C) Resonance Assignments of a 21 kDa construct of S. aureus Peptide Deformylase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-09-18 _Entry.Accession_date 2000-09-19 _Entry.Last_release_date 2001-02-14 _Entry.Original_release_date 2001-02-14 _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 Terrence Scahill . A. . 4834 2 David Kloosterman . A. . 4834 3 Joyce Cialdella . I. . 4834 4 Martin Deibel . R. Jr. 4834 5 Vincent Marshall . P. . 4834 6 Anthony Yem . W. . 4834 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4834 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 632 4834 '13C chemical shifts' 509 4834 '15N chemical shifts' 166 4834 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 . . 2001-02-14 2000-09-18 original author . 4834 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4834 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone (1H, 15N, 13C) resonance assignments of a 21 kDa construct of S. aureus peptide deformylase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 1 _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 81 _Citation.Page_last 82 _Citation.Year 2001 _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 Terrence Scahill . A. . 4834 1 2 David Kloosterman . A. . 4834 1 3 Joyce Cialdella . I. . 4834 1 4 Martin Deibel . R. Jr. 4834 1 5 Vincent Marshall . P. . 4834 1 6 Anthony Yem . W. . 4834 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID antibiotics 4834 1 'drug discovery' 4834 1 'peptide deformylase' 4834 1 pdf 4834 1 'NMR assignment' 4834 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_pdf _Assembly.Sf_category assembly _Assembly.Sf_framecode system_pdf _Assembly.Entry_ID 4834 _Assembly.ID 1 _Assembly.Name 'S. aureus peptide deformylase' _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 . _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 4834 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 pdf 1 $pdf . . . native . . . . . 4834 1 2 'ZN 2+' 2 $ZN . . . native . . . . . 4834 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'S. aureus peptide deformylase' system 4834 1 pdf abbreviation 4834 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'peptide deformylase' 4834 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_pdf _Entity.Sf_category entity _Entity.Sf_framecode pdf _Entity.Entry_ID 4834 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Staphylococcal aureus peptide deformylase' _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 ; MLTMKDIIRDGHPTLRQKAA ELELPLTKEEKETLIAMREF LVNSQDEEIAKRYGLRSGVG LAAPQINISKRMIAVLIPDD GSGKSYDYMLVNPKIVSHSV QEAYLPTGEGCLSVDDNVAG LVHRHNRITIKAKDIEGNDI QLRLKGYPAIVFQHEIDHLN GVMFYDHIDKDHPLQPHTDA VEVHHHHHH ; _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 189 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-01-29 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 1LM4 . "Structure Of Peptide Deformylase From Staphylococcus Aureus At 1.45 A" . . . . . 96.83 194 98.91 99.45 1.43e-126 . . . . 4834 1 2 no PDB 1LQW . "Crystal Structure Of S.Aureus Peptide Deformylase" . . . . . 96.83 183 99.45 100.00 4.50e-129 . . . . 4834 1 3 no PDB 1Q1Y . "Crystal Structures Of Peptide Deformylase From Staphylococcus Aureus Complexed With Actinonin" . . . . . 101.06 191 98.43 98.43 5.18e-131 . . . . 4834 1 4 no PDB 2AI9 . "S.Aureus Polypeptide Deformylase" . . . . . 96.83 183 99.45 100.00 4.50e-129 . . . . 4834 1 5 no PDB 3U7K . "Crystal Structures Of The Staphylococcus Aureus Peptide Deformylase In Complex With Two Classes Of New Inhibitors" . . . . . 101.06 191 98.43 98.43 5.18e-131 . . . . 4834 1 6 no PDB 3U7L . "Crystal Structures Of The Staphylococcus Aureus Peptide Deformylase In Complex With Two Classes Of New Inhibitors" . . . . . 101.06 191 98.43 98.43 5.18e-131 . . . . 4834 1 7 no PDB 3U7M . "Crystal Structures Of The Staphylococcus Aureus Peptide Deformylase In Complex With Two Classes Of New Inhibitors" . . . . . 101.06 191 98.43 98.43 5.18e-131 . . . . 4834 1 8 no PDB 3U7N . "Crystal Structures Of The Staphylococcus Aureus Peptide Deformylase In Complex With Two Classes Of New Inhibitors" . . . . . 101.06 191 98.43 98.43 5.18e-131 . . . . 4834 1 9 no DBJ BAB42188 . "pdf1 [Staphylococcus aureus subsp. aureus N315]" . . . . . 96.83 183 99.45 100.00 4.50e-129 . . . . 4834 1 10 no DBJ BAB57253 . "formylmethionine deformylase homolog [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 96.83 183 99.45 100.00 4.50e-129 . . . . 4834 1 11 no DBJ BAB94839 . "pdf1 [Staphylococcus aureus subsp. aureus MW2]" . . . . . 96.83 183 100.00 100.00 1.15e-129 . . . . 4834 1 12 no DBJ BAF67229 . "polypeptide deformylase 2 [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 96.83 183 100.00 100.00 1.15e-129 . . . . 4834 1 13 no DBJ BAF77966 . "formylmethionine deformylase homolog [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 96.83 183 99.45 100.00 4.50e-129 . . . . 4834 1 14 no EMBL CAG40067 . "putative polypeptide deformylase 2 [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 96.83 183 100.00 100.00 1.15e-129 . . . . 4834 1 15 no EMBL CAG42800 . "putative polypeptide deformylase 2 [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 96.83 183 100.00 100.00 1.15e-129 . . . . 4834 1 16 no EMBL CAI80645 . "peptide deformylase [Staphylococcus aureus RF122]" . . . . . 96.83 183 100.00 100.00 1.15e-129 . . . . 4834 1 17 no EMBL CAQ49513 . "peptide deformylase [Staphylococcus aureus subsp. aureus ST398]" . . . . . 96.83 183 99.45 99.45 3.31e-129 . . . . 4834 1 18 no EMBL CBI48965 . "putative polypeptide deformylase 2 [Staphylococcus aureus subsp. aureus TW20]" . . . . . 96.83 183 100.00 100.00 1.15e-129 . . . . 4834 1 19 no GB AAG02249 . "peptide deformylase Pdf1 [Staphylococcus aureus]" . . . . . 96.83 183 99.45 100.00 4.50e-129 . . . . 4834 1 20 no GB AAW37980 . "polypeptide deformylase [Staphylococcus aureus subsp. aureus COL]" . . . . . 96.83 183 100.00 100.00 1.15e-129 . . . . 4834 1 21 no GB ABD21929 . "peptide deformylase [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 96.83 183 100.00 100.00 1.15e-129 . . . . 4834 1 22 no GB ABD30158 . "polypeptide deformylase [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 96.83 183 100.00 100.00 1.15e-129 . . . . 4834 1 23 no GB ABQ48951 . "peptide deformylase [Staphylococcus aureus subsp. aureus JH9]" . . . . . 96.83 183 99.45 100.00 4.50e-129 . . . . 4834 1 24 no REF NP_371615 . "peptide deformylase [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 96.83 183 99.45 100.00 4.50e-129 . . . . 4834 1 25 no REF NP_374210 . "peptide deformylase [Staphylococcus aureus subsp. aureus N315]" . . . . . 96.83 183 99.45 100.00 4.50e-129 . . . . 4834 1 26 no REF NP_645791 . "peptide deformylase [Staphylococcus aureus subsp. aureus MW2]" . . . . . 96.83 183 100.00 100.00 1.15e-129 . . . . 4834 1 27 no REF WP_000957034 . "peptide deformylase [Staphylococcus aureus]" . . . . . 96.83 183 99.45 99.45 3.31e-129 . . . . 4834 1 28 no REF WP_000957036 . "peptide deformylase [Staphylococcus aureus]" . . . . . 96.83 183 100.00 100.00 1.15e-129 . . . . 4834 1 29 no SP P68825 . "RecName: Full=Peptide deformylase; Short=PDF; AltName: Full=Polypeptide deformylase [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 96.83 183 99.45 100.00 4.50e-129 . . . . 4834 1 30 no SP P68826 . "RecName: Full=Peptide deformylase; Short=PDF; AltName: Full=Polypeptide deformylase [Staphylococcus aureus]" . . . . . 96.83 183 99.45 100.00 4.50e-129 . . . . 4834 1 31 no SP P99077 . "RecName: Full=Peptide deformylase; Short=PDF; AltName: Full=Polypeptide deformylase [Staphylococcus aureus subsp. aureus N315]" . . . . . 96.83 183 99.45 100.00 4.50e-129 . . . . 4834 1 32 no SP Q5HGZ3 . "RecName: Full=Peptide deformylase; Short=PDF; AltName: Full=Polypeptide deformylase [Staphylococcus aureus subsp. aureus COL]" . . . . . 96.83 183 100.00 100.00 1.15e-129 . . . . 4834 1 33 no SP Q6GAC3 . "RecName: Full=Peptide deformylase; Short=PDF; AltName: Full=Polypeptide deformylase [Staphylococcus aureus subsp. aureus MSSA47" . . . . . 96.83 183 100.00 100.00 1.15e-129 . . . . 4834 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Staphylococcal aureus peptide deformylase' common 4834 1 'S. aureus pdf' abbreviation 4834 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 . 4834 1 2 . LEU . 4834 1 3 . THR . 4834 1 4 . MET . 4834 1 5 . LYS . 4834 1 6 . ASP . 4834 1 7 . ILE . 4834 1 8 . ILE . 4834 1 9 . ARG . 4834 1 10 . ASP . 4834 1 11 . GLY . 4834 1 12 . HIS . 4834 1 13 . PRO . 4834 1 14 . THR . 4834 1 15 . LEU . 4834 1 16 . ARG . 4834 1 17 . GLN . 4834 1 18 . LYS . 4834 1 19 . ALA . 4834 1 20 . ALA . 4834 1 21 . GLU . 4834 1 22 . LEU . 4834 1 23 . GLU . 4834 1 24 . LEU . 4834 1 25 . PRO . 4834 1 26 . LEU . 4834 1 27 . THR . 4834 1 28 . LYS . 4834 1 29 . GLU . 4834 1 30 . GLU . 4834 1 31 . LYS . 4834 1 32 . GLU . 4834 1 33 . THR . 4834 1 34 . LEU . 4834 1 35 . ILE . 4834 1 36 . ALA . 4834 1 37 . MET . 4834 1 38 . ARG . 4834 1 39 . GLU . 4834 1 40 . PHE . 4834 1 41 . LEU . 4834 1 42 . VAL . 4834 1 43 . ASN . 4834 1 44 . SER . 4834 1 45 . GLN . 4834 1 46 . ASP . 4834 1 47 . GLU . 4834 1 48 . GLU . 4834 1 49 . ILE . 4834 1 50 . ALA . 4834 1 51 . LYS . 4834 1 52 . ARG . 4834 1 53 . TYR . 4834 1 54 . GLY . 4834 1 55 . LEU . 4834 1 56 . ARG . 4834 1 57 . SER . 4834 1 58 . GLY . 4834 1 59 . VAL . 4834 1 60 . GLY . 4834 1 61 . LEU . 4834 1 62 . ALA . 4834 1 63 . ALA . 4834 1 64 . PRO . 4834 1 65 . GLN . 4834 1 66 . ILE . 4834 1 67 . ASN . 4834 1 68 . ILE . 4834 1 69 . SER . 4834 1 70 . LYS . 4834 1 71 . ARG . 4834 1 72 . MET . 4834 1 73 . ILE . 4834 1 74 . ALA . 4834 1 75 . VAL . 4834 1 76 . LEU . 4834 1 77 . ILE . 4834 1 78 . PRO . 4834 1 79 . ASP . 4834 1 80 . ASP . 4834 1 81 . GLY . 4834 1 82 . SER . 4834 1 83 . GLY . 4834 1 84 . LYS . 4834 1 85 . SER . 4834 1 86 . TYR . 4834 1 87 . ASP . 4834 1 88 . TYR . 4834 1 89 . MET . 4834 1 90 . LEU . 4834 1 91 . VAL . 4834 1 92 . ASN . 4834 1 93 . PRO . 4834 1 94 . LYS . 4834 1 95 . ILE . 4834 1 96 . VAL . 4834 1 97 . SER . 4834 1 98 . HIS . 4834 1 99 . SER . 4834 1 100 . VAL . 4834 1 101 . GLN . 4834 1 102 . GLU . 4834 1 103 . ALA . 4834 1 104 . TYR . 4834 1 105 . LEU . 4834 1 106 . PRO . 4834 1 107 . THR . 4834 1 108 . GLY . 4834 1 109 . GLU . 4834 1 110 . GLY . 4834 1 111 . CYS . 4834 1 112 . LEU . 4834 1 113 . SER . 4834 1 114 . VAL . 4834 1 115 . ASP . 4834 1 116 . ASP . 4834 1 117 . ASN . 4834 1 118 . VAL . 4834 1 119 . ALA . 4834 1 120 . GLY . 4834 1 121 . LEU . 4834 1 122 . VAL . 4834 1 123 . HIS . 4834 1 124 . ARG . 4834 1 125 . HIS . 4834 1 126 . ASN . 4834 1 127 . ARG . 4834 1 128 . ILE . 4834 1 129 . THR . 4834 1 130 . ILE . 4834 1 131 . LYS . 4834 1 132 . ALA . 4834 1 133 . LYS . 4834 1 134 . ASP . 4834 1 135 . ILE . 4834 1 136 . GLU . 4834 1 137 . GLY . 4834 1 138 . ASN . 4834 1 139 . ASP . 4834 1 140 . ILE . 4834 1 141 . GLN . 4834 1 142 . LEU . 4834 1 143 . ARG . 4834 1 144 . LEU . 4834 1 145 . LYS . 4834 1 146 . GLY . 4834 1 147 . TYR . 4834 1 148 . PRO . 4834 1 149 . ALA . 4834 1 150 . ILE . 4834 1 151 . VAL . 4834 1 152 . PHE . 4834 1 153 . GLN . 4834 1 154 . HIS . 4834 1 155 . GLU . 4834 1 156 . ILE . 4834 1 157 . ASP . 4834 1 158 . HIS . 4834 1 159 . LEU . 4834 1 160 . ASN . 4834 1 161 . GLY . 4834 1 162 . VAL . 4834 1 163 . MET . 4834 1 164 . PHE . 4834 1 165 . TYR . 4834 1 166 . ASP . 4834 1 167 . HIS . 4834 1 168 . ILE . 4834 1 169 . ASP . 4834 1 170 . LYS . 4834 1 171 . ASP . 4834 1 172 . HIS . 4834 1 173 . PRO . 4834 1 174 . LEU . 4834 1 175 . GLN . 4834 1 176 . PRO . 4834 1 177 . HIS . 4834 1 178 . THR . 4834 1 179 . ASP . 4834 1 180 . ALA . 4834 1 181 . VAL . 4834 1 182 . GLU . 4834 1 183 . VAL . 4834 1 184 . HIS . 4834 1 185 . HIS . 4834 1 186 . HIS . 4834 1 187 . HIS . 4834 1 188 . HIS . 4834 1 189 . HIS . 