data_5219 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5219 _Entry.Title ; Base excision repair: NMR backbone assignments of Escherichia coli formamidopyrimidine-DNA glycosylase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-11-28 _Entry.Accession_date 2001-11-28 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Garry Buchko . W . 5219 2 Susan Wallace . S . 5219 3 Michael Kennedy . A . 5219 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5219 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 180 5219 '13C chemical shifts' 533 5219 '15N chemical shifts' 180 5219 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-08-22 2001-11-28 original author . 5219 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5219 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21986775 _Citation.DOI . _Citation.PubMed_ID 11991361 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Base excision repair: NMR backbone assignments of Escherichia coli formamidopyrimidine-DNA glycosylase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 301 _Citation.Page_last 302 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Garry Buchko . W . 5219 1 2 Susan Wallace . S . 5219 1 3 Michael Kennedy . A . 5219 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'chemical shift mapping' 5219 1 7,8-dihydro-8-oxoguanine 5219 1 'DNA repair' 5219 1 'Fpg (Mut M) protein' 5219 1 'oxidized DNA' 5219 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Fpg _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Fpg _Assembly.Entry_ID 5219 _Assembly.ID 1 _Assembly.Name 'Escherichia coli formamidopyrimidine-DNA glycosylase' _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 'other bound, and 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 5219 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 Fpg 1 $Fpg . . . native . . . . . 5219 1 2 'Zinc ion(II)' 2 $ZN . . . native . . . . . 5219 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 244 244 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5219 1 2 coordination single . 1 . 1 CYS 247 247 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5219 1 3 coordination single . 1 . 1 CYS 264 264 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5219 1 4 coordination single . 1 . 1 CYS 267 267 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5219 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Escherichia coli formamidopyrimidine-DNA glycosylase' system 5219 1 Fpg abbreviation 5219 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA glycosylase' 5219 1 'AP lyase' 5219 1 deoxyribophosphodiesterase 5219 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Fpg _Entity.Sf_category entity _Entity.Sf_framecode Fpg _Entity.Entry_ID 5219 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'E. coli formamidopyrimidine DNA glycosylase' _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 ; MPELPEVETSRRGIEPHLVG ATILHAVVRNGRLRWPVSEE IYRLSDQPVLSVQRRAKYLL LELPEGWIIIHLGMSGSLRI LPEELPPEKHDHVDLVMSNG KVLRYTDPRRFGAWLWTKEL EGHNVLTHLGPEPLSDDFNG EYLHQKCAKKKTAIKPWLMD NKLVVGVGNIYASESLFAAG IHPDRLASSLSLAECELLAR VIKAVLLRSIEQGGTTLKDF LQSDGKPGYFAQELQVYGRK GEPCRVCGTPIVATKHAQRA TFYCRQCQK ; _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 269 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'other bound, and 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 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT P05523 . 'Formamidopyrimidine-DNA glycosylase (Fapy-DNA glycosylase) (DNA-(apurinic or apyrimidinic site) lyase mutM) (AP lyase mutM)' . . . . . 100.00 269 100.00 100.00 3.89e-156 . . . . 5219 1 . . SWISS-PROT B1IZF8 . 'Formamidopyrimidine-DNA glycosylase (Fapy-DNA glycosylase) (DNA-(apurinic or apyrimidinic site) lyase mutM) (AP lyase mutM)' . . . . . 100.00 269 99.63 99.63 1.26e-155 . . . . 5219 1 . . SWISS-PROT A8A697 . 'Formamidopyrimidine-DNA glycosylase (Fapy-DNA glycosylase) (DNA-(apurinic or apyrimidinic site) lyase mutM) (AP lyase mutM)' . . . . . 