4834 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 4834 1 . LEU 2 2 4834 1 . THR 3 3 4834 1 . MET 4 4 4834 1 . LYS 5 5 4834 1 . ASP 6 6 4834 1 . ILE 7 7 4834 1 . ILE 8 8 4834 1 . ARG 9 9 4834 1 . ASP 10 10 4834 1 . GLY 11 11 4834 1 . HIS 12 12 4834 1 . PRO 13 13 4834 1 . THR 14 14 4834 1 . LEU 15 15 4834 1 . ARG 16 16 4834 1 . GLN 17 17 4834 1 . LYS 18 18 4834 1 . ALA 19 19 4834 1 . ALA 20 20 4834 1 . GLU 21 21 4834 1 . LEU 22 22 4834 1 . GLU 23 23 4834 1 . LEU 24 24 4834 1 . PRO 25 25 4834 1 . LEU 26 26 4834 1 . THR 27 27 4834 1 . LYS 28 28 4834 1 . GLU 29 29 4834 1 . GLU 30 30 4834 1 . LYS 31 31 4834 1 . GLU 32 32 4834 1 . THR 33 33 4834 1 . LEU 34 34 4834 1 . ILE 35 35 4834 1 . ALA 36 36 4834 1 . MET 37 37 4834 1 . ARG 38 38 4834 1 . GLU 39 39 4834 1 . PHE 40 40 4834 1 . LEU 41 41 4834 1 . VAL 42 42 4834 1 . ASN 43 43 4834 1 . SER 44 44 4834 1 . GLN 45 45 4834 1 . ASP 46 46 4834 1 . GLU 47 47 4834 1 . GLU 48 48 4834 1 . ILE 49 49 4834 1 . ALA 50 50 4834 1 . LYS 51 51 4834 1 . ARG 52 52 4834 1 . TYR 53 53 4834 1 . GLY 54 54 4834 1 . LEU 55 55 4834 1 . ARG 56 56 4834 1 . SER 57 57 4834 1 . GLY 58 58 4834 1 . VAL 59 59 4834 1 . GLY 60 60 4834 1 . LEU 61 61 4834 1 . ALA 62 62 4834 1 . ALA 63 63 4834 1 . PRO 64 64 4834 1 . GLN 65 65 4834 1 . ILE 66 66 4834 1 . ASN 67 67 4834 1 . ILE 68 68 4834 1 . SER 69 69 4834 1 . LYS 70 70 4834 1 . ARG 71 71 4834 1 . MET 72 72 4834 1 . ILE 73 73 4834 1 . ALA 74 74 4834 1 . VAL 75 75 4834 1 . LEU 76 76 4834 1 . ILE 77 77 4834 1 . PRO 78 78 4834 1 . ASP 79 79 4834 1 . ASP 80 80 4834 1 . GLY 81 81 4834 1 . SER 82 82 4834 1 . GLY 83 83 4834 1 . LYS 84 84 4834 1 . SER 85 85 4834 1 . TYR 86 86 4834 1 . ASP 87 87 4834 1 . TYR 88 88 4834 1 . MET 89 89 4834 1 . LEU 90 90 4834 1 . VAL 91 91 4834 1 . ASN 92 92 4834 1 . PRO 93 93 4834 1 . LYS 94 94 4834 1 . ILE 95 95 4834 1 . VAL 96 96 4834 1 . SER 97 97 4834 1 . HIS 98 98 4834 1 . SER 99 99 4834 1 . VAL 100 100 4834 1 . GLN 101 101 4834 1 . GLU 102 102 4834 1 . ALA 103 103 4834 1 . TYR 104 104 4834 1 . LEU 105 105 4834 1 . PRO 106 106 4834 1 . THR 107 107 4834 1 . GLY 108 108 4834 1 . GLU 109 109 4834 1 . GLY 110 110 4834 1 . CYS 111 111 4834 1 . LEU 112 112 4834 1 . SER 113 113 4834 1 . VAL 114 114 4834 1 . ASP 115 115 4834 1 . ASP 116 116 4834 1 . ASN 117 117 4834 1 . VAL 118 118 4834 1 . ALA 119 119 4834 1 . GLY 120 120 4834 1 . LEU 121 121 4834 1 . VAL 122 122 4834 1 . HIS 123 123 4834 1 . ARG 124 124 4834 1 . HIS 125 125 4834 1 . ASN 126 126 4834 1 . ARG 127 127 4834 1 . ILE 128 128 4834 1 . THR 129 129 4834 1 . ILE 130 130 4834 1 . LYS 131 131 4834 1 . ALA 132 132 4834 1 . LYS 133 133 4834 1 . ASP 134 134 4834 1 . ILE 135 135 4834 1 . GLU 136 136 4834 1 . GLY 137 137 4834 1 . ASN 138 138 4834 1 . ASP 139 139 4834 1 . ILE 140 140 4834 1 . GLN 141 141 4834 1 . LEU 142 142 4834 1 . ARG 143 143 4834 1 . LEU 144 144 4834 1 . LYS 145 145 4834 1 . GLY 146 146 4834 1 . TYR 147 147 4834 1 . PRO 148 148 4834 1 . ALA 149 149 4834 1 . ILE 150 150 4834 1 . VAL 151 151 4834 1 . PHE 152 152 4834 1 . GLN 153 153 4834 1 . HIS 154 154 4834 1 . GLU 155 155 4834 1 . ILE 156 156 4834 1 . ASP 157 157 4834 1 . HIS 158 158 4834 1 . LEU 159 159 4834 1 . ASN 160 160 4834 1 . GLY 161 161 4834 1 . VAL 162 162 4834 1 . MET 163 163 4834 1 . PHE 164 164 4834 1 . TYR 165 165 4834 1 . ASP 166 166 4834 1 . HIS 167 167 4834 1 . ILE 168 168 4834 1 . ASP 169 169 4834 1 . LYS 170 170 4834 1 . ASP 171 171 4834 1 . HIS 172 172 4834 1 . PRO 173 173 4834 1 . LEU 174 174 4834 1 . GLN 175 175 4834 1 . PRO 176 176 4834 1 . HIS 177 177 4834 1 . THR 178 178 4834 1 . ASP 179 179 4834 1 . ALA 180 180 4834 1 . VAL 181 181 4834 1 . GLU 182 182 4834 1 . VAL 183 183 4834 1 . HIS 184 184 4834 1 . HIS 185 185 4834 1 . HIS 186 186 4834 1 . HIS 187 187 4834 1 . HIS 188 188 4834 1 . HIS 189 189 4834 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 4834 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . ZN . 4834 2 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 4834 _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 $pdf . 1280 organism . 'Staphylococcus aureus' . . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 4834 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 4834 _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 $pdf . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4834 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 4834 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Zn+2] SMILES ACDLabs 10.04 4834 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 4834 ZN [Zn++] SMILES CACTVS 3.341 4834 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4834 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 4834 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 4834 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 4834 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 4834 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4834 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4834 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4834 _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 'Staphylococcal aureus peptide deformylase' '[95% 13C; 90% 15N]' . . 1 $pdf . . . 0.3 1.0 mM . . . . 4834 1 2 'ZINC (II) ION' . . . 2 $ZN . . . 0.6 2.0 mM . . . . 4834 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4834 _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* 7.4 0.2 n/a 4834 1 temperature 310 0.1 K 4834 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4834 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'visualization and resonance assignments' 4834 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 4834 _Software.ID 2 _Software.Name Felix _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'visualization and resonance assignments' 4834 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4834 _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_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4834 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 600 . . . 4834 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 4834 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4834 1 2 '1H-15N NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4834 1 3 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4834 1 4 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4834 1 5 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4834 1 6 CBCACONH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4834 1 7 NHCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4834 1 8 HBHACONH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4834 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4834 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The HNCA, HNCOCA, CBCACONH, HNCACB, HBHACONH were gradient-enhanced experiments' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4834 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The HNCA, HNCOCA, CBCACONH, HNCACB, HBHACONH were gradient-enhanced experiments' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4834 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The HNCA, HNCOCA, CBCACONH, HNCACB, HBHACONH were gradient-enhanced experiments' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4834 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The HNCA, HNCOCA, CBCACONH, HNCACB, HBHACONH were gradient-enhanced experiments' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4834 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The HNCA, HNCOCA, CBCACONH, HNCACB, HBHACONH were gradient-enhanced experiments' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4834 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The HNCA, HNCOCA, CBCACONH, HNCACB, HBHACONH were gradient-enhanced experiments' save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4834 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name NHCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The HNCA, HNCOCA, CBCACONH, HNCACB, HBHACONH were gradient-enhanced experiments' save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4834 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The HNCA, HNCOCA, CBCACONH, HNCACB, HBHACONH were gradient-enhanced experiments' 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 4834 _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 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . 1 $entry_citation . . 1 $entry_citation 4834 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4834 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4834 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4834 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 '1H-15N HSQC' 1 $sample_1 . 4834 1 2 '1H-15N NOESY' 1 $sample_1 . 4834 1 3 HNCA 1 $sample_1 . 4834 1 4 HN(CO)CA 1 $sample_1 . 4834 1 5 HNCO 1 $sample_1 . 4834 1 6 CBCACONH 1 $sample_1 . 4834 1 7 NHCACB 1 $sample_1 . 4834 1 8 HBHACONH 1 $sample_1 . 4834 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.85 0.02 . 1 . . . . . . . . 4834 1 2 . 1 1 1 1 MET HB2 H 1 1.89 0.02 . 1 . . . . . . . . 4834 1 3 . 1 1 1 1 MET HB3 H 1 1.89 0.02 . 1 . . . . . . . . 4834 1 4 . 1 1 1 1 MET C C 13 173.8 0.10 . 1 . . . . . . . . 4834 1 5 . 1 1 1 1 MET CA C 13 55.6 0.10 . 1 . . . . . . . . 4834 1 6 . 1 1 1 1 MET CB C 13 34.4 0.10 . 1 . . . . . . . . 4834 1 7 . 1 1 2 2 LEU H H 1 8.75 0.02 . 1 . . . . . . . . 4834 1 8 . 1 1 2 2 LEU HA H 1 4.74 0.02 . 1 . . . . . . . . 4834 1 9 . 1 1 2 2 LEU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 4834 1 10 . 1 1 2 2 LEU HB3 H 1 1.26 0.02 . 2 . . . . . . . . 4834 1 11 . 1 1 2 2 LEU C C 13 176.5 0.10 . 1 . . . . . . . . 4834 1 12 . 1 1 2 2 LEU CA C 13 54.9 0.10 . 1 . . . . . . . . 4834 1 13 . 1 1 2 2 LEU CB C 13 43.6 0.10 . 1 . . . . . . . . 4834 1 14 . 1 1 2 2 LEU N N 15 125.1 0.10 . 1 . . . . . . . . 4834 1 15 . 1 1 3 3 THR H H 1 9.46 0.02 . 1 . . . . . . . . 4834 1 16 . 1 1 3 3 THR HA H 1 4.83 0.02 . 1 . . . . . . . . 4834 1 17 . 1 1 3 3 THR C C 13 175.6 0.10 . 1 . . . . . . . . 4834 1 18 . 1 1 3 3 THR CA C 13 60.6 0.10 . 1 . . . . . . . . 4834 1 19 . 1 1 3 3 THR CB C 13 71.5 0.10 . 1 . . . . . . . . 4834 1 20 . 1 1 3 3 THR N N 15 111.5 0.10 . 1 . . . . . . . . 4834 1 21 . 1 1 4 4 MET H H 1 8.62 0.02 . 1 . . . . . . . . 4834 1 22 . 1 1 4 4 MET HA H 1 4.64 0.02 . 1 . . . . . . . . 4834 1 23 . 1 1 4 4 MET HB2 H 1 2.32 0.02 . 1 . . . . . . . . 4834 1 24 . 1 1 4 4 MET HB3 H 1 2.32 0.02 . 1 . . . . . . . . 4834 1 25 . 1 1 4 4 MET C C 13 179.7 0.10 . 1 . . . . . . . . 4834 1 26 . 1 1 4 4 MET CA C 13 56.8 0.10 . 1 . . . . . . . . 4834 1 27 . 1 1 4 4 MET CB C 13 29.1 0.10 . 1 . . . . . . . . 4834 1 28 . 1 1 4 4 MET N N 15 114.6 0.10 . 1 . . . . . . . . 4834 1 29 . 1 1 5 5 LYS H H 1 7.83 0.02 . 1 . . . . . . . . 4834 1 30 . 1 1 5 5 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . 4834 1 31 . 1 1 5 5 LYS HB2 H 1 1.83 0.02 . 1 . . . . . . . . 4834 1 32 . 1 1 5 5 LYS HB3 H 1 1.83 0.02 . 1 . . . . . . . . 4834 1 33 . 1 1 5 5 LYS C C 13 177.5 0.10 . 1 . . . . . . . . 4834 1 34 . 1 1 5 5 LYS CA C 13 58.3 0.10 . 1 . . . . . . . . 4834 1 35 . 1 1 5 5 LYS CB C 13 32.2 0.10 . 1 . . . . . . . . 4834 1 36 . 1 1 5 5 LYS N N 15 116.6 0.10 . 1 . . . . . . . . 4834 1 37 . 1 1 6 6 ASP H H 1 7.69 0.02 . 1 . . . . . . . . 4834 1 38 . 1 1 6 6 ASP HA H 1 4.50 0.02 . 1 . . . . . . . . 4834 1 39 . 1 1 6 6 ASP HB2 H 1 2.72 0.02 . 1 . . . . . . . . 4834 1 40 . 1 1 6 6 ASP HB3 H 1 2.72 0.02 . 1 . . . . . . . . 4834 1 41 . 1 1 6 6 ASP C C 13 174.7 0.10 . 1 . . . . . . . . 4834 1 42 . 1 1 6 6 ASP CA C 13 55.5 0.10 . 1 . . . . . . . . 4834 1 43 . 1 1 6 6 ASP CB C 13 44.1 0.10 . 1 . . . . . . . . 4834 1 44 . 1 1 6 6 ASP N N 15 116.9 0.10 . 1 . . . . . . . . 4834 1 45 . 1 1 7 7 ILE H H 1 7.16 0.02 . 1 . . . . . . . . 4834 1 46 . 1 1 7 7 ILE HA H 1 4.57 0.02 . 1 . . . . . . . . 4834 1 47 . 1 1 7 7 ILE HB H 1 2.02 0.02 . 1 . . . . . . . . 4834 1 48 . 1 1 7 7 ILE C C 13 177.9 0.10 . 1 . . . . . . . . 4834 1 49 . 1 1 7 7 ILE CA C 13 59.1 0.10 . 1 . . . . . . . . 4834 1 50 . 1 1 7 7 ILE CB C 13 37.1 0.10 . 1 . . . . . . . . 4834 1 51 . 1 1 7 7 ILE N N 15 118.9 0.10 . 1 . . . . . . . . 4834 1 52 . 1 1 8 8 ILE H H 1 8.85 0.02 . 1 . . . . . . . . 4834 1 53 . 1 1 8 8 ILE HA H 1 4.43 0.02 . 1 . . . . . . . . 4834 1 54 . 1 1 8 8 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 4834 1 55 . 1 1 8 8 ILE C C 13 174.8 0.10 . 1 . . . . . . . . 4834 1 56 . 1 1 8 8 ILE CA C 13 61.7 0.10 . 1 . . . . . . . . 4834 1 57 . 1 1 8 8 ILE CB C 13 37.9 0.10 . 1 . . . . . . . . 4834 1 58 . 1 1 8 8 ILE N N 15 126.4 0.10 . 1 . . . . . . . . 4834 1 59 . 1 1 9 9 ARG H H 1 8.66 0.02 . 1 . . . . . . . . 4834 1 60 . 1 1 9 9 ARG HA H 1 5.20 0.02 . 1 . . . . . . . . 4834 1 61 . 1 1 9 9 ARG HB2 H 1 2.11 0.02 . 2 . . . . . . . . 4834 1 62 . 1 1 9 9 ARG HB3 H 1 1.91 0.02 . 2 . . . . . . . . 4834 1 63 . 1 1 9 9 ARG C C 13 176.3 0.10 . 1 . . . . . . . . 4834 1 64 . 1 1 9 9 ARG CA C 13 52.6 0.10 . 1 . . . . . . . . 4834 1 65 . 1 1 9 9 ARG CB C 13 32.7 0.10 . 1 . . . . . . . . 4834 1 66 . 1 1 9 9 ARG N N 15 118.6 0.10 . 1 . . . . . . . . 4834 1 67 . 1 1 10 10 ASP H H 1 8.35 0.02 . 1 . . . . . . . . 4834 1 68 . 1 1 10 10 ASP HA H 1 4.36 0.02 . 1 . . . . . . . . 4834 1 69 . 1 1 10 10 ASP HB2 H 1 2.87 0.02 . 2 . . . . . . . . 4834 1 70 . 1 1 10 10 ASP HB3 H 1 2.72 0.02 . 2 . . . . . . . . 4834 1 71 . 1 1 10 10 ASP C C 13 175.4 0.10 . 1 . . . . . . . . 4834 1 72 . 1 1 10 10 ASP CA C 13 57.3 0.10 . 1 . . . . . . . . 4834 1 73 . 1 1 10 10 ASP CB C 13 42.8 0.10 . 1 . . . . . . . . 4834 1 74 . 1 1 10 10 ASP N N 15 118.4 0.10 . 1 . . . . . . . . 4834 1 75 . 1 1 11 11 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 4834 1 76 . 1 1 11 11 GLY HA2 H 1 4.64 0.02 . 2 . . . . . . . . 4834 1 77 . 1 1 11 11 GLY HA3 H 1 3.57 0.02 . 2 . . . . . . . . 4834 1 78 . 1 1 11 11 GLY C C 13 175.1 0.10 . 1 . . . . . . . . 4834 1 79 . 1 1 11 11 GLY CA C 13 44.9 0.10 . 1 . . . . . . . . 4834 1 80 . 1 1 11 11 GLY N N 15 116.9 0.10 . 1 . . . . . . . . 4834 1 81 . 1 1 12 12 HIS H H 1 8.62 0.10 . 1 . . . . . . . . 4834 1 82 . 1 1 12 12 HIS CA C 13 56.0 0.10 . 1 . . . . . . . . 4834 1 83 . 1 1 12 12 HIS CB C 13 32.7 0.10 . 1 . . . . . . . . 4834 1 84 . 1 1 12 12 HIS N N 15 125.1 0.10 . 1 . . . . . . . . 4834 1 85 . 1 1 13 13 PRO HA H 1 4.37 0.02 . 1 . . . . . . . . 4834 1 86 . 1 1 13 13 PRO HB2 H 1 2.42 0.02 . 2 . . . . . . . . 4834 1 87 . 1 1 13 13 PRO HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4834 1 88 . 1 1 13 13 PRO C C 13 180.2 0.10 . 1 . . . . . . . . 4834 1 89 . 1 1 13 13 PRO CA C 13 65.1 0.10 . 1 . . . . . . . . 4834 1 90 . 1 1 13 13 PRO CB C 13 32.2 0.10 . 1 . . . . . . . . 4834 1 91 . 1 1 14 14 THR H H 1 11.39 0.02 . 1 . . . . . . . . 4834 1 92 . 1 1 14 14 THR HA H 1 3.92 0.02 . 2 . . . . . . . . 4834 1 93 . 1 1 14 14 THR HB H 1 4.11 0.02 . 2 . . . . . . . . 4834 1 94 . 1 1 14 14 THR C C 13 176.9 0.10 . 1 . . . . . . . . 4834 1 95 . 1 1 14 14 THR CA C 13 66.7 0.10 . 1 . . . . . . . . 4834 1 96 . 1 1 14 14 THR CB C 13 67.7 0.10 . 1 . . . . . . . . 4834 1 97 . 1 1 14 14 THR N N 15 121.3 0.10 . 1 . . . . . . . . 4834 1 98 . 1 1 15 15 LEU H H 1 7.64 0.02 . 1 . . . . . . . . 4834 1 99 . 1 1 15 15 LEU HA H 1 4.18 0.02 . 1 . . . . . . . . 4834 1 100 . 1 1 15 15 LEU HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4834 1 101 . 1 1 15 15 LEU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4834 1 102 . 1 1 15 15 LEU C C 13 177.1 0.10 . 1 . . . . . . . . 4834 1 103 . 1 1 15 15 LEU CA C 13 56.1 0.10 . 1 . . . . . . . . 4834 1 104 . 1 1 15 15 LEU CB C 13 41.8 0.10 . 1 . . . . . . . . 4834 1 105 . 1 1 15 15 LEU N N 15 117.3 0.10 . 1 . . . . . . . . 4834 1 106 . 1 1 16 16 ARG H H 1 7.35 0.02 . 1 . . . . . . . . 4834 1 107 . 1 1 16 16 ARG HA H 1 4.70 0.02 . 1 . . . . . . . . 4834 1 108 . 1 1 16 16 ARG HB2 H 1 2.29 0.02 . 2 . . . . . . . . 4834 1 109 . 1 1 16 16 ARG HB3 H 1 1.71 0.02 . 2 . . . . . . . . 4834 1 110 . 1 1 16 16 ARG C C 13 175.8 0.10 . 1 . . . . . . . . 4834 1 111 . 1 1 16 16 ARG CA C 13 53.2 0.10 . 1 . . . . . . . . 4834 1 112 . 1 1 16 16 ARG CB C 13 31.7 0.10 . 1 . . . . . . . . 4834 1 113 . 1 1 16 16 ARG N N 15 113.8 0.10 . 1 . . . . . . . . 4834 1 114 . 1 1 17 17 GLN H H 1 7.01 0.02 . 1 . . . . . . . . 4834 1 115 . 1 1 17 17 GLN HA H 1 4.50 0.02 . 1 . . . . . . . . 4834 1 116 . 1 1 17 17 GLN HB2 H 1 2.10 0.02 . 1 . . . . . . . . 4834 1 117 . 1 1 17 17 GLN HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4834 1 118 . 1 1 17 17 GLN C C 13 174.8 0.10 . 1 . . . . . . . . 4834 1 119 . 1 1 17 17 GLN CA C 13 54.5 0.10 . 1 . . . . . . . . 4834 1 120 . 1 1 17 17 GLN CB C 13 30.2 0.10 . 1 . . . . . . . . 4834 1 121 . 1 1 17 17 GLN N N 15 119.5 0.10 . 1 . . . . . . . . 4834 1 122 . 1 1 18 18 LYS H H 1 8.47 0.02 . 1 . . . . . . . . 4834 1 123 . 1 1 18 18 LYS HA H 1 4.24 0.02 . 1 . . . . . . . . 4834 1 124 . 1 1 18 18 LYS HB2 H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 125 . 1 1 18 18 LYS HB3 H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 126 . 1 1 18 18 LYS C C 13 175.6 0.10 . 1 . . . . . . . . 4834 1 127 . 1 1 18 18 LYS CA C 13 56.1 0.10 . 1 . . . . . . . . 4834 1 128 . 1 1 18 18 LYS CB C 13 32.0 0.10 . 1 . . . . . . . . 4834 1 129 . 1 1 18 18 LYS N N 15 121.7 0.10 . 1 . . . . . . . . 4834 1 130 . 1 1 19 19 ALA H H 1 8.48 0.02 . 1 . . . . . . . . 4834 1 131 . 1 1 19 19 ALA HA H 1 4.37 0.02 . 1 . . . . . . . . 4834 1 132 . 1 1 19 19 ALA HB1 H 1 1.25 0.02 . 1 . . . . . . . . 4834 1 133 . 1 1 19 19 ALA HB2 H 1 1.25 0.02 . 1 . . . . . . . . 4834 1 134 . 1 1 19 19 ALA HB3 H 1 1.25 0.02 . 1 . . . . . . . . 4834 1 135 . 1 1 19 19 ALA C C 13 177.3 0.10 . 1 . . . . . . . . 4834 1 136 . 1 1 19 19 ALA CA C 13 51.6 0.10 . 1 . . . . . . . . 4834 1 137 . 1 1 19 19 ALA CB C 13 20.6 0.10 . 1 . . . . . . . . 4834 1 138 . 1 1 19 19 ALA N N 15 128.4 0.10 . 1 . . . . . . . . 4834 1 139 . 1 1 20 20 ALA H H 1 7.76 0.02 . 1 . . . . . . . . 4834 1 140 . 1 1 20 20 ALA HA H 1 4.50 0.02 . 1 . . . . . . . . 4834 1 141 . 1 1 20 20 ALA HB1 H 1 1.58 0.02 . 1 . . . . . . . . 4834 1 142 . 1 1 20 20 ALA HB2 H 1 1.58 0.02 . 1 . . . . . . . . 4834 1 143 . 1 1 20 20 ALA HB3 H 1 1.58 0.02 . 1 . . . . . . . . 4834 1 144 . 1 1 20 20 ALA C C 13 178.3 0.10 . 1 . . . . . . . . 4834 1 145 . 1 1 20 20 ALA CA C 13 52.5 0.10 . 1 . . . . . . . . 4834 1 146 . 1 1 20 20 ALA CB C 13 20.6 0.10 . 1 . . . . . . . . 4834 1 147 . 1 1 20 20 ALA N N 15 125.5 0.10 . 1 . . . . . . . . 4834 1 148 . 1 1 21 21 GLU H H 1 8.76 0.02 . 1 . . . . . . . . 4834 1 149 . 1 1 21 21 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 4834 1 150 . 1 1 21 21 GLU HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4834 1 151 . 1 1 21 21 GLU HB3 H 1 1.97 0.02 . 1 . . . . . . . . 4834 1 152 . 1 1 21 21 GLU C C 13 176.2 0.10 . 1 . . . . . . . . 4834 1 153 . 1 1 21 21 GLU CA C 13 57.1 0.10 . 1 . . . . . . . . 4834 1 154 . 1 1 21 21 GLU CB C 13 30.5 0.10 . 1 . . . . . . . . 4834 1 155 . 1 1 21 21 GLU N N 15 123.1 0.10 . 1 . . . . . . . . 4834 1 156 . 1 1 22 22 LEU H H 1 9.84 0.02 . 1 . . . . . . . . 4834 1 157 . 1 1 22 22 LEU HA H 1 4.50 0.02 . 1 . . . . . . . . 4834 1 158 . 1 1 22 22 LEU HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4834 1 159 . 1 1 22 22 LEU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4834 1 160 . 1 1 22 22 LEU C C 13 178.2 0.10 . 1 . . . . . . . . 4834 1 161 . 1 1 22 22 LEU CA C 13 53.5 0.10 . 1 . . . . . . . . 4834 1 162 . 1 1 22 22 LEU CB C 13 41.1 0.10 . 1 . . . . . . . . 4834 1 163 . 1 1 22 22 LEU N N 15 127.7 0.10 . 1 . . . . . . . . 4834 1 164 . 1 1 23 23 GLU H H 1 8.47 0.02 . 1 . . . . . . . . 4834 1 165 . 1 1 23 23 GLU HA H 1 4.31 0.02 . 1 . . . . . . . . 4834 1 166 . 1 1 23 23 GLU HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4834 1 167 . 1 1 23 23 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4834 1 168 . 1 1 23 23 GLU C C 13 174.3 0.10 . 1 . . . . . . . . 4834 1 169 . 1 1 23 23 GLU CA C 13 55.6 0.10 . 1 . . . . . . . . 4834 1 170 . 1 1 23 23 GLU CB C 13 30.2 0.10 . 1 . . . . . . . . 4834 1 171 . 1 1 23 23 GLU N N 15 122.2 0.10 . 1 . . . . . . . . 4834 1 172 . 1 1 24 24 LEU H H 1 8.14 0.02 . 1 . . . . . . . . 4834 1 173 . 1 1 24 24 LEU CA C 13 51.2 0.10 . 1 . . . . . . . . 4834 1 174 . 1 1 24 24 LEU CB C 13 41.1 0.10 . 1 . . . . . . . . 4834 1 175 . 1 1 24 24 LEU N N 15 122.2 0.10 . 1 . . . . . . . . 4834 1 176 . 1 1 25 25 PRO HA H 1 4.44 0.02 . 1 . . . . . . . . 4834 1 177 . 1 1 25 25 PRO HB2 H 1 2.49 0.02 . 2 . . . . . . . . 4834 1 178 . 1 1 25 25 PRO HB3 H 1 2.10 0.02 . 2 . . . . . . . . 4834 1 179 . 1 1 25 25 PRO C C 13 175.6 0.10 . 1 . . . . . . . . 4834 1 180 . 1 1 25 25 PRO CA C 13 62.0 0.10 . 1 . . . . . . . . 4834 1 181 . 1 1 25 25 PRO CB C 13 34.6 0.10 . 1 . . . . . . . . 4834 1 182 . 1 1 26 26 LEU H H 1 8.47 0.02 . 1 . . . . . . . . 4834 1 183 . 1 1 26 26 LEU HA H 1 4.50 0.02 . 1 . . . . . . . . 4834 1 184 . 1 1 26 26 LEU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 4834 1 185 . 1 1 26 26 LEU HB3 H 1 1.64 0.02 . 2 . . . . . . . . 4834 1 186 . 1 1 26 26 LEU C C 13 179.0 0.10 . 1 . . . . . . . . 4834 1 187 . 1 1 26 26 LEU CA C 13 55.0 0.10 . 1 . . . . . . . . 4834 1 188 . 1 1 26 26 LEU CB C 13 43.4 0.10 . 1 . . . . . . . . 4834 1 189 . 1 1 26 26 LEU N N 15 119.7 0.10 . 1 . . . . . . . . 4834 1 190 . 1 1 27 27 THR H H 1 9.06 0.02 . 1 . . . . . . . . 4834 1 191 . 1 1 27 27 THR HA H 1 4.96 0.02 . 1 . . . . . . . . 4834 1 192 . 1 1 27 27 THR HB H 1 3.40 0.02 . 1 . . . . . . . . 4834 1 193 . 1 1 27 27 THR C C 13 175.4 0.10 . 1 . . . . . . . . 4834 1 194 . 1 1 27 27 THR CA C 13 60.7 0.10 . 1 . . . . . . . . 4834 1 195 . 1 1 27 27 THR CB C 13 71.3 0.10 . 1 . . . . . . . . 4834 1 196 . 1 1 27 27 THR N N 15 112.4 0.10 . 1 . . . . . . . . 4834 1 197 . 1 1 28 28 LYS H H 1 8.79 0.02 . 1 . . . . . . . . 4834 1 198 . 1 1 28 28 LYS HA H 1 3.97 0.02 . 1 . . . . . . . . 4834 1 199 . 1 1 28 28 LYS HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4834 1 200 . 1 1 28 28 LYS HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4834 1 201 . 1 1 28 28 LYS C C 13 178.3 0.10 . 1 . . . . . . . . 4834 1 202 . 1 1 28 28 LYS CA C 13 60.2 0.10 . 1 . . . . . . . . 4834 1 203 . 1 1 28 28 LYS CB C 13 32.2 0.10 . 1 . . . . . . . . 4834 1 204 . 1 1 28 28 LYS N N 15 121.3 0.10 . 1 . . . . . . . . 4834 1 205 . 1 1 29 29 GLU H H 1 8.53 0.02 . 1 . . . . . . . . 4834 1 206 . 1 1 29 29 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 4834 1 207 . 1 1 29 29 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 4834 1 208 . 1 1 29 29 GLU HB3 H 1 1.96 0.02 . 2 . . . . . . . . 4834 1 209 . 1 1 29 29 GLU C C 13 180.2 0.10 . 1 . . . . . . . . 4834 1 210 . 1 1 29 29 GLU CA C 13 60.1 0.10 . 1 . . . . . . . . 4834 1 211 . 1 1 29 29 GLU CB C 13 29.3 0.10 . 1 . . . . . . . . 4834 1 212 . 1 1 29 29 GLU N N 15 116.4 0.10 . 1 . . . . . . . . 4834 1 213 . 1 1 30 30 GLU H H 1 7.97 0.02 . 1 . . . . . . . . 4834 1 214 . 1 1 30 30 GLU HA H 1 5.22 0.02 . 1 . . . . . . . . 4834 1 215 . 1 1 30 30 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 4834 1 216 . 1 1 30 30 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4834 1 217 . 1 1 30 30 GLU C C 13 178.2 0.10 . 1 . . . . . . . . 4834 1 218 . 1 1 30 30 GLU CA C 13 59.4 0.10 . 1 . . . . . . . . 4834 1 219 . 1 1 30 30 GLU CB C 13 29.7 0.10 . 1 . . . . . . . . 4834 1 220 . 1 1 30 30 GLU N N 15 122.4 0.10 . 1 . . . . . . . . 4834 1 221 . 1 1 31 31 LYS H H 1 8.38 0.02 . 1 . . . . . . . . 4834 1 222 . 1 1 31 31 LYS HA H 1 3.85 0.02 . 1 . . . . . . . . 4834 1 223 . 1 1 31 31 LYS HB2 H 1 1.84 0.02 . 1 . . . . . . . . 4834 1 224 . 1 1 31 31 LYS HB3 H 1 1.84 0.02 . 1 . . . . . . . . 4834 1 225 . 1 1 31 31 LYS C C 13 178.2 0.10 . 1 . . . . . . . . 4834 1 226 . 1 1 31 31 LYS CA C 13 60.7 0.10 . 1 . . . . . . . . 4834 1 227 . 1 1 31 31 LYS CB C 13 32.3 0.10 . 1 . . . . . . . . 4834 1 228 . 1 1 31 31 LYS N N 15 118.4 0.10 . 1 . . . . . . . . 4834 1 229 . 1 1 32 32 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 4834 1 230 . 1 1 32 32 GLU HA H 1 3.85 0.02 . 1 . . . . . . . . 4834 1 231 . 1 1 32 32 GLU HB2 H 1 2.16 0.02 . 2 . . . . . . . . 4834 1 232 . 1 1 32 32 GLU HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4834 1 233 . 1 1 32 32 GLU C C 13 179.9 0.10 . 1 . . . . . . . . 4834 1 234 . 1 1 32 32 GLU CA C 13 59.4 0.10 . 1 . . . . . . . . 4834 1 235 . 1 1 32 32 GLU CB C 13 28.6 0.10 . 1 . . . . . . . . 4834 1 236 . 1 1 32 32 GLU N N 15 115.3 0.10 . 1 . . . . . . . . 4834 1 237 . 1 1 33 33 THR H H 1 8.06 0.02 . 1 . . . . . . . . 4834 1 238 . 1 1 33 33 THR HA H 1 3.85 0.02 . 1 . . . . . . . . 4834 1 239 . 1 1 33 33 THR C C 13 174.8 0.10 . 1 . . . . . . . . 4834 1 240 . 1 1 33 33 THR CA C 13 66.9 0.10 . 1 . . . . . . . . 4834 1 241 . 1 1 33 33 THR CB C 13 68.2 0.10 . 1 . . . . . . . . 4834 1 242 . 1 1 33 33 THR N N 15 118.2 0.10 . 1 . . . . . . . . 4834 1 243 . 1 1 34 34 LEU H H 1 7.76 0.02 . 1 . . . . . . . . 4834 1 244 . 1 1 34 34 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 4834 1 245 . 1 1 34 34 LEU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 4834 1 246 . 1 1 34 34 LEU HB3 H 1 1.84 0.02 . 2 . . . . . . . . 4834 1 247 . 1 1 34 34 LEU C C 13 178.6 0.10 . 1 . . . . . . . . 4834 1 248 . 1 1 34 34 LEU CA C 13 58.1 0.10 . 1 . . . . . . . . 4834 1 249 . 1 1 34 34 LEU CB C 13 41.3 0.10 . 1 . . . . . . . . 4834 1 250 . 1 1 34 34 LEU N N 15 124.6 0.10 . 1 . . . . . . . . 4834 1 251 . 1 1 35 35 ILE H H 1 8.14 0.02 . 1 . . . . . . . . 4834 1 252 . 1 1 35 35 ILE HA H 1 3.92 0.02 . 1 . . . . . . . . 4834 1 253 . 1 1 35 35 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 254 . 1 1 35 35 ILE C C 13 179.2 0.10 . 1 . . . . . . . . 4834 1 255 . 1 1 35 35 ILE CA C 13 65.1 0.10 . 1 . . . . . . . . 4834 1 256 . 1 1 35 35 ILE CB C 13 37.8 0.10 . 1 . . . . . . . . 4834 1 257 . 1 1 35 35 ILE N N 15 118.6 0.10 . 1 . . . . . . . . 4834 1 258 . 1 1 36 36 ALA H H 1 8.11 0.02 . 1 . . . . . . . . 4834 1 259 . 1 1 36 36 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 4834 1 260 . 1 1 36 36 ALA HB1 H 1 1.58 0.02 . 1 . . . . . . . . 4834 1 261 . 1 1 36 36 ALA HB2 H 1 1.58 0.02 . 1 . . . . . . . . 4834 1 262 . 1 1 36 36 ALA HB3 H 1 1.58 0.02 . 1 . . . . . . . . 4834 1 263 . 1 1 36 36 ALA C C 13 181.2 0.10 . 1 . . . . . . . . 4834 1 264 . 1 1 36 36 ALA CA C 13 54.8 0.10 . 1 . . . . . . . . 4834 1 265 . 1 1 36 36 ALA CB C 13 17.9 0.10 . 1 . . . . . . . . 4834 1 266 . 1 1 36 36 ALA N N 15 122.8 0.10 . 1 . . . . . . . . 4834 1 267 . 1 1 37 37 MET H H 1 8.47 0.02 . 1 . . . . . . . . 4834 1 268 . 1 1 37 37 MET HA H 1 3.79 0.02 . 1 . . . . . . . . 4834 1 269 . 1 1 37 37 MET HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4834 1 270 . 1 1 37 37 MET HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4834 1 271 . 1 1 37 37 MET C C 13 176.8 0.10 . 1 . . . . . . . . 4834 1 272 . 1 1 37 37 MET CA C 13 59.4 0.10 . 1 . . . . . . . . 4834 1 273 . 1 1 37 37 MET CB C 13 33.3 0.10 . 1 . . . . . . . . 4834 1 274 . 1 1 37 37 MET N N 15 121.3 0.10 . 1 . . . . . . . . 4834 1 275 . 1 1 38 38 ARG H H 1 7.79 0.02 . 1 . . . . . . . . 4834 1 276 . 1 1 38 38 ARG HA H 1 3.79 0.02 . 1 . . . . . . . . 4834 1 277 . 1 1 38 38 ARG HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4834 1 278 . 1 1 38 38 ARG HB3 H 1 1.71 0.02 . 2 . . . . . . . . 4834 1 279 . 1 1 38 38 ARG C C 13 177.5 0.10 . 1 . . . . . . . . 4834 1 280 . 1 1 38 38 ARG CA C 13 60.1 0.10 . 1 . . . . . . . . 4834 1 281 . 1 1 38 38 ARG CB C 13 29.2 0.10 . 1 . . . . . . . . 4834 1 282 . 1 1 38 38 ARG N N 15 118.9 0.10 . 1 . . . . . . . . 4834 1 283 . 1 1 39 39 GLU H H 1 8.63 0.02 . 1 . . . . . . . . 4834 1 284 . 1 1 39 39 GLU HA H 1 3.79 0.02 . 1 . . . . . . . . 4834 1 285 . 1 1 39 39 GLU HB2 H 1 2.16 0.02 . 1 . . . . . . . . 4834 1 286 . 1 1 39 39 GLU HB3 H 1 2.16 0.02 . 1 . . . . . . . . 4834 1 287 . 1 1 39 39 GLU C C 13 177.5 0.10 . 1 . . . . . . . . 4834 1 288 . 1 1 39 39 GLU CA C 13 59.2 0.10 . 1 . . . . . . . . 4834 1 289 . 1 1 39 39 GLU CB C 13 30.3 0.10 . 1 . . . . . . . . 4834 1 290 . 1 1 39 39 GLU N N 15 119.0 0.10 . 1 . . . . . . . . 4834 1 291 . 1 1 40 40 PHE H H 1 7.99 0.02 . 1 . . . . . . . . 4834 1 292 . 1 1 40 40 PHE HA H 1 4.50 0.02 . 1 . . . . . . . . 4834 1 293 . 1 1 40 40 PHE HB2 H 1 3.40 0.02 . 2 . . . . . . . . 4834 1 294 . 1 1 40 40 PHE HB3 H 1 2.98 0.02 . 2 . . . . . . . . 4834 1 295 . 1 1 40 40 PHE C C 13 176.9 0.10 . 1 . . . . . . . . 4834 1 296 . 1 1 40 40 PHE CA C 13 61.4 0.10 . 1 . . . . . . . . 4834 1 297 . 1 1 40 40 PHE CB C 13 38.5 0.10 . 1 . . . . . . . . 4834 1 298 . 1 1 40 40 PHE N N 15 118.9 0.10 . 1 . . . . . . . . 4834 1 299 . 1 1 41 41 LEU H H 1 7.55 0.02 . 1 . . . . . . . . 4834 1 300 . 1 1 41 41 LEU HA H 1 3.91 0.02 . 1 . . . . . . . . 4834 1 301 . 1 1 41 41 LEU HB2 H 1 2.17 0.02 . 2 . . . . . . . . 4834 1 302 . 1 1 41 41 LEU HB3 H 1 1.25 0.02 . 2 . . . . . . . . 4834 1 303 . 1 1 41 41 LEU C C 13 179.9 0.10 . 1 . . . . . . . . 4834 1 304 . 1 1 41 41 LEU CA C 13 57.7 0.10 . 1 . . . . . . . . 4834 1 305 . 1 1 41 41 LEU CB C 13 41.3 0.10 . 1 . . . . . . . . 4834 1 306 . 1 1 41 41 LEU N N 15 119.8 0.10 . 1 . . . . . . . . 4834 1 307 . 1 1 42 42 VAL H H 1 8.37 0.02 . 1 . . . . . . . . 4834 1 308 . 1 1 42 42 VAL HA H 1 3.20 0.02 . 1 . . . . . . . . 4834 1 309 . 1 1 42 42 VAL HB H 1 2.09 0.02 . 1 . . . . . . . . 4834 1 310 . 1 1 42 42 VAL C C 13 179.4 0.10 . 1 . . . . . . . . 4834 1 311 . 1 1 42 42 VAL CA C 13 66.4 0.10 . 1 . . . . . . . . 4834 1 312 . 1 1 42 42 VAL CB C 13 32.3 0.10 . 1 . . . . . . . . 4834 1 313 . 1 1 42 42 VAL N N 15 120.2 0.10 . 1 . . . . . . . . 4834 1 314 . 1 1 43 43 ASN H H 1 8.55 0.02 . 1 . . . . . . . . 4834 1 315 . 1 1 43 43 ASN HA H 1 4.25 0.02 . 1 . . . . . . . . 4834 1 316 . 1 1 43 43 ASN HB2 H 1 2.75 0.02 . 2 . . . . . . . . 4834 1 317 . 1 1 43 43 ASN HB3 H 1 2.18 0.02 . 2 . . . . . . . . 4834 1 318 . 1 1 43 43 ASN C C 13 176.9 0.10 . 1 . . . . . . . . 4834 1 319 . 1 1 43 43 ASN CA C 13 55.5 0.10 . 1 . . . . . . . . 4834 1 320 . 1 1 43 43 ASN CB C 13 37.6 0.10 . 1 . . . . . . . . 4834 1 321 . 1 1 43 43 ASN N N 15 119.0 0.10 . 1 . . . . . . . . 4834 1 322 . 1 1 44 44 SER H H 1 8.72 0.02 . 1 . . . . . . . . 4834 1 323 . 1 1 44 44 SER HA H 1 4.11 0.02 . 1 . . . . . . . . 4834 1 324 . 1 1 44 44 SER HB2 H 1 3.60 0.02 . 2 . . . . . . . . 4834 1 325 . 1 1 44 44 SER HB3 H 1 3.33 0.02 . 2 . . . . . . . . 4834 1 326 . 1 1 44 44 SER C C 13 174.1 0.10 . 1 . . . . . . . . 4834 1 327 . 1 1 44 44 SER CA C 13 61.4 0.10 . 1 . . . . . . . . 4834 1 328 . 1 1 44 44 SER N N 15 114.7 0.10 . 1 . . . . . . . . 4834 1 329 . 1 1 45 45 GLN H H 1 7.20 0.02 . 1 . . . . . . . . 4834 1 330 . 1 1 45 45 GLN HA H 1 4.76 0.02 . 1 . . . . . . . . 4834 1 331 . 1 1 45 45 GLN HB2 H 1 2.39 0.02 . 2 . . . . . . . . 4834 1 332 . 1 1 45 45 GLN HB3 H 1 1.74 0.02 . 2 . . . . . . . . 4834 1 333 . 1 1 45 45 GLN C C 13 175.3 0.10 . 1 . . . . . . . . 4834 1 334 . 1 1 45 45 GLN CA C 13 56.0 0.10 . 1 . . . . . . . . 4834 1 335 . 1 1 45 45 GLN CB C 13 29.1 0.10 . 1 . . . . . . . . 4834 1 336 . 1 1 45 45 GLN N N 15 119.7 0.10 . 1 . . . . . . . . 4834 1 337 . 1 1 46 46 ASP H H 1 7.41 0.02 . 1 . . . . . . . . 4834 1 338 . 1 1 46 46 ASP HA H 1 4.76 0.02 . 1 . . . . . . . . 4834 1 339 . 1 1 46 46 ASP HB2 H 1 3.20 0.02 . 2 . . . . . . . . 4834 1 340 . 1 1 46 46 ASP HB3 H 1 2.55 0.02 . 2 . . . . . . . . 4834 1 341 . 1 1 46 46 ASP C C 13 175.1 0.10 . 1 . . . . . . . . 4834 1 342 . 1 1 46 46 ASP CA C 13 53.1 0.10 . 1 . . . . . . . . 4834 1 343 . 1 1 46 46 ASP CB C 13 42.4 0.10 . 1 . . . . . . . . 4834 1 344 . 1 1 46 46 ASP N N 15 123.8 0.10 . 1 . . . . . . . . 4834 1 345 . 1 1 47 47 GLU H H 1 8.78 0.02 . 1 . . . . . . . . 4834 1 346 . 1 1 47 47 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 4834 1 347 . 1 1 47 47 GLU HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4834 1 348 . 1 1 47 47 GLU HB3 H 1 1.97 0.02 . 1 . . . . . . . . 4834 1 349 . 1 1 47 47 GLU C C 13 179.2 0.10 . 1 . . . . . . . . 4834 1 350 . 1 1 47 47 GLU CA C 13 60.3 0.10 . 1 . . . . . . . . 4834 1 351 . 1 1 47 47 GLU CB C 13 30.3 0.10 . 1 . . . . . . . . 4834 1 352 . 1 1 47 47 GLU N N 15 125.6 0.10 . 1 . . . . . . . . 4834 1 353 . 1 1 48 48 GLU H H 1 7.76 0.02 . 1 . . . . . . . . 4834 1 354 . 1 1 48 48 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 4834 1 355 . 1 1 48 48 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 4834 1 356 . 1 1 48 48 GLU HB3 H 1 1.77 0.02 . 2 . . . . . . . . 4834 1 357 . 1 1 48 48 GLU C C 13 175.7 0.10 . 1 . . . . . . . . 4834 1 358 . 1 1 48 48 GLU CA C 13 59.1 0.10 . 1 . . . . . . . . 4834 1 359 . 1 1 48 48 GLU CB C 13 29.6 0.10 . 1 . . . . . . . . 4834 1 360 . 1 1 48 48 GLU N N 15 120.2 0.10 . 1 . . . . . . . . 4834 1 361 . 1 1 49 49 ILE H H 1 8.26 0.02 . 1 . . . . . . . . 4834 1 362 . 1 1 49 49 ILE HA H 1 3.66 0.02 . 1 . . . . . . . . 4834 1 363 . 1 1 49 49 ILE HB H 1 2.23 0.02 . 1 . . . . . . . . 4834 1 364 . 1 1 49 49 ILE C C 13 178.1 0.10 . 1 . . . . . . . . 4834 1 365 . 1 1 49 49 ILE CA C 13 64.6 0.10 . 1 . . . . . . . . 4834 1 366 . 1 1 49 49 ILE CB C 13 36.7 0.10 . 1 . . . . . . . . 4834 1 367 . 1 1 49 49 ILE N N 15 123.1 0.10 . 1 . . . . . . . . 4834 1 368 . 1 1 50 50 ALA H H 1 9.29 0.02 . 1 . . . . . . . . 4834 1 369 . 1 1 50 50 ALA HA H 1 4.18 0.02 . 1 . . . . . . . . 4834 1 370 . 1 1 50 50 ALA HB1 H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 371 . 1 1 50 50 ALA HB2 H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 372 . 1 1 50 50 ALA HB3 H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 373 . 1 1 50 50 ALA C C 13 181.5 0.10 . 1 . . . . . . . . 4834 1 374 . 1 1 50 50 ALA CA C 13 56.1 0.10 . 1 . . . . . . . . 4834 1 375 . 1 1 50 50 ALA CB C 13 18.2 0.10 . 1 . . . . . . . . 4834 1 376 . 1 1 50 50 ALA N N 15 122.4 0.10 . 1 . . . . . . . . 4834 1 377 . 1 1 51 51 LYS H H 1 7.70 0.02 . 1 . . . . . . . . 4834 1 378 . 1 1 51 51 LYS HA H 1 3.98 0.02 . 1 . . . . . . . . 4834 1 379 . 1 1 51 51 LYS HB2 H 1 2.10 0.02 . 2 . . . . . . . . 4834 1 380 . 1 1 51 51 LYS HB3 H 1 1.84 0.02 . 2 . . . . . . . . 4834 1 381 . 1 1 51 51 LYS C C 13 178.5 0.10 . 1 . . . . . . . . 4834 1 382 . 1 1 51 51 LYS CA C 13 58.9 0.10 . 1 . . . . . . . . 4834 1 383 . 1 1 51 51 LYS CB C 13 32.3 0.10 . 1 . . . . . . . . 4834 1 384 . 1 1 51 51 LYS N N 15 115.6 0.10 . 1 . . . . . . . . 4834 1 385 . 1 1 52 52 ARG H H 1 8.09 0.02 . 1 . . . . . . . . 4834 1 386 . 1 1 52 52 ARG HA H 1 3.92 0.02 . 1 . . . . . . . . 4834 1 387 . 1 1 52 52 ARG HB2 H 1 1.84 0.02 . 2 . . . . . . . . 4834 1 388 . 1 1 52 52 ARG HB3 H 1 1.64 0.02 . 2 . . . . . . . . 4834 1 389 . 1 1 52 52 ARG C C 13 178.2 0.10 . 1 . . . . . . . . 4834 1 390 . 1 1 52 52 ARG CA C 13 58.9 0.10 . 1 . . . . . . . . 4834 1 391 . 1 1 52 52 ARG CB C 13 29.9 0.10 . 1 . . . . . . . . 4834 1 392 . 1 1 52 52 ARG N N 15 116.9 0.10 . 1 . . . . . . . . 4834 1 393 . 1 1 53 53 TYR H H 1 7.83 0.02 . 1 . . . . . . . . 4834 1 394 . 1 1 53 53 TYR HA H 1 4.77 0.02 . 1 . . . . . . . . 4834 1 395 . 1 1 53 53 TYR HB2 H 1 3.40 0.02 . 2 . . . . . . . . 4834 1 396 . 1 1 53 53 TYR HB3 H 1 2.49 0.02 . 2 . . . . . . . . 4834 1 397 . 1 1 53 53 TYR C C 13 175.5 0.10 . 1 . . . . . . . . 4834 1 398 . 1 1 53 53 TYR CA C 13 57.6 0.10 . 1 . . . . . . . . 4834 1 399 . 1 1 53 53 TYR CB C 13 38.7 0.10 . 1 . . . . . . . . 4834 1 400 . 1 1 53 53 TYR N N 15 112.2 0.10 . 1 . . . . . . . . 4834 1 401 . 1 1 54 54 GLY H H 1 7.88 0.02 . 1 . . . . . . . . 4834 1 402 . 1 1 54 54 GLY HA2 H 1 4.05 0.02 . 1 . . . . . . . . 4834 1 403 . 1 1 54 54 GLY HA3 H 1 4.05 0.02 . 1 . . . . . . . . 4834 1 404 . 1 1 54 54 GLY C C 13 175.5 0.10 . 1 . . . . . . . . 4834 1 405 . 1 1 54 54 GLY CA C 13 47.3 0.10 . 1 . . . . . . . . 4834 1 406 . 1 1 54 54 GLY N N 15 112.0 0.10 . 1 . . . . . . . . 4834 1 407 . 1 1 55 55 LEU H H 1 8.79 0.02 . 1 . . . . . . . . 4834 1 408 . 1 1 55 55 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 4834 1 409 . 1 1 55 55 LEU HB2 H 1 1.51 0.02 . 2 . . . . . . . . 4834 1 410 . 1 1 55 55 LEU HB3 H 1 1.12 0.02 . 2 . . . . . . . . 4834 1 411 . 1 1 55 55 LEU C C 13 175.9 0.10 . 1 . . . . . . . . 4834 1 412 . 1 1 55 55 LEU CA C 13 53.0 0.10 . 1 . . . . . . . . 4834 1 413 . 1 1 55 55 LEU CB C 13 41.6 0.10 . 1 . . . . . . . . 4834 1 414 . 1 1 55 55 LEU N N 15 116.4 0.10 . 1 . . . . . . . . 4834 1 415 . 1 1 56 56 ARG H H 1 7.24 0.02 . 1 . . . . . . . . 4834 1 416 . 1 1 56 56 ARG HA H 1 4.50 0.02 . 1 . . . . . . . . 4834 1 417 . 1 1 56 56 ARG HB2 H 1 1.84 0.02 . 1 . . . . . . . . 4834 1 418 . 1 1 56 56 ARG HB3 H 1 1.84 0.02 . 1 . . . . . . . . 4834 1 419 . 1 1 56 56 ARG C C 13 174.0 0.10 . 1 . . . . . . . . 4834 1 420 . 1 1 56 56 ARG CA C 13 54.8 0.10 . 1 . . . . . . . . 4834 1 421 . 1 1 56 56 ARG CB C 13 32.3 0.10 . 1 . . . . . . . . 4834 1 422 . 1 1 56 56 ARG N N 15 123.3 0.10 . 1 . . . . . . . . 4834 1 423 . 1 1 57 57 SER H H 1 8.03 0.02 . 1 . . . . . . . . 4834 1 424 . 1 1 57 57 SER HA H 1 4.05 0.02 . 1 . . . . . . . . 4834 1 425 . 1 1 57 57 SER HB2 H 1 3.79 0.02 . 1 . . . . . . . . 4834 1 426 . 1 1 57 57 SER HB3 H 1 3.79 0.02 . 1 . . . . . . . . 4834 1 427 . 1 1 57 57 SER C C 13 174.9 0.10 . 1 . . . . . . . . 4834 1 428 . 1 1 57 57 SER CA C 13 58.9 0.10 . 1 . . . . . . . . 4834 1 429 . 1 1 57 57 SER CB C 13 64.1 0.10 . 1 . . . . . . . . 4834 1 430 . 1 1 57 57 SER N N 15 115.5 0.10 . 1 . . . . . . . . 4834 1 431 . 1 1 58 58 GLY H H 1 8.11 0.02 . 1 . . . . . . . . 4834 1 432 . 1 1 58 58 GLY HA2 H 1 4.63 0.02 . 2 . . . . . . . . 4834 1 433 . 1 1 58 58 GLY HA3 H 1 3.72 0.02 . 2 . . . . . . . . 4834 1 434 . 1 1 58 58 GLY C C 13 171.7 0.10 . 1 . . . . . . . . 4834 1 435 . 1 1 58 58 GLY CA C 13 44.5 0.10 . 1 . . . . . . . . 4834 1 436 . 1 1 58 58 GLY N N 15 111.1 0.10 . 1 . . . . . . . . 4834 1 437 . 1 1 59 59 VAL H H 1 8.03 0.02 . 1 . . . . . . . . 4834 1 438 . 1 1 59 59 VAL HA H 1 4.70 0.02 . 1 . . . . . . . . 4834 1 439 . 1 1 59 59 VAL HB H 1 2.36 0.02 . 1 . . . . . . . . 4834 1 440 . 1 1 59 59 VAL C C 13 173.9 0.10 . 1 . . . . . . . . 4834 1 441 . 1 1 59 59 VAL CA C 13 60.7 0.10 . 1 . . . . . . . . 4834 1 442 . 1 1 59 59 VAL CB C 13 32.3 0.10 . 1 . . . . . . . . 4834 1 443 . 1 1 59 59 VAL N N 15 108.2 0.10 . 1 . . . . . . . . 4834 1 444 . 1 1 60 60 GLY H H 1 7.33 0.02 . 1 . . . . . . . . 4834 1 445 . 1 1 60 60 GLY HA2 H 1 4.96 0.02 . 1 . . . . . . . . 4834 1 446 . 1 1 60 60 GLY HA3 H 1 3.40 0.02 . 1 . . . . . . . . 4834 1 447 . 1 1 60 60 GLY C C 13 170.5 0.10 . 1 . . . . . . . . 4834 1 448 . 1 1 60 60 GLY CA C 13 44.2 0.10 . 1 . . . . . . . . 4834 1 449 . 1 1 60 60 GLY N N 15 108.0 0.10 . 1 . . . . . . . . 4834 1 450 . 1 1 61 61 LEU H H 1 8.69 0.02 . 1 . . . . . . . . 4834 1 451 . 1 1 61 61 LEU HA H 1 4.50 0.02 . 1 . . . . . . . . 4834 1 452 . 1 1 61 61 LEU HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4834 1 453 . 1 1 61 61 LEU HB3 H 1 1.38 0.02 . 2 . . . . . . . . 4834 1 454 . 1 1 61 61 LEU C C 13 173.3 0.10 . 1 . . . . . . . . 4834 1 455 . 1 1 61 61 LEU CA C 13 54.8 0.10 . 1 . . . . . . . . 4834 1 456 . 1 1 61 61 LEU CB C 13 47.5 0.10 . 1 . . . . . . . . 4834 1 457 . 1 1 61 61 LEU N N 15 121.1 0.10 . 1 . . . . . . . . 4834 1 458 . 1 1 62 62 ALA H H 1 8.28 0.02 . 1 . . . . . . . . 4834 1 459 . 1 1 62 62 ALA HA H 1 5.22 0.02 . 1 . . . . . . . . 4834 1 460 . 1 1 62 62 ALA HB1 H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 461 . 1 1 62 62 ALA HB2 H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 462 . 1 1 62 62 ALA HB3 H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 463 . 1 1 62 62 ALA C C 13 178.5 0.10 . 1 . . . . . . . . 4834 1 464 . 1 1 62 62 ALA CA C 13 49.3 0.10 . 1 . . . . . . . . 4834 1 465 . 1 1 62 62 ALA CB C 13 22.9 0.10 . 1 . . . . . . . . 4834 1 466 . 1 1 62 62 ALA N N 15 126.4 0.10 . 1 . . . . . . . . 4834 1 467 . 1 1 63 63 ALA H H 1 8.32 0.02 . 1 . . . . . . . . 4834 1 468 . 1 1 63 63 ALA CA C 13 56.9 0.10 . 1 . . . . . . . . 4834 1 469 . 1 1 63 63 ALA CB C 13 15.9 0.10 . 1 . . . . . . . . 4834 1 470 . 1 1 63 63 ALA N N 15 124.8 0.10 . 1 . . . . . . . . 4834 1 471 . 1 1 64 64 PRO HA H 1 3.79 0.02 . 1 . . . . . . . . 4834 1 472 . 1 1 64 64 PRO HB2 H 1 2.55 0.02 . 2 . . . . . . . . 4834 1 473 . 1 1 64 64 PRO HB3 H 1 1.32 0.02 . 2 . . . . . . . . 4834 1 474 . 1 1 64 64 PRO C C 13 177.4 0.10 . 1 . . . . . . . . 4834 1 475 . 1 1 64 64 PRO CA C 13 67.0 0.10 . 1 . . . . . . . . 4834 1 476 . 1 1 64 64 PRO CB C 13 32.2 0.10 . 1 . . . . . . . . 4834 1 477 . 1 1 65 65 GLN H H 1 8.08 0.02 . 1 . . . . . . . . 4834 1 478 . 1 1 65 65 GLN HA H 1 3.83 0.02 . 1 . . . . . . . . 4834 1 479 . 1 1 65 65 GLN HB2 H 1 2.04 0.02 . 1 . . . . . . . . 4834 1 480 . 1 1 65 65 GLN HB3 H 1 2.04 0.02 . 1 . . . . . . . . 4834 1 481 . 1 1 65 65 GLN C C 13 176.2 0.10 . 1 . . . . . . . . 4834 1 482 . 1 1 65 65 GLN CA C 13 58.7 0.10 . 1 . . . . . . . . 4834 1 483 . 1 1 65 65 GLN CB C 13 31.7 0.10 . 1 . . . . . . . . 4834 1 484 . 1 1 65 65 GLN N N 15 108.5 0.10 . 1 . . . . . . . . 4834 1 485 . 1 1 66 66 ILE H H 1 7.97 0.02 . 1 . . . . . . . . 4834 1 486 . 1 1 66 66 ILE HA H 1 5.20 0.02 . 1 . . . . . . . . 4834 1 487 . 1 1 66 66 ILE HB H 1 2.10 0.02 . 1 . . . . . . . . 4834 1 488 . 1 1 66 66 ILE C C 13 175.7 0.10 . 1 . . . . . . . . 4834 1 489 . 1 1 66 66 ILE CA C 13 59.9 0.10 . 1 . . . . . . . . 4834 1 490 . 1 1 66 66 ILE CB C 13 36.4 0.10 . 1 . . . . . . . . 4834 1 491 . 1 1 66 66 ILE N N 15 111.1 0.10 . 1 . . . . . . . . 4834 1 492 . 1 1 67 67 ASN H H 1 7.95 0.02 . 1 . . . . . . . . 4834 1 493 . 1 1 67 67 ASN HA H 1 4.31 0.02 . 1 . . . . . . . . 4834 1 494 . 1 1 67 67 ASN HB2 H 1 3.57 0.02 . 1 . . . . . . . . 4834 1 495 . 1 1 67 67 ASN HB3 H 1 2.09 0.02 . 1 . . . . . . . . 4834 1 496 . 1 1 67 67 ASN C C 13 174.2 0.10 . 1 . . . . . . . . 4834 1 497 . 1 1 67 67 ASN CA C 13 53.0 0.10 . 1 . . . . . . . . 4834 1 498 . 1 1 67 67 ASN CB C 13 38.2 0.10 . 1 . . . . . . . . 4834 1 499 . 1 1 67 67 ASN N N 15 116.6 0.10 . 1 . . . . . . . . 4834 1 500 . 1 1 68 68 ILE H H 1 7.42 0.02 . 1 . . . . . . . . 4834 1 501 . 1 1 68 68 ILE HA H 1 3.81 0.02 . 1 . . . . . . . . 4834 1 502 . 1 1 68 68 ILE CA C 13 59.9 0.10 . 1 . . . . . . . . 4834 1 503 . 1 1 68 68 ILE CB C 13 39.0 0.10 . 1 . . . . . . . . 4834 1 504 . 1 1 68 68 ILE N N 15 118.6 0.10 . 1 . . . . . . . . 4834 1 505 . 1 1 69 69 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 4834 1 506 . 1 1 69 69 SER HB2 H 1 4.11 0.02 . 1 . . . . . . . . 4834 1 507 . 1 1 69 69 SER C C 13 175.7 0.10 . 1 . . . . . . . . 4834 1 508 . 1 1 69 69 SER CA C 13 56.8 0.10 . 1 . . . . . . . . 4834 1 509 . 1 1 69 69 SER CB C 13 61.5 0.10 . 1 . . . . . . . . 4834 1 510 . 1 1 70 70 LYS H H 1 8.37 0.02 . 1 . . . . . . . . 4834 1 511 . 1 1 70 70 LYS HA H 1 5.42 0.02 . 1 . . . . . . . . 4834 1 512 . 1 1 70 70 LYS HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4834 1 513 . 1 1 70 70 LYS HB3 H 1 1.32 0.02 . 2 . . . . . . . . 4834 1 514 . 1 1 70 70 LYS C C 13 177.0 0.10 . 1 . . . . . . . . 4834 1 515 . 1 1 70 70 LYS CA C 13 54.5 0.10 . 1 . . . . . . . . 4834 1 516 . 1 1 70 70 LYS CB C 13 38.2 0.10 . 1 . . . . . . . . 4834 1 517 . 1 1 70 70 LYS N N 15 122.8 0.10 . 1 . . . . . . . . 4834 1 518 . 1 1 71 71 ARG H H 1 7.91 0.02 . 1 . . . . . . . . 4834 1 519 . 1 1 71 71 ARG HA H 1 4.37 0.02 . 1 . . . . . . . . 4834 1 520 . 1 1 71 71 ARG HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4834 1 521 . 1 1 71 71 ARG HB3 H 1 1.97 0.02 . 1 . . . . . . . . 4834 1 522 . 1 1 71 71 ARG C C 13 172.4 0.10 . 1 . . . . . . . . 4834 1 523 . 1 1 71 71 ARG CA C 13 56.9 0.10 . 1 . . . . . . . . 4834 1 524 . 1 1 71 71 ARG CB C 13 28.6 0.10 . 1 . . . . . . . . 4834 1 525 . 1 1 71 71 ARG N N 15 120.6 0.10 . 1 . . . . . . . . 4834 1 526 . 1 1 72 72 MET H H 1 8.09 0.02 . 1 . . . . . . . . 4834 1 527 . 1 1 72 72 MET HA H 1 5.61 0.02 . 1 . . . . . . . . 4834 1 528 . 1 1 72 72 MET HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4834 1 529 . 1 1 72 72 MET HB3 H 1 1.97 0.02 . 1 . . . . . . . . 4834 1 530 . 1 1 72 72 MET C C 13 174.8 0.10 . 1 . . . . . . . . 4834 1 531 . 1 1 72 72 MET CA C 13 54.3 0.10 . 1 . . . . . . . . 4834 1 532 . 1 1 72 72 MET CB C 13 36.1 0.10 . 1 . . . . . . . . 4834 1 533 . 1 1 72 72 MET N N 15 121.7 0.10 . 1 . . . . . . . . 4834 1 534 . 1 1 73 73 ILE H H 1 8.93 0.02 . 1 . . . . . . . . 4834 1 535 . 1 1 73 73 ILE HA H 1 5.22 0.02 . 1 . . . . . . . . 4834 1 536 . 1 1 73 73 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 537 . 1 1 73 73 ILE C C 13 171.4 0.10 . 1 . . . . . . . . 4834 1 538 . 1 1 73 73 ILE CA C 13 59.2 0.10 . 1 . . . . . . . . 4834 1 539 . 1 1 73 73 ILE CB C 13 42.6 0.10 . 1 . . . . . . . . 4834 1 540 . 1 1 73 73 ILE N N 15 114.6 0.10 . 1 . . . . . . . . 4834 1 541 . 1 1 74 74 ALA H H 1 9.09 0.02 . 1 . . . . . . . . 4834 1 542 . 1 1 74 74 ALA HA H 1 5.48 0.02 . 1 . . . . . . . . 4834 1 543 . 1 1 74 74 ALA HB1 H 1 1.19 0.02 . 1 . . . . . . . . 4834 1 544 . 1 1 74 74 ALA HB2 H 1 1.19 0.02 . 1 . . . . . . . . 4834 1 545 . 1 1 74 74 ALA HB3 H 1 1.19 0.02 . 1 . . . . . . . . 4834 1 546 . 1 1 74 74 ALA C C 13 174.4 0.10 . 1 . . . . . . . . 4834 1 547 . 1 1 74 74 ALA CA C 13 50.4 0.10 . 1 . . . . . . . . 4834 1 548 . 1 1 74 74 ALA CB C 13 21.4 0.10 . 1 . . . . . . . . 4834 1 549 . 1 1 74 74 ALA N N 15 124.2 0.10 . 1 . . . . . . . . 4834 1 550 . 1 1 75 75 VAL H H 1 8.76 0.02 . 1 . . . . . . . . 4834 1 551 . 1 1 75 75 VAL HA H 1 4.50 0.02 . 1 . . . . . . . . 4834 1 552 . 1 1 75 75 VAL HB H 1 1.45 0.02 . 1 . . . . . . . . 4834 1 553 . 1 1 75 75 VAL C C 13 173.1 0.10 . 1 . . . . . . . . 4834 1 554 . 1 1 75 75 VAL CA C 13 61.4 0.10 . 1 . . . . . . . . 4834 1 555 . 1 1 75 75 VAL CB C 13 36.8 0.10 . 1 . . . . . . . . 4834 1 556 . 1 1 75 75 VAL N N 15 120.2 0.10 . 1 . . . . . . . . 4834 1 557 . 1 1 76 76 LEU H H 1 8.88 0.02 . 1 . . . . . . . . 4834 1 558 . 1 1 76 76 LEU HA H 1 5.29 0.02 . 1 . . . . . . . . 4834 1 559 . 1 1 76 76 LEU HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4834 1 560 . 1 1 76 76 LEU HB3 H 1 1.18 0.02 . 2 . . . . . . . . 4834 1 561 . 1 1 76 76 LEU C C 13 175.0 0.10 . 1 . . . . . . . . 4834 1 562 . 1 1 76 76 LEU CA C 13 54.2 0.10 . 1 . . . . . . . . 4834 1 563 . 1 1 76 76 LEU CB C 13 44.6 0.10 . 1 . . . . . . . . 4834 1 564 . 1 1 76 76 LEU N N 15 129.9 0.10 . 1 . . . . . . . . 4834 1 565 . 1 1 77 77 ILE H H 1 9.30 0.02 . 1 . . . . . . . . 4834 1 566 . 1 1 77 77 ILE HA H 1 4.80 0.02 . 1 . . . . . . . . 4834 1 567 . 1 1 77 77 ILE HB H 1 2.09 0.02 . 1 . . . . . . . . 4834 1 568 . 1 1 77 77 ILE CA C 13 57.9 0.10 . 1 . . . . . . . . 4834 1 569 . 1 1 77 77 ILE CB C 13 41.8 0.10 . 1 . . . . . . . . 4834 1 570 . 1 1 77 77 ILE N N 15 125.3 0.10 . 1 . . . . . . . . 4834 1 571 . 1 1 78 78 PRO HA H 1 4.50 0.02 . 1 . . . . . . . . 4834 1 572 . 1 1 78 78 PRO HB2 H 1 2.42 0.02 . 2 . . . . . . . . 4834 1 573 . 1 1 78 78 PRO HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4834 1 574 . 1 1 78 78 PRO C C 13 176.1 0.10 . 1 . . . . . . . . 4834 1 575 . 1 1 78 78 PRO CA C 13 63.3 0.10 . 1 . . . . . . . . 4834 1 576 . 1 1 78 78 PRO CB C 13 32.3 0.10 . 1 . . . . . . . . 4834 1 577 . 1 1 79 79 ASP H H 1 7.81 0.02 . 1 . . . . . . . . 4834 1 578 . 1 1 79 79 ASP HA H 1 4.77 0.02 . 1 . . . . . . . . 4834 1 579 . 1 1 79 79 ASP HB2 H 1 2.75 0.02 . 2 . . . . . . . . 4834 1 580 . 1 1 79 79 ASP HB3 H 1 2.62 0.02 . 2 . . . . . . . . 4834 1 581 . 1 1 79 79 ASP C C 13 176.4 0.10 . 1 . . . . . . . . 4834 1 582 . 1 1 79 79 ASP CA C 13 54.5 0.10 . 1 . . . . . . . . 4834 1 583 . 1 1 79 79 ASP CB C 13 41.6 0.10 . 1 . . . . . . . . 4834 1 584 . 1 1 79 79 ASP N N 15 116.2 0.10 . 1 . . . . . . . . 4834 1 585 . 1 1 80 80 ASP H H 1 8.88 0.02 . 1 . . . . . . . . 4834 1 586 . 1 1 80 80 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 4834 1 587 . 1 1 80 80 ASP HB2 H 1 3.27 0.02 . 1 . . . . . . . . 4834 1 588 . 1 1 80 80 ASP HB3 H 1 2.75 0.02 . 1 . . . . . . . . 4834 1 589 . 1 1 80 80 ASP C C 13 176.5 0.10 . 1 . . . . . . . . 4834 1 590 . 1 1 80 80 ASP CA C 13 53.7 0.10 . 1 . . . . . . . . 4834 1 591 . 1 1 80 80 ASP CB C 13 40.8 0.10 . 1 . . . . . . . . 4834 1 592 . 1 1 80 80 ASP N N 15 127.7 0.10 . 1 . . . . . . . . 4834 1 593 . 1 1 81 81 GLY H H 1 9.46 0.02 . 1 . . . . . . . . 4834 1 594 . 1 1 81 81 GLY HA2 H 1 4.57 0.02 . 2 . . . . . . . . 4834 1 595 . 1 1 81 81 GLY HA3 H 1 3.59 0.02 . 2 . . . . . . . . 4834 1 596 . 1 1 81 81 GLY C C 13 175.0 0.10 . 1 . . . . . . . . 4834 1 597 . 1 1 81 81 GLY CA C 13 44.9 0.10 . 1 . . . . . . . . 4834 1 598 . 1 1 81 81 GLY N N 15 111.1 0.10 . 1 . . . . . . . . 4834 1 599 . 1 1 82 82 SER H H 1 8.93 0.02 . 1 . . . . . . . . 4834 1 600 . 1 1 82 82 SER HA H 1 4.63 0.02 . 1 . . . . . . . . 4834 1 601 . 1 1 82 82 SER HB2 H 1 4.11 0.02 . 2 . . . . . . . . 4834 1 602 . 1 1 82 82 SER HB3 H 1 3.98 0.02 . 2 . . . . . . . . 4834 1 603 . 1 1 82 82 SER C C 13 175.5 0.10 . 1 . . . . . . . . 4834 1 604 . 1 1 82 82 SER CA C 13 58.4 0.10 . 1 . . . . . . . . 4834 1 605 . 1 1 82 82 SER CB C 13 65.1 0.10 . 1 . . . . . . . . 4834 1 606 . 1 1 82 82 SER N N 15 117.1 0.10 . 1 . . . . . . . . 4834 1 607 . 1 1 83 83 GLY H H 1 9.51 0.02 . 1 . . . . . . . . 4834 1 608 . 1 1 83 83 GLY HA2 H 1 4.37 0.02 . 2 . . . . . . . . 4834 1 609 . 1 1 83 83 GLY HA3 H 1 3.85 0.02 . 2 . . . . . . . . 4834 1 610 . 1 1 83 83 GLY C C 13 174.2 0.10 . 1 . . . . . . . . 4834 1 611 . 1 1 83 83 GLY CA C 13 45.2 0.10 . 1 . . . . . . . . 4834 1 612 . 1 1 83 83 GLY N N 15 113.3 0.10 . 1 . . . . . . . . 4834 1 613 . 1 1 84 84 LYS H H 1 7.63 0.02 . 1 . . . . . . . . 4834 1 614 . 1 1 84 84 LYS HA H 1 4.63 0.02 . 1 . . . . . . . . 4834 1 615 . 1 1 84 84 LYS HB2 H 1 1.77 0.02 . 2 . . . . . . . . 4834 1 616 . 1 1 84 84 LYS HB3 H 1 1.71 0.02 . 2 . . . . . . . . 4834 1 617 . 1 1 84 84 LYS C C 13 174.1 0.10 . 1 . . . . . . . . 4834 1 618 . 1 1 84 84 LYS CA C 13 55.0 0.10 . 1 . . . . . . . . 4834 1 619 . 1 1 84 84 LYS CB C 13 33.6 0.10 . 1 . . . . . . . . 4834 1 620 . 1 1 84 84 LYS N N 15 120.8 0.10 . 1 . . . . . . . . 4834 1 621 . 1 1 85 85 SER H H 1 7.89 0.02 . 1 . . . . . . . . 4834 1 622 . 1 1 85 85 SER HA H 1 4.83 0.02 . 1 . . . . . . . . 4834 1 623 . 1 1 85 85 SER HB2 H 1 4.11 0.02 . 2 . . . . . . . . 4834 1 624 . 1 1 85 85 SER HB3 H 1 3.98 0.02 . 2 . . . . . . . . 4834 1 625 . 1 1 85 85 SER C C 13 173.3 0.10 . 1 . . . . . . . . 4834 1 626 . 1 1 85 85 SER CA C 13 56.1 0.10 . 1 . . . . . . . . 4834 1 627 . 1 1 85 85 SER CB C 13 65.9 0.10 . 1 . . . . . . . . 4834 1 628 . 1 1 85 85 SER N N 15 116.2 0.10 . 1 . . . . . . . . 4834 1 629 . 1 1 86 86 TYR H H 1 8.84 0.02 . 1 . . . . . . . . 4834 1 630 . 1 1 86 86 TYR HA H 1 4.70 0.02 . 1 . . . . . . . . 4834 1 631 . 1 1 86 86 TYR HB2 H 1 3.14 0.02 . 2 . . . . . . . . 4834 1 632 . 1 1 86 86 TYR HB3 H 1 3.01 0.02 . 2 . . . . . . . . 4834 1 633 . 1 1 86 86 TYR C C 13 173.0 0.10 . 1 . . . . . . . . 4834 1 634 . 1 1 86 86 TYR CA C 13 57.4 0.10 . 1 . . . . . . . . 4834 1 635 . 1 1 86 86 TYR CB C 13 40.3 0.10 . 1 . . . . . . . . 4834 1 636 . 1 1 86 86 TYR N N 15 118.2 0.10 . 1 . . . . . . . . 4834 1 637 . 1 1 87 87 ASP H H 1 7.78 0.02 . 1 . . . . . . . . 4834 1 638 . 1 1 87 87 ASP HA H 1 5.29 0.02 . 1 . . . . . . . . 4834 1 639 . 1 1 87 87 ASP HB2 H 1 2.68 0.02 . 2 . . . . . . . . 4834 1 640 . 1 1 87 87 ASP HB3 H 1 2.29 0.02 . 2 . . . . . . . . 4834 1 641 . 1 1 87 87 ASP C C 13 175.1 0.10 . 1 . . . . . . . . 4834 1 642 . 1 1 87 87 ASP CA C 13 52.2 0.10 . 1 . . . . . . . . 4834 1 643 . 1 1 87 87 ASP CB C 13 40.8 0.10 . 1 . . . . . . . . 4834 1 644 . 1 1 87 87 ASP N N 15 126.6 0.10 . 1 . . . . . . . . 4834 1 645 . 1 1 88 88 TYR H H 1 9.06 0.02 . 1 . . . . . . . . 4834 1 646 . 1 1 88 88 TYR HA H 1 5.09 0.02 . 1 . . . . . . . . 4834 1 647 . 1 1 88 88 TYR HB2 H 1 3.01 0.02 . 2 . . . . . . . . 4834 1 648 . 1 1 88 88 TYR HB3 H 1 2.62 0.02 . 2 . . . . . . . . 4834 1 649 . 1 1 88 88 TYR C C 13 174.5 0.10 . 1 . . . . . . . . 4834 1 650 . 1 1 88 88 TYR CA C 13 57.9 0.10 . 1 . . . . . . . . 4834 1 651 . 1 1 88 88 TYR CB C 13 44.2 0.10 . 1 . . . . . . . . 4834 1 652 . 1 1 88 88 TYR N N 15 118.6 0.10 . 1 . . . . . . . . 4834 1 653 . 1 1 89 89 MET H H 1 8.45 0.02 . 1 . . . . . . . . 4834 1 654 . 1 1 89 89 MET HA H 1 5.03 0.02 . 1 . . . . . . . . 4834 1 655 . 1 1 89 89 MET HB2 H 1 2.49 0.02 . 2 . . . . . . . . 4834 1 656 . 1 1 89 89 MET HB3 H 1 1.84 0.02 . 2 . . . . . . . . 4834 1 657 . 1 1 89 89 MET C C 13 175.1 0.10 . 1 . . . . . . . . 4834 1 658 . 1 1 89 89 MET CA C 13 55.3 0.10 . 1 . . . . . . . . 4834 1 659 . 1 1 89 89 MET CB C 13 34.3 0.10 . 1 . . . . . . . . 4834 1 660 . 1 1 89 89 MET N N 15 122.6 0.10 . 1 . . . . . . . . 4834 1 661 . 1 1 90 90 LEU H H 1 8.98 0.02 . 1 . . . . . . . . 4834 1 662 . 1 1 90 90 LEU HA H 1 5.42 0.02 . 1 . . . . . . . . 4834 1 663 . 1 1 90 90 LEU HB2 H 1 1.64 0.02 . 2 . . . . . . . . 4834 1 664 . 1 1 90 90 LEU HB3 H 1 1.25 0.02 . 2 . . . . . . . . 4834 1 665 . 1 1 90 90 LEU C C 13 174.8 0.10 . 1 . . . . . . . . 4834 1 666 . 1 1 90 90 LEU CA C 13 53.0 0.10 . 1 . . . . . . . . 4834 1 667 . 1 1 90 90 LEU CB C 13 46.5 0.10 . 1 . . . . . . . . 4834 1 668 . 1 1 90 90 LEU N N 15 118.4 0.10 . 1 . . . . . . . . 4834 1 669 . 1 1 91 91 VAL H H 1 9.32 0.02 . 1 . . . . . . . . 4834 1 670 . 1 1 91 91 VAL HA H 1 5.35 0.02 . 1 . . . . . . . . 4834 1 671 . 1 1 91 91 VAL HB H 1 2.29 0.02 . 1 . . . . . . . . 4834 1 672 . 1 1 91 91 VAL C C 13 174.3 0.10 . 1 . . . . . . . . 4834 1 673 . 1 1 91 91 VAL CA C 13 59.7 0.10 . 1 . . . . . . . . 4834 1 674 . 1 1 91 91 VAL CB C 13 33.8 0.10 . 1 . . . . . . . . 4834 1 675 . 1 1 91 91 VAL N N 15 118.4 0.10 . 1 . . . . . . . . 4834 1 676 . 1 1 92 92 ASN H H 1 9.06 0.02 . 1 . . . . . . . . 4834 1 677 . 1 1 92 92 ASN HA H 1 5.09 0.02 . 1 . . . . . . . . 4834 1 678 . 1 1 92 92 ASN HB2 H 1 3.42 0.02 . 2 . . . . . . . . 4834 1 679 . 1 1 92 92 ASN HB3 H 1 2.33 0.02 . 2 . . . . . . . . 4834 1 680 . 1 1 92 92 ASN CA C 13 57.8 0.10 . 1 . . . . . . . . 4834 1 681 . 1 1 92 92 ASN CB C 13 44.2 0.10 . 1 . . . . . . . . 4834 1 682 . 1 1 92 92 ASN N N 15 118.6 0.10 . 1 . . . . . . . . 4834 1 683 . 1 1 93 93 PRO HA H 1 5.09 0.02 . 1 . . . . . . . . 4834 1 684 . 1 1 93 93 PRO HB2 H 1 1.71 0.02 . 1 . . . . . . . . 4834 1 685 . 1 1 93 93 PRO HB3 H 1 1.71 0.02 . 1 . . . . . . . . 4834 1 686 . 1 1 93 93 PRO C C 13 177.1 0.10 . 1 . . . . . . . . 4834 1 687 . 1 1 93 93 PRO CA C 13 63.2 0.10 . 1 . . . . . . . . 4834 1 688 . 1 1 93 93 PRO CB C 13 32.4 0.10 . 1 . . . . . . . . 4834 1 689 . 1 1 94 94 LYS H H 1 9.22 0.02 . 1 . . . . . . . . 4834 1 690 . 1 1 94 94 LYS HA H 1 4.58 0.02 . 1 . . . . . . . . 4834 1 691 . 1 1 94 94 LYS HB2 H 1 2.28 0.02 . 1 . . . . . . . . 4834 1 692 . 1 1 94 94 LYS HB3 H 1 2.28 0.02 . 1 . . . . . . . . 4834 1 693 . 1 1 94 94 LYS C C 13 174.7 0.10 . 1 . . . . . . . . 4834 1 694 . 1 1 94 94 LYS CA C 13 55.7 0.10 . 1 . . . . . . . . 4834 1 695 . 1 1 94 94 LYS CB C 13 36.6 0.10 . 1 . . . . . . . . 4834 1 696 . 1 1 94 94 LYS N N 15 120.8 0.10 . 1 . . . . . . . . 4834 1 697 . 1 1 95 95 ILE H H 1 8.95 0.02 . 1 . . . . . . . . 4834 1 698 . 1 1 95 95 ILE HA H 1 4.44 0.02 . 1 . . . . . . . . 4834 1 699 . 1 1 95 95 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 4834 1 700 . 1 1 95 95 ILE C C 13 176.6 0.10 . 1 . . . . . . . . 4834 1 701 . 1 1 95 95 ILE CA C 13 62.5 0.10 . 1 . . . . . . . . 4834 1 702 . 1 1 95 95 ILE CB C 13 38.1 0.10 . 1 . . . . . . . . 4834 1 703 . 1 1 95 95 ILE N N 15 124.0 0.10 . 1 . . . . . . . . 4834 1 704 . 1 1 96 96 VAL H H 1 8.67 0.02 . 1 . . . . . . . . 4834 1 705 . 1 1 96 96 VAL HA H 1 4.45 0.02 . 1 . . . . . . . . 4834 1 706 . 1 1 96 96 VAL HB H 1 2.28 0.02 . 1 . . . . . . . . 4834 1 707 . 1 1 96 96 VAL C C 13 175.8 0.10 . 1 . . . . . . . . 4834 1 708 . 1 1 96 96 VAL CA C 13 62.2 0.10 . 1 . . . . . . . . 4834 1 709 . 1 1 96 96 VAL CB C 13 32.7 0.10 . 1 . . . . . . . . 4834 1 710 . 1 1 96 96 VAL N N 15 122.2 0.10 . 1 . . . . . . . . 4834 1 711 . 1 1 97 97 SER H H 1 7.61 0.02 . 1 . . . . . . . . 4834 1 712 . 1 1 97 97 SER HA H 1 5.24 0.02 . 1 . . . . . . . . 4834 1 713 . 1 1 97 97 SER HB2 H 1 3.86 0.02 . 2 . . . . . . . . 4834 1 714 . 1 1 97 97 SER HB3 H 1 3.66 0.02 . 2 . . . . . . . . 4834 1 715 . 1 1 97 97 SER CA C 13 57.8 0.10 . 1 . . . . . . . . 4834 1 716 . 1 1 97 97 SER CB C 13 65.3 0.10 . 1 . . . . . . . . 4834 1 717 . 1 1 97 97 SER N N 15 114.2 0.10 . 1 . . . . . . . . 4834 1 718 . 1 1 101 101 GLN HA H 1 4.37 0.02 . 1 . . . . . . . . 4834 1 719 . 1 1 101 101 GLN HB2 H 1 2.16 0.02 . 1 . . . . . . . . 4834 1 720 . 1 1 101 101 GLN HB3 H 1 2.16 0.02 . 1 . . . . . . . . 4834 1 721 . 1 1 101 101 GLN C C 13 176.4 0.10 . 1 . . . . . . . . 4834 1 722 . 1 1 101 101 GLN CA C 13 57.5 0.10 . 1 . . . . . . . . 4834 1 723 . 1 1 101 101 GLN CB C 13 30.1 0.10 . 1 . . . . . . . . 4834 1 724 . 1 1 102 102 GLU H H 1 9.10 0.02 . 1 . . . . . . . . 4834 1 725 . 1 1 102 102 GLU HA H 1 5.42 0.02 . 1 . . . . . . . . 4834 1 726 . 1 1 102 102 GLU HB2 H 1 2.23 0.02 . 1 . . . . . . . . 4834 1 727 . 1 1 102 102 GLU HB3 H 1 2.23 0.02 . 1 . . . . . . . . 4834 1 728 . 1 1 102 102 GLU C C 13 175.6 0.10 . 1 . . . . . . . . 4834 1 729 . 1 1 102 102 GLU CA C 13 55.7 0.10 . 1 . . . . . . . . 4834 1 730 . 1 1 102 102 GLU CB C 13 35.0 0.10 . 1 . . . . . . . . 4834 1 731 . 1 1 102 102 GLU N N 15 127.7 0.10 . 1 . . . . . . . . 4834 1 732 . 1 1 103 103 ALA H H 1 9.38 0.02 . 1 . . . . . . . . 4834 1 733 . 1 1 103 103 ALA HA H 1 5.68 0.02 . 1 . . . . . . . . 4834 1 734 . 1 1 103 103 ALA HB1 H 1 1.19 0.02 . 1 . . . . . . . . 4834 1 735 . 1 1 103 103 ALA HB2 H 1 1.19 0.02 . 1 . . . . . . . . 4834 1 736 . 1 1 103 103 ALA HB3 H 1 1.19 0.02 . 1 . . . . . . . . 4834 1 737 . 1 1 103 103 ALA C C 13 175.4 0.10 . 1 . . . . . . . . 4834 1 738 . 1 1 103 103 ALA CA C 13 50.8 0.10 . 1 . . . . . . . . 4834 1 739 . 1 1 103 103 ALA CB C 13 24.4 0.10 . 1 . . . . . . . . 4834 1 740 . 1 1 103 103 ALA N N 15 122.0 0.10 . 1 . . . . . . . . 4834 1 741 . 1 1 104 104 TYR H H 1 8.14 0.02 . 1 . . . . . . . . 4834 1 742 . 1 1 104 104 TYR HA H 1 4.55 0.02 . 1 . . . . . . . . 4834 1 743 . 1 1 104 104 TYR HB2 H 1 3.32 0.02 . 2 . . . . . . . . 4834 1 744 . 1 1 104 104 TYR HB3 H 1 2.38 0.02 . 2 . . . . . . . . 4834 1 745 . 1 1 104 104 TYR CA C 13 56.8 0.10 . 1 . . . . . . . . 4834 1 746 . 1 1 104 104 TYR CB C 13 41.2 0.10 . 1 . . . . . . . . 4834 1 747 . 1 1 104 104 TYR N N 15 112.9 0.10 . 1 . . . . . . . . 4834 1 748 . 1 1 106 106 PRO HA H 1 4.50 0.02 . 1 . . . . . . . . 4834 1 749 . 1 1 106 106 PRO HB2 H 1 2.49 0.02 . 2 . . . . . . . . 4834 1 750 . 1 1 106 106 PRO HB3 H 1 2.23 0.02 . 2 . . . . . . . . 4834 1 751 . 1 1 106 106 PRO C C 13 176.3 0.10 . 1 . . . . . . . . 4834 1 752 . 1 1 106 106 PRO CA C 13 65.2 0.10 . 1 . . . . . . . . 4834 1 753 . 1 1 106 106 PRO CB C 13 32.2 0.10 . 1 . . . . . . . . 4834 1 754 . 1 1 107 107 THR H H 1 7.29 0.02 . 1 . . . . . . . . 4834 1 755 . 1 1 107 107 THR HA H 1 4.57 0.02 . 1 . . . . . . . . 4834 1 756 . 1 1 107 107 THR HB H 1 4.37 0.02 . 1 . . . . . . . . 4834 1 757 . 1 1 107 107 THR C C 13 175.5 0.10 . 1 . . . . . . . . 4834 1 758 . 1 1 107 107 THR CA C 13 61.2 0.10 . 1 . . . . . . . . 4834 1 759 . 1 1 107 107 THR CB C 13 69.4 0.10 . 1 . . . . . . . . 4834 1 760 . 1 1 107 107 THR N N 15 104.5 0.10 . 1 . . . . . . . . 4834 1 761 . 1 1 108 108 GLY H H 1 7.36 0.02 . 1 . . . . . . . . 4834 1 762 . 1 1 108 108 GLY HA2 H 1 4.70 0.02 . 2 . . . . . . . . 4834 1 763 . 1 1 108 108 GLY HA3 H 1 4.37 0.02 . 2 . . . . . . . . 4834 1 764 . 1 1 108 108 GLY C C 13 173.5 0.10 . 1 . . . . . . . . 4834 1 765 . 1 1 108 108 GLY CA C 13 45.4 0.10 . 1 . . . . . . . . 4834 1 766 . 1 1 108 108 GLY N N 15 109.3 0.10 . 1 . . . . . . . . 4834 1 767 . 1 1 109 109 GLU H H 1 8.65 0.02 . 1 . . . . . . . . 4834 1 768 . 1 1 109 109 GLU HA H 1 4.44 0.02 . 1 . . . . . . . . 4834 1 769 . 1 1 109 109 GLU HB2 H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 770 . 1 1 109 109 GLU HB3 H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 771 . 1 1 109 109 GLU C C 13 174.5 0.10 . 1 . . . . . . . . 4834 1 772 . 1 1 109 109 GLU CA C 13 55.7 0.10 . 1 . . . . . . . . 4834 1 773 . 1 1 109 109 GLU CB C 13 33.7 0.10 . 1 . . . . . . . . 4834 1 774 . 1 1 109 109 GLU N N 15 117.1 0.10 . 1 . . . . . . . . 4834 1 775 . 1 1 110 110 GLY H H 1 7.41 0.02 . 1 . . . . . . . . 4834 1 776 . 1 1 110 110 GLY HA2 H 1 4.05 0.02 . 2 . . . . . . . . 4834 1 777 . 1 1 110 110 GLY HA3 H 1 3.59 0.02 . 2 . . . . . . . . 4834 1 778 . 1 1 110 110 GLY C C 13 172.6 0.10 . 1 . . . . . . . . 4834 1 779 . 1 1 110 110 GLY CA C 13 43.6 0.10 . 1 . . . . . . . . 4834 1 780 . 1 1 110 110 GLY N N 15 104.2 0.10 . 1 . . . . . . . . 4834 1 781 . 1 1 111 111 CYS H H 1 9.04 0.02 . 1 . . . . . . . . 4834 1 782 . 1 1 111 111 CYS HA H 1 4.50 0.02 . 1 . . . . . . . . 4834 1 783 . 1 1 111 111 CYS HB2 H 1 2.94 0.02 . 1 . . . . . . . . 4834 1 784 . 1 1 111 111 CYS HB3 H 1 2.94 0.02 . 1 . . . . . . . . 4834 1 785 . 1 1 111 111 CYS C C 13 176.0 0.10 . 1 . . . . . . . . 4834 1 786 . 1 1 111 111 CYS CA C 13 61.3 0.10 . 1 . . . . . . . . 4834 1 787 . 1 1 111 111 CYS CB C 13 32.0 0.10 . 1 . . . . . . . . 4834 1 788 . 1 1 111 111 CYS N N 15 120.0 0.10 . 1 . . . . . . . . 4834 1 789 . 1 1 112 112 LEU H H 1 9.50 0.02 . 1 . . . . . . . . 4834 1 790 . 1 1 112 112 LEU HA H 1 4.24 0.02 . 1 . . . . . . . . 4834 1 791 . 1 1 112 112 LEU HB2 H 1 1.64 0.02 . 1 . . . . . . . . 4834 1 792 . 1 1 112 112 LEU HB3 H 1 1.64 0.02 . 1 . . . . . . . . 4834 1 793 . 1 1 112 112 LEU C C 13 176.7 0.10 . 1 . . . . . . . . 4834 1 794 . 1 1 112 112 LEU CA C 13 58.7 0.10 . 1 . . . . . . . . 4834 1 795 . 1 1 112 112 LEU CB C 13 42.8 0.10 . 1 . . . . . . . . 4834 1 796 . 1 1 112 112 LEU N N 15 131.0 0.10 . 1 . . . . . . . . 4834 1 797 . 1 1 113 113 SER H H 1 8.35 0.02 . 1 . . . . . . . . 4834 1 798 . 1 1 113 113 SER HA H 1 4.70 0.02 . 1 . . . . . . . . 4834 1 799 . 1 1 113 113 SER HB2 H 1 4.11 0.02 . 1 . . . . . . . . 4834 1 800 . 1 1 113 113 SER HB3 H 1 4.11 0.02 . 1 . . . . . . . . 4834 1 801 . 1 1 113 113 SER C C 13 171.9 0.10 . 1 . . . . . . . . 4834 1 802 . 1 1 113 113 SER CA C 13 60.7 0.10 . 1 . . . . . . . . 4834 1 803 . 1 1 113 113 SER CB C 13 65.5 0.10 . 1 . . . . . . . . 4834 1 804 . 1 1 113 113 SER N N 15 110.4 0.10 . 1 . . . . . . . . 4834 1 805 . 1 1 114 114 VAL H H 1 8.22 0.02 . 1 . . . . . . . . 4834 1 806 . 1 1 114 114 VAL HA H 1 4.37 0.02 . 1 . . . . . . . . 4834 1 807 . 1 1 114 114 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 4834 1 808 . 1 1 114 114 VAL C C 13 174.8 0.10 . 1 . . . . . . . . 4834 1 809 . 1 1 114 114 VAL CA C 13 61.8 0.10 . 1 . . . . . . . . 4834 1 810 . 1 1 114 114 VAL CB C 13 34.1 0.10 . 1 . . . . . . . . 4834 1 811 . 1 1 114 114 VAL N N 15 121.7 0.10 . 1 . . . . . . . . 4834 1 812 . 1 1 115 115 ASP H H 1 9.10 0.02 . 1 . . . . . . . . 4834 1 813 . 1 1 115 115 ASP HA H 1 4.70 0.02 . 1 . . . . . . . . 4834 1 814 . 1 1 115 115 ASP HB2 H 1 2.81 0.02 . 2 . . . . . . . . 4834 1 815 . 1 1 115 115 ASP HB3 H 1 2.55 0.02 . 2 . . . . . . . . 4834 1 816 . 1 1 115 115 ASP C C 13 176.1 0.02 . 1 . . . . . . . . 4834 1 817 . 1 1 115 115 ASP CA C 13 56.3 0.10 . 1 . . . . . . . . 4834 1 818 . 1 1 115 115 ASP CB C 13 41.8 0.10 . 1 . . . . . . . . 4834 1 819 . 1 1 115 115 ASP N N 15 128.2 0.10 . 1 . . . . . . . . 4834 1 820 . 1 1 116 116 ASP H H 1 7.70 0.02 . 1 . . . . . . . . 4834 1 821 . 1 1 116 116 ASP HA H 1 4.77 0.02 . 1 . . . . . . . . 4834 1 822 . 1 1 116 116 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 4834 1 823 . 1 1 116 116 ASP HB3 H 1 2.49 0.02 . 2 . . . . . . . . 4834 1 824 . 1 1 116 116 ASP C C 13 174.7 0.10 . 1 . . . . . . . . 4834 1 825 . 1 1 116 116 ASP CA C 13 53.2 0.10 . 1 . . . . . . . . 4834 1 826 . 1 1 116 116 ASP CB C 13 42.1 0.10 . 1 . . . . . . . . 4834 1 827 . 1 1 116 116 ASP N N 15 118.2 0.10 . 1 . . . . . . . . 4834 1 828 . 1 1 117 117 ASN H H 1 8.51 0.02 . 1 . . . . . . . . 4834 1 829 . 1 1 117 117 ASN HA H 1 4.77 0.02 . 1 . . . . . . . . 4834 1 830 . 1 1 117 117 ASN HB2 H 1 2.75 0.02 . 1 . . . . . . . . 4834 1 831 . 1 1 117 117 ASN HB3 H 1 2.75 0.02 . 1 . . . . . . . . 4834 1 832 . 1 1 117 117 ASN C C 13 174.8 0.10 . 1 . . . . . . . . 4834 1 833 . 1 1 117 117 ASN CA C 13 53.2 0.10 . 1 . . . . . . . . 4834 1 834 . 1 1 117 117 ASN CB C 13 38.7 0.10 . 1 . . . . . . . . 4834 1 835 . 1 1 117 117 ASN N N 15 118.6 0.10 . 1 . . . . . . . . 4834 1 836 . 1 1 118 118 VAL H H 1 8.38 0.02 . 1 . . . . . . . . 4834 1 837 . 1 1 118 118 VAL HA H 1 4.11 0.02 . 1 . . . . . . . . 4834 1 838 . 1 1 118 118 VAL HB H 1 2.23 0.02 . 1 . . . . . . . . 4834 1 839 . 1 1 118 118 VAL C C 13 174.9 0.10 . 1 . . . . . . . . 4834 1 840 . 1 1 118 118 VAL CA C 13 62.3 0.10 . 1 . . . . . . . . 4834 1 841 . 1 1 118 118 VAL CB C 13 33.0 0.10 . 1 . . . . . . . . 4834 1 842 . 1 1 118 118 VAL N N 15 125.3 0.10 . 1 . . . . . . . . 4834 1 843 . 1 1 119 119 ALA H H 1 8.53 0.02 . 1 . . . . . . . . 4834 1 844 . 1 1 119 119 ALA HA H 1 4.57 0.02 . 1 . . . . . . . . 4834 1 845 . 1 1 119 119 ALA HB1 H 1 1.32 0.02 . 1 . . . . . . . . 4834 1 846 . 1 1 119 119 ALA HB2 H 1 1.32 0.02 . 1 . . . . . . . . 4834 1 847 . 1 1 119 119 ALA HB3 H 1 1.32 0.02 . 1 . . . . . . . . 4834 1 848 . 1 1 119 119 ALA C C 13 176.9 0.10 . 1 . . . . . . . . 4834 1 849 . 1 1 119 119 ALA CA C 13 51.4 0.10 . 1 . . . . . . . . 4834 1 850 . 1 1 119 119 ALA CB C 13 20.0 0.10 . 1 . . . . . . . . 4834 1 851 . 1 1 119 119 ALA N N 15 130.6 0.10 . 1 . . . . . . . . 4834 1 852 . 1 1 120 120 GLY H H 1 8.22 0.02 . 1 . . . . . . . . 4834 1 853 . 1 1 120 120 GLY HA2 H 1 4.50 0.02 . 2 . . . . . . . . 4834 1 854 . 1 1 120 120 GLY HA3 H 1 3.53 0.02 . 2 . . . . . . . . 4834 1 855 . 1 1 120 120 GLY C C 13 171.9 0.10 . 1 . . . . . . . . 4834 1 856 . 1 1 120 120 GLY CA C 13 44.6 0.10 . 1 . . . . . . . . 4834 1 857 . 1 1 120 120 GLY N N 15 106.9 0.10 . 1 . . . . . . . . 4834 1 858 . 1 1 121 121 LEU H H 1 8.11 0.02 . 1 . . . . . . . . 4834 1 859 . 1 1 121 121 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 4834 1 860 . 1 1 121 121 LEU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 4834 1 861 . 1 1 121 121 LEU HB3 H 1 1.38 0.02 . 2 . . . . . . . . 4834 1 862 . 1 1 121 121 LEU C C 13 176.3 0.10 . 1 . . . . . . . . 4834 1 863 . 1 1 121 121 LEU CA C 13 54.2 0.10 . 1 . . . . . . . . 4834 1 864 . 1 1 121 121 LEU CB C 13 43.0 0.10 . 1 . . . . . . . . 4834 1 865 . 1 1 121 121 LEU N N 15 117.3 0.10 . 1 . . . . . . . . 4834 1 866 . 1 1 122 122 VAL H H 1 9.21 0.02 . 1 . . . . . . . . 4834 1 867 . 1 1 122 122 VAL HA H 1 3.92 0.02 . 1 . . . . . . . . 4834 1 868 . 1 1 122 122 VAL HB H 1 2.10 0.02 . 1 . . . . . . . . 4834 1 869 . 1 1 122 122 VAL C C 13 175.2 0.10 . 1 . . . . . . . . 4834 1 870 . 1 1 122 122 VAL CA C 13 61.4 0.10 . 1 . . . . . . . . 4834 1 871 . 1 1 122 122 VAL CB C 13 32.4 0.10 . 1 . . . . . . . . 4834 1 872 . 1 1 122 122 VAL N N 15 123.7 0.10 . 1 . . . . . . . . 4834 1 873 . 1 1 123 123 HIS H H 1 8.79 0.02 . 1 . . . . . . . . 4834 1 874 . 1 1 123 123 HIS HA H 1 4.57 0.02 . 1 . . . . . . . . 4834 1 875 . 1 1 123 123 HIS HB2 H 1 2.81 0.02 . 1 . . . . . . . . 4834 1 876 . 1 1 123 123 HIS HB3 H 1 2.81 0.02 . 1 . . . . . . . . 4834 1 877 . 1 1 123 123 HIS C C 13 175.2 0.10 . 1 . . . . . . . . 4834 1 878 . 1 1 123 123 HIS CA C 13 59.3 0.10 . 1 . . . . . . . . 4834 1 879 . 1 1 123 123 HIS CB C 13 28.5 0.10 . 1 . . . . . . . . 4834 1 880 . 1 1 123 123 HIS N N 15 125.5 0.10 . 1 . . . . . . . . 4834 1 881 . 1 1 124 124 ARG H H 1 9.03 0.02 . 1 . . . . . . . . 4834 1 882 . 1 1 124 124 ARG HA H 1 4.50 0.02 . 1 . . . . . . . . 4834 1 883 . 1 1 124 124 ARG HB2 H 1 1.64 0.02 . 2 . . . . . . . . 4834 1 884 . 1 1 124 124 ARG HB3 H 1 1.32 0.02 . 2 . . . . . . . . 4834 1 885 . 1 1 124 124 ARG C C 13 175.2 0.10 . 1 . . . . . . . . 4834 1 886 . 1 1 124 124 ARG CA C 13 53.1 0.10 . 1 . . . . . . . . 4834 1 887 . 1 1 124 124 ARG CB C 13 33.6 0.10 . 1 . . . . . . . . 4834 1 888 . 1 1 124 124 ARG N N 15 122.8 0.10 . 1 . . . . . . . . 4834 1 889 . 1 1 125 125 HIS H H 1 8.29 0.02 . 1 . . . . . . . . 4834 1 890 . 1 1 125 125 HIS HA H 1 4.77 0.02 . 1 . . . . . . . . 4834 1 891 . 1 1 125 125 HIS HB2 H 1 2.68 0.02 . 1 . . . . . . . . 4834 1 892 . 1 1 125 125 HIS HB3 H 1 2.68 0.02 . 1 . . . . . . . . 4834 1 893 . 1 1 125 125 HIS C C 13 176.7 0.10 . 1 . . . . . . . . 4834 1 894 . 1 1 125 125 HIS CA C 13 57.8 0.10 . 1 . . . . . . . . 4834 1 895 . 1 1 125 125 HIS CB C 13 30.1 0.10 . 1 . . . . . . . . 4834 1 896 . 1 1 125 125 HIS N N 15 118.7 0.10 . 1 . . . . . . . . 4834 1 897 . 1 1 126 126 ASN H H 1 8.68 0.02 . 1 . . . . . . . . 4834 1 898 . 1 1 126 126 ASN HA H 1 4.44 0.02 . 1 . . . . . . . . 4834 1 899 . 1 1 126 126 ASN HB2 H 1 2.49 0.02 . 2 . . . . . . . . 4834 1 900 . 1 1 126 126 ASN HB3 H 1 2.29 0.02 . 2 . . . . . . . . 4834 1 901 . 1 1 126 126 ASN C C 13 173.4 0.10 . 1 . . . . . . . . 4834 1 902 . 1 1 126 126 ASN CA C 13 55.7 0.10 . 1 . . . . . . . . 4834 1 903 . 1 1 126 126 ASN CB C 13 39.7 0.10 . 1 . . . . . . . . 4834 1 904 . 1 1 126 126 ASN N N 15 119.1 0.10 . 1 . . . . . . . . 4834 1 905 . 1 1 127 127 ARG H H 1 8.13 0.02 . 1 . . . . . . . . 4834 1 906 . 1 1 127 127 ARG HA H 1 5.35 0.02 . 1 . . . . . . . . 4834 1 907 . 1 1 127 127 ARG HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4834 1 908 . 1 1 127 127 ARG HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4834 1 909 . 1 1 127 127 ARG C C 13 176.3 0.10 . 1 . . . . . . . . 4834 1 910 . 1 1 127 127 ARG CA C 13 54.2 0.10 . 1 . . . . . . . . 4834 1 911 . 1 1 127 127 ARG CB C 13 33.7 0.10 . 1 . . . . . . . . 4834 1 912 . 1 1 127 127 ARG N N 15 112.2 0.10 . 1 . . . . . . . . 4834 1 913 . 1 1 128 128 ILE H H 1 8.35 0.02 . 1 . . . . . . . . 4834 1 914 . 1 1 128 128 ILE HA H 1 5.22 0.02 . 1 . . . . . . . . 4834 1 915 . 1 1 128 128 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 4834 1 916 . 1 1 128 128 ILE C C 13 174.2 0.10 . 1 . . . . . . . . 4834 1 917 . 1 1 128 128 ILE CA C 13 59.6 0.10 . 1 . . . . . . . . 4834 1 918 . 1 1 128 128 ILE CB C 13 43.6 0.10 . 1 . . . . . . . . 4834 1 919 . 1 1 128 128 ILE N N 15 112.4 0.10 . 1 . . . . . . . . 4834 1 920 . 1 1 129 129 THR H H 1 8.28 0.02 . 1 . . . . . . . . 4834 1 921 . 1 1 129 129 THR HA H 1 5.29 0.02 . 1 . . . . . . . . 4834 1 922 . 1 1 129 129 THR HB H 1 3.85 0.02 . 1 . . . . . . . . 4834 1 923 . 1 1 129 129 THR C C 13 174.2 0.10 . 1 . . . . . . . . 4834 1 924 . 1 1 129 129 THR CA C 13 61.3 0.10 . 1 . . . . . . . . 4834 1 925 . 1 1 129 129 THR CB C 13 70.1 0.10 . 1 . . . . . . . . 4834 1 926 . 1 1 129 129 THR N N 15 117.5 0.10 . 1 . . . . . . . . 4834 1 927 . 1 1 130 130 ILE H H 1 9.23 0.02 . 1 . . . . . . . . 4834 1 928 . 1 1 130 130 ILE HA H 1 5.22 0.02 . 1 . . . . . . . . 4834 1 929 . 1 1 130 130 ILE HB H 1 1.45 0.02 . 1 . . . . . . . . 4834 1 930 . 1 1 130 130 ILE C C 13 174.8 0.10 . 1 . . . . . . . . 4834 1 931 . 1 1 130 130 ILE CA C 13 57.9 0.10 . 1 . . . . . . . . 4834 1 932 . 1 1 130 130 ILE CB C 13 41.3 0.10 . 1 . . . . . . . . 4834 1 933 . 1 1 130 130 ILE N N 15 124.6 0.10 . 1 . . . . . . . . 4834 1 934 . 1 1 131 131 LYS H H 1 8.84 0.02 . 1 . . . . . . . . 4834 1 935 . 1 1 131 131 LYS HA H 1 5.29 0.02 . 1 . . . . . . . . 4834 1 936 . 1 1 131 131 LYS HB2 H 1 1.90 0.02 . 2 . . . . . . . . 4834 1 937 . 1 1 131 131 LYS HB3 H 1 1.64 0.02 . 2 . . . . . . . . 4834 1 938 . 1 1 131 131 LYS C C 13 175.0 0.10 . 1 . . . . . . . . 4834 1 939 . 1 1 131 131 LYS CA C 13 55.0 0.10 . 1 . . . . . . . . 4834 1 940 . 1 1 131 131 LYS CB C 13 35.6 0.10 . 1 . . . . . . . . 4834 1 941 . 1 1 131 131 LYS N N 15 124.2 0.10 . 1 . . . . . . . . 4834 1 942 . 1 1 132 132 ALA H H 1 9.06 0.02 . 1 . . . . . . . . 4834 1 943 . 1 1 132 132 ALA HA H 1 4.83 0.02 . 1 . . . . . . . . 4834 1 944 . 1 1 132 132 ALA HB1 H 1 1.32 0.02 . 1 . . . . . . . . 4834 1 945 . 1 1 132 132 ALA HB2 H 1 1.32 0.02 . 1 . . . . . . . . 4834 1 946 . 1 1 132 132 ALA HB3 H 1 1.32 0.02 . 1 . . . . . . . . 4834 1 947 . 1 1 132 132 ALA C C 13 175.1 0.10 . 1 . . . . . . . . 4834 1 948 . 1 1 132 132 ALA CA C 13 50.6 0.10 . 1 . . . . . . . . 4834 1 949 . 1 1 132 132 ALA CB C 13 24.5 0.10 . 1 . . . . . . . . 4834 1 950 . 1 1 132 132 ALA N N 15 125.1 0.10 . 1 . . . . . . . . 4834 1 951 . 1 1 133 133 LYS H H 1 8.66 0.02 . 1 . . . . . . . . 4834 1 952 . 1 1 133 133 LYS HA H 1 5.68 0.02 . 1 . . . . . . . . 4834 1 953 . 1 1 133 133 LYS HB2 H 1 1.77 0.02 . 2 . . . . . . . . 4834 1 954 . 1 1 133 133 LYS HB3 H 1 1.71 0.02 . 2 . . . . . . . . 4834 1 955 . 1 1 133 133 LYS C C 13 175.7 0.10 . 1 . . . . . . . . 4834 1 956 . 1 1 133 133 LYS CA C 13 53.3 0.10 . 1 . . . . . . . . 4834 1 957 . 1 1 133 133 LYS CB C 13 35.9 0.10 . 1 . . . . . . . . 4834 1 958 . 1 1 133 133 LYS N N 15 118.9 0.10 . 1 . . . . . . . . 4834 1 959 . 1 1 134 134 ASP H H 1 8.56 0.02 . 1 . . . . . . . . 4834 1 960 . 1 1 134 134 ASP HA H 1 5.29 0.02 . 1 . . . . . . . . 4834 1 961 . 1 1 134 134 ASP HB2 H 1 3.98 0.02 . 2 . . . . . . . . 4834 1 962 . 1 1 134 134 ASP HB3 H 1 2.68 0.02 . 2 . . . . . . . . 4834 1 963 . 1 1 134 134 ASP C C 13 177.8 0.10 . 1 . . . . . . . . 4834 1 964 . 1 1 134 134 ASP CA C 13 51.6 0.10 . 1 . . . . . . . . 4834 1 965 . 1 1 134 134 ASP CB C 13 41.3 0.10 . 1 . . . . . . . . 4834 1 966 . 1 1 134 134 ASP N N 15 120.2 0.10 . 1 . . . . . . . . 4834 1 967 . 1 1 135 135 ILE H H 1 8.54 0.02 . 1 . . . . . . . . 4834 1 968 . 1 1 135 135 ILE HA H 1 3.85 0.02 . 1 . . . . . . . . 4834 1 969 . 1 1 135 135 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 4834 1 970 . 1 1 135 135 ILE C C 13 175.6 0.10 . 1 . . . . . . . . 4834 1 971 . 1 1 135 135 ILE CA C 13 64.6 0.10 . 1 . . . . . . . . 4834 1 972 . 1 1 135 135 ILE CB C 13 39.3 0.10 . 1 . . . . . . . . 4834 1 973 . 1 1 135 135 ILE N N 15 113.8 0.10 . 1 . . . . . . . . 4834 1 974 . 1 1 136 136 GLU H H 1 7.66 0.02 . 1 . . . . . . . . 4834 1 975 . 1 1 136 136 GLU HA H 1 4.50 0.02 . 1 . . . . . . . . 4834 1 976 . 1 1 136 136 GLU HB2 H 1 2.36 0.02 . 2 . . . . . . . . 4834 1 977 . 1 1 136 136 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4834 1 978 . 1 1 136 136 GLU C C 13 177.3 0.10 . 1 . . . . . . . . 4834 1 979 . 1 1 136 136 GLU CA C 13 54.8 0.10 . 1 . . . . . . . . 4834 1 980 . 1 1 136 136 GLU CB C 13 29.7 0.10 . 1 . . . . . . . . 4834 1 981 . 1 1 136 136 GLU N N 15 117.5 0.10 . 1 . . . . . . . . 4834 1 982 . 1 1 137 137 GLY H H 1 8.56 0.02 . 1 . . . . . . . . 4834 1 983 . 1 1 137 137 GLY HA2 H 1 4.31 0.02 . 2 . . . . . . . . 4834 1 984 . 1 1 137 137 GLY HA3 H 1 3.46 0.02 . 2 . . . . . . . . 4834 1 985 . 1 1 137 137 GLY C C 13 174.1 0.10 . 1 . . . . . . . . 4834 1 986 . 1 1 137 137 GLY CA C 13 45.5 0.10 . 1 . . . . . . . . 4834 1 987 . 1 1 137 137 GLY N N 15 108.2 0.10 . 1 . . . . . . . . 4834 1 988 . 1 1 138 138 ASN H H 1 8.97 0.02 . 1 . . . . . . . . 4834 1 989 . 1 1 138 138 ASN HA H 1 4.77 0.02 . 1 . . . . . . . . 4834 1 990 . 1 1 138 138 ASN HB2 H 1 2.88 0.02 . 2 . . . . . . . . 4834 1 991 . 1 1 138 138 ASN HB3 H 1 2.68 0.02 . 2 . . . . . . . . 4834 1 992 . 1 1 138 138 ASN C C 13 175.3 0.10 . 1 . . . . . . . . 4834 1 993 . 1 1 138 138 ASN CA C 13 53.0 0.10 . 1 . . . . . . . . 4834 1 994 . 1 1 138 138 ASN CB C 13 38.7 0.10 . 1 . . . . . . . . 4834 1 995 . 1 1 138 138 ASN N N 15 120.4 0.10 . 1 . . . . . . . . 4834 1 996 . 1 1 139 139 ASP H H 1 8.70 0.02 . 1 . . . . . . . . 4834 1 997 . 1 1 139 139 ASP HA H 1 4.90 0.02 . 1 . . . . . . . . 4834 1 998 . 1 1 139 139 ASP HB2 H 1 2.62 0.02 . 1 . . . . . . . . 4834 1 999 . 1 1 139 139 ASP HB3 H 1 2.62 0.02 . 1 . . . . . . . . 4834 1 1000 . 1 1 139 139 ASP C C 13 175.6 0.10 . 1 . . . . . . . . 4834 1 1001 . 1 1 139 139 ASP CA C 13 55.8 0.10 . 1 . . . . . . . . 4834 1 1002 . 1 1 139 139 ASP CB C 13 42.1 0.10 . 1 . . . . . . . . 4834 1 1003 . 1 1 139 139 ASP N N 15 120.4 0.10 . 1 . . . . . . . . 4834 1 1004 . 1 1 140 140 ILE H H 1 8.72 0.02 . 1 . . . . . . . . 4834 1 1005 . 1 1 140 140 ILE HA H 1 4.57 0.02 . 1 . . . . . . . . 4834 1 1006 . 1 1 140 140 ILE HB H 1 1.64 0.02 . 1 . . . . . . . . 4834 1 1007 . 1 1 140 140 ILE C C 13 173.9 0.10 . 1 . . . . . . . . 4834 1 1008 . 1 1 140 140 ILE CA C 13 58.9 0.10 . 1 . . . . . . . . 4834 1 1009 . 1 1 140 140 ILE CB C 13 41.1 0.10 . 1 . . . . . . . . 4834 1 1010 . 1 1 140 140 ILE N N 15 122.2 0.10 . 1 . . . . . . . . 4834 1 1011 . 1 1 141 141 GLN H H 1 8.38 0.02 . 1 . . . . . . . . 4834 1 1012 . 1 1 141 141 GLN HA H 1 4.96 0.02 . 1 . . . . . . . . 4834 1 1013 . 1 1 141 141 GLN HB2 H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 1014 . 1 1 141 141 GLN HB3 H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 1015 . 1 1 141 141 GLN C C 13 174.6 0.10 . 1 . . . . . . . . 4834 1 1016 . 1 1 141 141 GLN CA C 13 55.3 0.10 . 1 . . . . . . . . 4834 1 1017 . 1 1 141 141 GLN CB C 13 31.5 0.10 . 1 . . . . . . . . 4834 1 1018 . 1 1 141 141 GLN N N 15 125.7 0.10 . 1 . . . . . . . . 4834 1 1019 . 1 1 142 142 LEU H H 1 8.66 0.02 . 1 . . . . . . . . 4834 1 1020 . 1 1 142 142 LEU HA H 1 4.77 0.02 . 1 . . . . . . . . 4834 1 1021 . 1 1 142 142 LEU HB2 H 1 1.05 0.02 . 2 . . . . . . . . 4834 1 1022 . 1 1 142 142 LEU C C 13 174.6 0.10 . 1 . . . . . . . . 4834 1 1023 . 1 1 142 142 LEU CA C 13 53.2 0.10 . 1 . . . . . . . . 4834 1 1024 . 1 1 142 142 LEU CB C 13 46.0 0.10 . 1 . . . . . . . . 4834 1 1025 . 1 1 142 142 LEU N N 15 124.0 0.10 . 1 . . . . . . . . 4834 1 1026 . 1 1 143 143 ARG H H 1 8.63 0.02 . 1 . . . . . . . . 4834 1 1027 . 1 1 143 143 ARG HA H 1 4.96 0.02 . 1 . . . . . . . . 4834 1 1028 . 1 1 143 143 ARG HB2 H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 1029 . 1 1 143 143 ARG HB3 H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 1030 . 1 1 143 143 ARG C C 13 175.3 0.10 . 1 . . . . . . . . 4834 1 1031 . 1 1 143 143 ARG CA C 13 55.3 0.10 . 1 . . . . . . . . 4834 1 1032 . 1 1 143 143 ARG CB C 13 30.5 0.10 . 1 . . . . . . . . 4834 1 1033 . 1 1 143 143 ARG N N 15 124.4 0.10 . 1 . . . . . . . . 4834 1 1034 . 1 1 144 144 LEU H H 1 8.70 0.02 . 1 . . . . . . . . 4834 1 1035 . 1 1 144 144 LEU HA H 1 5.61 0.02 . 1 . . . . . . . . 4834 1 1036 . 1 1 144 144 LEU HB2 H 1 1.71 0.02 . 1 . . . . . . . . 4834 1 1037 . 1 1 144 144 LEU HB3 H 1 1.71 0.02 . 1 . . . . . . . . 4834 1 1038 . 1 1 144 144 LEU C C 13 175.4 0.10 . 1 . . . . . . . . 4834 1 1039 . 1 1 144 144 LEU CA C 13 53.4 0.10 . 1 . . . . . . . . 4834 1 1040 . 1 1 144 144 LEU CB C 13 47.2 0.10 . 1 . . . . . . . . 4834 1 1041 . 1 1 144 144 LEU N N 15 123.7 0.10 . 1 . . . . . . . . 4834 1 1042 . 1 1 145 145 LYS H H 1 8.53 0.02 . 1 . . . . . . . . 4834 1 1043 . 1 1 145 145 LYS HA H 1 5.74 0.02 . 1 . . . . . . . . 4834 1 1044 . 1 1 145 145 LYS HB2 H 1 1.71 0.02 . 1 . . . . . . . . 4834 1 1045 . 1 1 145 145 LYS HB3 H 1 1.71 0.02 . 1 . . . . . . . . 4834 1 1046 . 1 1 145 145 LYS C C 13 176.9 0.10 . 1 . . . . . . . . 4834 1 1047 . 1 1 145 145 LYS CA C 13 54.2 0.10 . 1 . . . . . . . . 4834 1 1048 . 1 1 145 145 LYS CB C 13 37.2 0.10 . 1 . . . . . . . . 4834 1 1049 . 1 1 145 145 LYS N N 15 120.4 0.10 . 1 . . . . . . . . 4834 1 1050 . 1 1 146 146 GLY H H 1 8.81 0.02 . 1 . . . . . . . . 4834 1 1051 . 1 1 146 146 GLY HA2 H 1 4.05 0.02 . 2 . . . . . . . . 4834 1 1052 . 1 1 146 146 GLY HA3 H 1 3.53 0.02 . 2 . . . . . . . . 4834 1 1053 . 1 1 146 146 GLY C C 13 175.0 0.10 . 1 . . . . . . . . 4834 1 1054 . 1 1 146 146 GLY CA C 13 46.3 0.10 . 1 . . . . . . . . 4834 1 1055 . 1 1 146 146 GLY N N 15 110.4 0.10 . 1 . . . . . . . . 4834 1 1056 . 1 1 147 147 TYR H H 1 9.71 0.02 . 1 . . . . . . . . 4834 1 1057 . 1 1 147 147 TYR HA H 1 4.35 0.02 . 1 . . . . . . . . 4834 1 1058 . 1 1 147 147 TYR HB2 H 1 3.81 0.02 . 2 . . . . . . . . 4834 1 1059 . 1 1 147 147 TYR HB3 H 1 3.12 0.02 . 2 . . . . . . . . 4834 1 1060 . 1 1 147 147 TYR CA C 13 63.2 0.10 . 1 . . . . . . . . 4834 1 1061 . 1 1 147 147 TYR CB C 13 36.0 0.10 . 1 . . . . . . . . 4834 1 1062 . 1 1 147 147 TYR N N 15 125.5 0.10 . 1 . . . . . . . . 4834 1 1063 . 1 1 148 148 PRO HA H 1 3.66 0.02 . 1 . . . . . . . . 4834 1 1064 . 1 1 148 148 PRO HB2 H 1 1.38 0.02 . 2 . . . . . . . . 4834 1 1065 . 1 1 148 148 PRO HB3 H 1 1.12 0.02 . 2 . . . . . . . . 4834 1 1066 . 1 1 148 148 PRO C C 13 178.2 0.10 . 1 . . . . . . . . 4834 1 1067 . 1 1 148 148 PRO CA C 13 65.9 0.10 . 1 . . . . . . . . 4834 1 1068 . 1 1 148 148 PRO CB C 13 30.4 0.10 . 1 . . . . . . . . 4834 1 1069 . 1 1 149 149 ALA H H 1 6.54 0.02 . 1 . . . . . . . . 4834 1 1070 . 1 1 149 149 ALA HA H 1 3.72 0.02 . 1 . . . . . . . . 4834 1 1071 . 1 1 149 149 ALA HB1 H 1 1.19 0.02 . 1 . . . . . . . . 4834 1 1072 . 1 1 149 149 ALA HB2 H 1 1.19 0.02 . 1 . . . . . . . . 4834 1 1073 . 1 1 149 149 ALA HB3 H 1 1.19 0.02 . 1 . . . . . . . . 4834 1 1074 . 1 1 149 149 ALA C C 13 181.0 0.10 . 1 . . . . . . . . 4834 1 1075 . 1 1 149 149 ALA CA C 13 55.3 0.10 . 1 . . . . . . . . 4834 1 1076 . 1 1 149 149 ALA CB C 13 17.4 0.10 . 1 . . . . . . . . 4834 1 1077 . 1 1 149 149 ALA N N 15 116.6 0.10 . 1 . . . . . . . . 4834 1 1078 . 1 1 150 150 ILE H H 1 8.13 0.02 . 1 . . . . . . . . 4834 1 1079 . 1 1 150 150 ILE HA H 1 3.40 0.02 . 1 . . . . . . . . 4834 1 1080 . 1 1 150 150 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 4834 1 1081 . 1 1 150 150 ILE C C 13 176.6 0.10 . 1 . . . . . . . . 4834 1 1082 . 1 1 150 150 ILE CA C 13 66.4 0.10 . 1 . . . . . . . . 4834 1 1083 . 1 1 150 150 ILE CB C 13 37.2 0.10 . 1 . . . . . . . . 4834 1 1084 . 1 1 150 150 ILE N N 15 123.7 0.10 . 1 . . . . . . . . 4834 1 1085 . 1 1 151 151 VAL H H 1 7.73 0.02 . 1 . . . . . . . . 4834 1 1086 . 1 1 151 151 VAL HA H 1 3.40 0.02 . 1 . . . . . . . . 4834 1 1087 . 1 1 151 151 VAL HB H 1 1.64 0.02 . 1 . . . . . . . . 4834 1 1088 . 1 1 151 151 VAL C C 13 178.8 0.10 . 1 . . . . . . . . 4834 1 1089 . 1 1 151 151 VAL CA C 13 66.7 0.10 . 1 . . . . . . . . 4834 1 1090 . 1 1 151 151 VAL CB C 13 32.0 0.10 . 1 . . . . . . . . 4834 1 1091 . 1 1 151 151 VAL N N 15 119.5 0.10 . 1 . . . . . . . . 4834 1 1092 . 1 1 152 152 PHE H H 1 8.26 0.02 . 1 . . . . . . . . 4834 1 1093 . 1 1 152 152 PHE HA H 1 3.79 0.02 . 1 . . . . . . . . 4834 1 1094 . 1 1 152 152 PHE HB2 H 1 2.94 0.02 . 2 . . . . . . . . 4834 1 1095 . 1 1 152 152 PHE HB3 H 1 2.49 0.02 . 2 . . . . . . . . 4834 1 1096 . 1 1 152 152 PHE C C 13 178.7 0.10 . 1 . . . . . . . . 4834 1 1097 . 1 1 152 152 PHE CA C 13 63.3 0.10 . 1 . . . . . . . . 4834 1 1098 . 1 1 152 152 PHE CB C 13 39.3 0.10 . 1 . . . . . . . . 4834 1 1099 . 1 1 152 152 PHE N N 15 114.9 0.10 . 1 . . . . . . . . 4834 1 1100 . 1 1 153 153 GLN H H 1 7.91 0.02 . 1 . . . . . . . . 4834 1 1101 . 1 1 153 153 GLN HA H 1 3.92 0.02 . 1 . . . . . . . . 4834 1 1102 . 1 1 153 153 GLN HB2 H 1 2.29 0.02 . 2 . . . . . . . . 4834 1 1103 . 1 1 153 153 GLN HB3 H 1 2.16 0.02 . 2 . . . . . . . . 4834 1 1104 . 1 1 153 153 GLN C C 13 177.2 0.10 . 1 . . . . . . . . 4834 1 1105 . 1 1 153 153 GLN CA C 13 60.2 0.10 . 1 . . . . . . . . 4834 1 1106 . 1 1 153 153 GLN CB C 13 30.7 0.10 . 1 . . . . . . . . 4834 1 1107 . 1 1 153 153 GLN N N 15 116.4 0.10 . 1 . . . . . . . . 4834 1 1108 . 1 1 154 154 HIS H H 1 8.39 0.02 . 1 . . . . . . . . 4834 1 1109 . 1 1 154 154 HIS HA H 1 4.05 0.02 . 1 . . . . . . . . 4834 1 1110 . 1 1 154 154 HIS HB2 H 1 3.66 0.02 . 1 . . . . . . . . 4834 1 1111 . 1 1 154 154 HIS HB3 H 1 3.14 0.02 . 1 . . . . . . . . 4834 1 1112 . 1 1 154 154 HIS C C 13 178.2 0.10 . 1 . . . . . . . . 4834 1 1113 . 1 1 154 154 HIS CA C 13 59.6 0.10 . 1 . . . . . . . . 4834 1 1114 . 1 1 154 154 HIS CB C 13 28.0 0.10 . 1 . . . . . . . . 4834 1 1115 . 1 1 154 154 HIS N N 15 119.7 0.10 . 1 . . . . . . . . 4834 1 1116 . 1 1 155 155 GLU H H 1 8.31 0.02 . 1 . . . . . . . . 4834 1 1117 . 1 1 155 155 GLU HA H 1 4.70 0.02 . 1 . . . . . . . . 4834 1 1118 . 1 1 155 155 GLU C C 13 179.1 0.10 . 1 . . . . . . . . 4834 1 1119 . 1 1 155 155 GLU CA C 13 59.1 0.10 . 1 . . . . . . . . 4834 1 1120 . 1 1 155 155 GLU CB C 13 29.3 0.10 . 1 . . . . . . . . 4834 1 1121 . 1 1 155 155 GLU N N 15 117.5 0.10 . 1 . . . . . . . . 4834 1 1122 . 1 1 156 156 ILE H H 1 8.75 0.02 . 1 . . . . . . . . 4834 1 1123 . 1 1 156 156 ILE HA H 1 3.53 0.02 . 1 . . . . . . . . 4834 1 1124 . 1 1 156 156 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 4834 1 1125 . 1 1 156 156 ILE C C 13 178.8 0.10 . 1 . . . . . . . . 4834 1 1126 . 1 1 156 156 ILE CA C 13 66.9 0.10 . 1 . . . . . . . . 4834 1 1127 . 1 1 156 156 ILE CB C 13 37.6 0.10 . 1 . . . . . . . . 4834 1 1128 . 1 1 156 156 ILE N N 15 120.0 0.10 . 1 . . . . . . . . 4834 1 1129 . 1 1 157 157 ASP H H 1 8.35 0.02 . 1 . . . . . . . . 4834 1 1130 . 1 1 157 157 ASP HA H 1 4.46 0.02 . 1 . . . . . . . . 4834 1 1131 . 1 1 157 157 ASP HB2 H 1 3.06 0.02 . 2 . . . . . . . . 4834 1 1132 . 1 1 157 157 ASP HB3 H 1 2.42 0.02 . 2 . . . . . . . . 4834 1 1133 . 1 1 157 157 ASP C C 13 180.7 0.10 . 1 . . . . . . . . 4834 1 1134 . 1 1 157 157 ASP CA C 13 57.2 0.10 . 1 . . . . . . . . 4834 1 1135 . 1 1 157 157 ASP CB C 13 38.9 0.10 . 1 . . . . . . . . 4834 1 1136 . 1 1 157 157 ASP N N 15 120.3 0.10 . 1 . . . . . . . . 4834 1 1137 . 1 1 158 158 HIS H H 1 7.38 0.02 . 1 . . . . . . . . 4834 1 1138 . 1 1 158 158 HIS HA H 1 4.78 0.02 . 1 . . . . . . . . 4834 1 1139 . 1 1 158 158 HIS HB2 H 1 2.62 0.02 . 1 . . . . . . . . 4834 1 1140 . 1 1 158 158 HIS HB3 H 1 2.62 0.02 . 1 . . . . . . . . 4834 1 1141 . 1 1 158 158 HIS C C 13 180.2 0.10 . 1 . . . . . . . . 4834 1 1142 . 1 1 158 158 HIS CA C 13 59.2 0.10 . 1 . . . . . . . . 4834 1 1143 . 1 1 158 158 HIS CB C 13 29.4 0.10 . 1 . . . . . . . . 4834 1 1144 . 1 1 158 158 HIS N N 15 114.4 0.10 . 1 . . . . . . . . 4834 1 1145 . 1 1 159 159 LEU H H 1 8.17 0.02 . 1 . . . . . . . . 4834 1 1146 . 1 1 159 159 LEU HA H 1 4.11 0.02 . 1 . . . . . . . . 4834 1 1147 . 1 1 159 159 LEU HB2 H 1 1.43 0.02 . 1 . . . . . . . . 4834 1 1148 . 1 1 159 159 LEU HB3 H 1 1.43 0.02 . 1 . . . . . . . . 4834 1 1149 . 1 1 159 159 LEU C C 13 176.0 0.10 . 1 . . . . . . . . 4834 1 1150 . 1 1 159 159 LEU CA C 13 56.2 0.10 . 1 . . . . . . . . 4834 1 1151 . 1 1 159 159 LEU CB C 13 40.2 0.10 . 1 . . . . . . . . 4834 1 1152 . 1 1 159 159 LEU N N 15 116.2 0.10 . 1 . . . . . . . . 4834 1 1153 . 1 1 160 160 ASN H H 1 7.69 0.10 . 1 . . . . . . . . 4834 1 1154 . 1 1 160 160 ASN HA H 1 5.16 0.10 . 1 . . . . . . . . 4834 1 1155 . 1 1 160 160 ASN HB2 H 1 3.27 0.02 . 2 . . . . . . . . 4834 1 1156 . 1 1 160 160 ASN HB3 H 1 2.75 0.02 . 2 . . . . . . . . 4834 1 1157 . 1 1 160 160 ASN C C 13 174.5 0.02 . 1 . . . . . . . . 4834 1 1158 . 1 1 160 160 ASN CA C 13 51.8 0.10 . 1 . . . . . . . . 4834 1 1159 . 1 1 160 160 ASN CB C 13 39.9 0.10 . 1 . . . . . . . . 4834 1 1160 . 1 1 160 160 ASN N N 15 115.8 0.10 . 1 . . . . . . . . 4834 1 1161 . 1 1 161 161 GLY H H 1 7.63 0.02 . 1 . . . . . . . . 4834 1 1162 . 1 1 161 161 GLY HA2 H 1 4.11 0.02 . 2 . . . . . . . . 4834 1 1163 . 1 1 161 161 GLY HA3 H 1 3.59 0.02 . 2 . . . . . . . . 4834 1 1164 . 1 1 161 161 GLY C C 13 173.2 0.10 . 1 . . . . . . . . 4834 1 1165 . 1 1 161 161 GLY CA C 13 46.9 0.10 . 1 . . . . . . . . 4834 1 1166 . 1 1 161 161 GLY N N 15 108.7 0.10 . 1 . . . . . . . . 4834 1 1167 . 1 1 162 162 VAL H H 1 7.64 0.02 . 1 . . . . . . . . 4834 1 1168 . 1 1 162 162 VAL HA H 1 3.72 0.02 . 1 . . . . . . . . 4834 1 1169 . 1 1 162 162 VAL HB H 1 1.63 0.02 . 1 . . . . . . . . 4834 1 1170 . 1 1 162 162 VAL C C 13 175.0 0.10 . 1 . . . . . . . . 4834 1 1171 . 1 1 162 162 VAL CA C 13 62.5 0.10 . 1 . . . . . . . . 4834 1 1172 . 1 1 162 162 VAL CB C 13 34.2 0.10 . 1 . . . . . . . . 4834 1 1173 . 1 1 162 162 VAL N N 15 120.6 0.10 . 1 . . . . . . . . 4834 1 1174 . 1 1 163 163 MET H H 1 7.51 0.02 . 1 . . . . . . . . 4834 1 1175 . 1 1 163 163 MET C C 13 178.8 0.10 . 1 . . . . . . . . 4834 1 1176 . 1 1 163 163 MET CA C 13 51.3 0.10 . 1 . . . . . . . . 4834 1 1177 . 1 1 163 163 MET CB C 13 33.5 0.10 . 1 . . . . . . . . 4834 1 1178 . 1 1 163 163 MET N N 15 124.4 0.10 . 1 . . . . . . . . 4834 1 1179 . 1 1 164 164 PHE H H 1 8.39 0.02 . 1 . . . . . . . . 4834 1 1180 . 1 1 164 164 PHE C C 13 175.4 0.10 . 1 . . . . . . . . 4834 1 1181 . 1 1 164 164 PHE CA C 13 60.6 0.10 . 1 . . . . . . . . 4834 1 1182 . 1 1 164 164 PHE CB C 13 33.5 0.10 . 1 . . . . . . . . 4834 1 1183 . 1 1 164 164 PHE N N 15 118.0 0.10 . 1 . . . . . . . . 4834 1 1184 . 1 1 165 165 TYR H H 1 5.06 0.02 . 1 . . . . . . . . 4834 1 1185 . 1 1 165 165 TYR HA H 1 3.98 0.02 . 1 . . . . . . . . 4834 1 1186 . 1 1 165 165 TYR HB2 H 1 3.01 0.02 . 1 . . . . . . . . 4834 1 1187 . 1 1 165 165 TYR HB3 H 1 3.01 0.02 . 1 . . . . . . . . 4834 1 1188 . 1 1 165 165 TYR C C 13 177.1 0.10 . 1 . . . . . . . . 4834 1 1189 . 1 1 165 165 TYR CA C 13 56.0 0.10 . 1 . . . . . . . . 4834 1 1190 . 1 1 165 165 TYR N N 15 112.2 0.10 . 1 . . . . . . . . 4834 1 1191 . 1 1 166 166 ASP H H 1 7.58 0.02 . 1 . . . . . . . . 4834 1 1192 . 1 1 166 166 ASP HA H 1 4.18 0.02 . 1 . . . . . . . . 4834 1 1193 . 1 1 166 166 ASP HB2 H 1 2.49 0.02 . 1 . . . . . . . . 4834 1 1194 . 1 1 166 166 ASP HB3 H 1 2.49 0.02 . 1 . . . . . . . . 4834 1 1195 . 1 1 166 166 ASP C C 13 177.3 0.10 . 1 . . . . . . . . 4834 1 1196 . 1 1 166 166 ASP CA C 13 56.5 0.10 . 1 . . . . . . . . 4834 1 1197 . 1 1 166 166 ASP CB C 13 40.2 0.10 . 1 . . . . . . . . 4834 1 1198 . 1 1 166 166 ASP N N 15 126.6 0.10 . 1 . . . . . . . . 4834 1 1199 . 1 1 167 167 HIS H H 1 7.19 0.02 . 1 . . . . . . . . 4834 1 1200 . 1 1 167 167 HIS HA H 1 4.57 0.02 . 1 . . . . . . . . 4834 1 1201 . 1 1 167 167 HIS HB2 H 1 3.46 0.02 . 1 . . . . . . . . 4834 1 1202 . 1 1 167 167 HIS HB3 H 1 3.46 0.02 . 1 . . . . . . . . 4834 1 1203 . 1 1 167 167 HIS C C 13 176.2 0.10 . 1 . . . . . . . . 4834 1 1204 . 1 1 167 167 HIS CA C 13 55.7 0.10 . 1 . . . . . . . . 4834 1 1205 . 1 1 167 167 HIS CB C 13 33.2 0.10 . 1 . . . . . . . . 4834 1 1206 . 1 1 167 167 HIS N N 15 113.3 0.10 . 1 . . . . . . . . 4834 1 1207 . 1 1 168 168 ILE H H 1 7.20 0.02 . 1 . . . . . . . . 4834 1 1208 . 1 1 168 168 ILE HA H 1 3.98 0.02 . 1 . . . . . . . . 4834 1 1209 . 1 1 168 168 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 4834 1 1210 . 1 1 168 168 ILE C C 13 176.2 0.10 . 1 . . . . . . . . 4834 1 1211 . 1 1 168 168 ILE CA C 13 62.5 0.10 . 1 . . . . . . . . 4834 1 1212 . 1 1 168 168 ILE CB C 13 39.0 0.10 . 1 . . . . . . . . 4834 1 1213 . 1 1 168 168 ILE N N 15 121.3 0.10 . 1 . . . . . . . . 4834 1 1214 . 1 1 169 169 ASP H H 1 9.21 0.02 . 1 . . . . . . . . 4834 1 1215 . 1 1 169 169 ASP HA H 1 4.50 0.02 . 1 . . . . . . . . 4834 1 1216 . 1 1 169 169 ASP HB2 H 1 2.81 0.02 . 1 . . . . . . . . 4834 1 1217 . 1 1 169 169 ASP HB3 H 1 2.68 0.02 . 1 . . . . . . . . 4834 1 1218 . 1 1 169 169 ASP C C 13 176.2 0.10 . 1 . . . . . . . . 4834 1 1219 . 1 1 169 169 ASP CA C 13 54.5 0.10 . 1 . . . . . . . . 4834 1 1220 . 1 1 169 169 ASP CB C 13 42.1 0.10 . 1 . . . . . . . . 4834 1 1221 . 1 1 169 169 ASP N N 15 131.0 0.10 . 1 . . . . . . . . 4834 1 1222 . 1 1 170 170 LYS H H 1 8.38 0.02 . 1 . . . . . . . . 4834 1 1223 . 1 1 170 170 LYS HA H 1 3.98 0.02 . 1 . . . . . . . . 4834 1 1224 . 1 1 170 170 LYS HB2 H 1 1.84 0.02 . 1 . . . . . . . . 4834 1 1225 . 1 1 170 170 LYS HB3 H 1 1.84 0.02 . 1 . . . . . . . . 4834 1 1226 . 1 1 170 170 LYS C C 13 177.6 0.10 . 1 . . . . . . . . 4834 1 1227 . 1 1 170 170 LYS CA C 13 58.4 0.10 . 1 . . . . . . . . 4834 1 1228 . 1 1 170 170 LYS CB C 13 32.3 0.10 . 1 . . . . . . . . 4834 1 1229 . 1 1 170 170 LYS N N 15 123.5 0.10 . 1 . . . . . . . . 4834 1 1230 . 1 1 171 171 ASP H H 1 8.10 0.02 . 1 . . . . . . . . 4834 1 1231 . 1 1 171 171 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 4834 1 1232 . 1 1 171 171 ASP HB2 H 1 2.49 0.02 . 2 . . . . . . . . 4834 1 1233 . 1 1 171 171 ASP HB3 H 1 2.16 0.02 . 2 . . . . . . . . 4834 1 1234 . 1 1 171 171 ASP C C 13 176.3 0.10 . 1 . . . . . . . . 4834 1 1235 . 1 1 171 171 ASP CA C 13 56.0 0.10 . 1 . . . . . . . . 4834 1 1236 . 1 1 171 171 ASP CB C 13 41.8 0.10 . 1 . . . . . . . . 4834 1 1237 . 1 1 171 171 ASP N N 15 117.1 0.10 . 1 . . . . . . . . 4834 1 1238 . 1 1 172 172 HIS H H 1 8.08 0.02 . 1 . . . . . . . . 4834 1 1239 . 1 1 172 172 HIS CA C 13 53.3 0.10 . 1 . . . . . . . . 4834 1 1240 . 1 1 172 172 HIS CB C 13 29.2 0.10 . 1 . . . . . . . . 4834 1 1241 . 1 1 172 172 HIS N N 15 116.2 0.10 . 1 . . . . . . . . 4834 1 1242 . 1 1 173 173 PRO HA H 1 4.64 0.02 . 1 . . . . . . . . 4834 1 1243 . 1 1 173 173 PRO HB2 H 1 2.48 0.02 . 1 . . . . . . . . 4834 1 1244 . 1 1 173 173 PRO HB3 H 1 2.48 0.02 . 1 . . . . . . . . 4834 1 1245 . 1 1 173 173 PRO C C 13 177.3 0.10 . 1 . . . . . . . . 4834 1 1246 . 1 1 173 173 PRO CA C 13 65.7 0.10 . 1 . . . . . . . . 4834 1 1247 . 1 1 173 173 PRO CB C 13 32.6 0.10 . 1 . . . . . . . . 4834 1 1248 . 1 1 174 174 LEU H H 1 8.45 0.02 . 1 . . . . . . . . 4834 1 1249 . 1 1 174 174 LEU HA H 1 4.70 0.02 . 1 . . . . . . . . 4834 1 1250 . 1 1 174 174 LEU HB2 H 1 2.29 0.02 . 2 . . . . . . . . 4834 1 1251 . 1 1 174 174 LEU HB3 H 1 1.70 0.02 . 2 . . . . . . . . 4834 1 1252 . 1 1 174 174 LEU C C 13 175.8 0.10 . 1 . . . . . . . . 4834 1 1253 . 1 1 174 174 LEU CA C 13 53.3 0.10 . 1 . . . . . . . . 4834 1 1254 . 1 1 174 174 LEU CB C 13 41.5 0.10 . 1 . . . . . . . . 4834 1 1255 . 1 1 174 174 LEU N N 15 116.0 0.10 . 1 . . . . . . . . 4834 1 1256 . 1 1 175 175 GLN H H 1 7.11 0.02 . 1 . . . . . . . . 4834 1 1257 . 1 1 175 175 GLN CA C 13 52.7 0.10 . 1 . . . . . . . . 4834 1 1258 . 1 1 175 175 GLN CB C 13 30.8 0.10 . 1 . . . . . . . . 4834 1 1259 . 1 1 175 175 GLN N N 15 121.1 0.10 . 1 . . . . . . . . 4834 1 1260 . 1 1 176 176 PRO HA H 1 4.44 0.02 . 1 . . . . . . . . 4834 1 1261 . 1 1 176 176 PRO HB2 H 1 1.77 0.02 . 2 . . . . . . . . 4834 1 1262 . 1 1 176 176 PRO C C 13 178.1 0.10 . 1 . . . . . . . . 4834 1 1263 . 1 1 176 176 PRO CA C 13 61.5 0.10 . 1 . . . . . . . . 4834 1 1264 . 1 1 176 176 PRO CB C 13 32.5 0.10 . 1 . . . . . . . . 4834 1 1265 . 1 1 177 177 HIS H H 1 10.13 0.02 . 1 . . . . . . . . 4834 1 1266 . 1 1 177 177 HIS CA C 13 53.3 0.10 . 1 . . . . . . . . 4834 1 1267 . 1 1 177 177 HIS CB C 13 28.6 0.10 . 1 . . . . . . . . 4834 1 1268 . 1 1 177 177 HIS N N 15 124.4 0.10 . 1 . . . . . . . . 4834 1 1269 . 1 1 178 178 THR HA H 1 3.98 0.02 . 1 . . . . . . . . 4834 1 1270 . 1 1 178 178 THR C C 13 173.9 0.10 . 1 . . . . . . . . 4834 1 1271 . 1 1 179 179 ASP H H 1 8.94 0.02 . 1 . . . . . . . . 4834 1 1272 . 1 1 179 179 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 4834 1 1273 . 1 1 179 179 ASP HB2 H 1 3.01 0.02 . 2 . . . . . . . . 4834 1 1274 . 1 1 179 179 ASP HB3 H 1 2.88 0.02 . 2 . . . . . . . . 4834 1 1275 . 1 1 179 179 ASP C C 13 175.2 0.10 . 1 . . . . . . . . 4834 1 1276 . 1 1 179 179 ASP CA C 13 55.6 0.10 . 1 . . . . . . . . 4834 1 1277 . 1 1 179 179 ASP CB C 13 39.8 0.10 . 1 . . . . . . . . 4834 1 1278 . 1 1 179 179 ASP N N 15 120.2 0.10 . 1 . . . . . . . . 4834 1 1279 . 1 1 180 180 ALA H H 1 7.73 0.02 . 1 . . . . . . . . 4834 1 1280 . 1 1 180 180 ALA HA H 1 4.77 0.02 . 1 . . . . . . . . 4834 1 1281 . 1 1 180 180 ALA HB1 H 1 1.64 0.02 . 1 . . . . . . . . 4834 1 1282 . 1 1 180 180 ALA HB2 H 1 1.64 0.02 . 1 . . . . . . . . 4834 1 1283 . 1 1 180 180 ALA HB3 H 1 1.64 0.02 . 1 . . . . . . . . 4834 1 1284 . 1 1 180 180 ALA C C 13 177.1 0.10 . 1 . . . . . . . . 4834 1 1285 . 1 1 180 180 ALA CA C 13 51.4 0.10 . 1 . . . . . . . . 4834 1 1286 . 1 1 180 180 ALA CB C 13 21.6 0.10 . 1 . . . . . . . . 4834 1 1287 . 1 1 180 180 ALA N N 15 122.2 0.10 . 1 . . . . . . . . 4834 1 1288 . 1 1 181 181 VAL H H 1 8.93 0.02 . 1 . . . . . . . . 4834 1 1289 . 1 1 181 181 VAL HA H 1 4.18 0.02 . 1 . . . . . . . . 4834 1 1290 . 1 1 181 181 VAL HB H 1 2.05 0.02 . 1 . . . . . . . . 4834 1 1291 . 1 1 181 181 VAL C C 13 174.0 0.10 . 1 . . . . . . . . 4834 1 1292 . 1 1 181 181 VAL CA C 13 61.5 0.10 . 1 . . . . . . . . 4834 1 1293 . 1 1 181 181 VAL CB C 13 33.6 0.10 . 1 . . . . . . . . 4834 1 1294 . 1 1 181 181 VAL N N 15 121.7 0.10 . 1 . . . . . . . . 4834 1 1295 . 1 1 182 182 GLU H H 1 8.29 0.02 . 1 . . . . . . . . 4834 1 1296 . 1 1 182 182 GLU HA H 1 3.30 0.02 . 1 . . . . . . . . 4834 1 1297 . 1 1 182 182 GLU HB2 H 1 1.87 0.02 . 1 . . . . . . . . 4834 1 1298 . 1 1 182 182 GLU HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4834 1 1299 . 1 1 182 182 GLU C C 13 175.9 0.02 . 1 . . . . . . . . 4834 1 1300 . 1 1 182 182 GLU CA C 13 55.3 0.02 . 1 . . . . . . . . 4834 1 1301 . 1 1 182 182 GLU CB C 13 30.5 0.02 . 1 . . . . . . . . 4834 1 1302 . 1 1 182 182 GLU N N 15 126.6 0.10 . 1 . . . . . . . . 4834 1 1303 . 1 1 183 183 VAL H H 1 8.01 0.02 . 1 . . . . . . . . 4834 1 1304 . 1 1 183 183 VAL C C 13 179.3 0.10 . 1 . . . . . . . . 4834 1 1305 . 1 1 183 183 VAL CA C 13 61.6 0.10 . 1 . . . . . . . . 4834 1 1306 . 1 1 183 183 VAL CB C 13 32.8 0.10 . 1 . . . . . . . . 4834 1 1307 . 1 1 183 183 VAL N N 15 126.7 0.10 . 1 . . . . . . . . 4834 1 stop_ save_