100.00 269 100.00 100.00 3.89e-156 . . . . 5219 1 . . SWISS-PROT A7ZTI6 . 'Formamidopyrimidine-DNA glycosylase (Fapy-DNA glycosylase) (DNA-(apurinic or apyrimidinic site) lyase mutM) (AP lyase mutM)' . . . . . 100.00 269 99.63 99.63 1.26e-155 . . . . 5219 1 . . SWISS-PROT A1AHG8 . 'Formamidopyrimidine-DNA glycosylase (Fapy-DNA glycosylase) (DNA-(apurinic or apyrimidinic site) lyase mutM) (AP lyase mutM)' . . . . . 100.00 269 99.63 99.63 1.26e-155 . . . . 5219 1 . . REF NP_709414 . 'formamidopyrimidine-DNA glycosylase [Shigella flexneri 2a str. 301]' . . . . . 100.00 269 99.63 99.63 1.26e-155 . . . . 5219 1 . . REF NP_418092 . 'formamidopyrimidine/5-formyluracil/ 5-hydroxymethyluracil DNA glycosylase [Escherichia coli str. K-12 substr. MG1655]' . . . . . 100.00 269 100.00 100.00 3.89e-156 . . . . 5219 1 . . REF NP_312537 . 'formamidopyrimidine-DNA glycosylase [Escherichia coli O157:H7 str. Sakai]' . . . . . 100.00 269 99.63 99.63 1.26e-155 . . . . 5219 1 . . REF NP_290215 . 'formamidopyrimidine-DNA glycosylase [Escherichia coli O157:H7 EDL933]' . . . . . 100.00 269 99.63 99.63 1.26e-155 . . . . 5219 1 . . REF AP_004156 . 'formamidopyrimidine/5-formyluracil/ 5-hydroxymethyluracil DNA glycosylase [Escherichia coli W3110]' . . . . . 100.00 269 100.00 100.00 3.89e-156 . . . . 5219 1 . . GenBank AAN45121 . 'formamidopyrimidine DNA glycosylase [Shigella flexneri 2a str. 301]' . . . . . 100.00 269 99.63 99.63 1.26e-155 . . . . 5219 1 . . GenBank AAG58779 . 'formamidopyrimidine DNA glycosylase [Escherichia coli O157:H7 EDL933]' . . . . . 100.00 269 99.63 99.63 1.26e-155 . . . . 5219 1 . . GenBank AAC76659 . 'formamidopyrimidine/5-formyluracil/ 5-hydroxymethyluracil DNA glycosylase [Escherichia coli str. K-12 substr. MG1655]' . . . . . 100.00 269 100.00 100.00 3.89e-156 . . . . 5219 1 . . GenBank AAB18612 . 'formamidopyrimidine-DNA glycosylase [Escherichia coli]' . . . . . 100.00 269 100.00 100.00 3.89e-156 . . . . 5219 1 . . GenBank AAA61988 . 'formamidopyrimidine-DNA glycosylase' . . . . . 67.29 181 100.00 100.00 1.93e-101 . . . . 5219 1 . . EMBL CAA29431 . 'unnamed protein product [Escherichia coli]' . . . . . 100.00 269 100.00 100.00 3.89e-156 . . . . 5219 1 . . DBJ BAE77657 . 'formamidopyrimidine/5-formyluracil/ 5-hydroxymethyluracil DNA glycosylase [Escherichia coli W3110]' . . . . . 100.00 269 100.00 100.00 3.89e-156 . . . . 5219 1 . . DBJ BAB37933 . 'formamidopyrimidine DNA glycosylase [Escherichia coli O157:H7 str. Sakai]' . . . . . 100.00 269 99.63 99.63 1.26e-155 . . . . 5219 1 . . PDB 1K82 . 'Crystal Structure Of E.Coli Formamidopyrimidine-Dna Glycosylase (Fpg) Covalently Trapped With Dna' . . . . . 99.63 268 100.00 100.00 2.08e-155 . . . . 5219 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'E. coli formamidopyrimidine DNA glycosylase' common 5219 1 Fpg abbreviation 5219 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 . 5219 1 2 . PRO . 5219 1 3 . GLU . 5219 1 4 . LEU . 5219 1 5 . PRO . 5219 1 6 . GLU . 5219 1 7 . VAL . 5219 1 8 . GLU . 5219 1 9 . THR . 5219 1 10 . SER . 5219 1 11 . ARG . 5219 1 12 . ARG . 5219 1 13 . GLY . 5219 1 14 . ILE . 5219 1 15 . GLU . 5219 1 16 . PRO . 5219 1 17 . HIS . 5219 1 18 . LEU . 5219 1 19 . VAL . 5219 1 20 . GLY . 5219 1 21 . ALA . 5219 1 22 . THR . 5219 1 23 . ILE . 5219 1 24 . LEU . 5219 1 25 . HIS . 5219 1 26 . ALA . 5219 1 27 . VAL . 5219 1 28 . VAL . 5219 1 29 . ARG . 5219 1 30 . ASN . 5219 1 31 . GLY . 5219 1 32 . ARG . 5219 1 33 . LEU . 5219 1 34 . ARG . 5219 1 35 . TRP . 5219 1 36 . PRO . 5219 1 37 . VAL . 5219 1 38 . SER . 5219 1 39 . GLU . 5219 1 40 . GLU . 5219 1 41 . ILE . 5219 1 42 . TYR . 5219 1 43 . ARG . 5219 1 44 . LEU . 5219 1 45 . SER . 5219 1 46 . ASP . 5219 1 47 . GLN . 5219 1 48 . PRO . 5219 1 49 . VAL . 5219 1 50 . LEU . 5219 1 51 . SER . 5219 1 52 . VAL . 5219 1 53 . GLN . 5219 1 54 . ARG . 5219 1 55 . ARG . 5219 1 56 . ALA . 5219 1 57 . LYS . 5219 1 58 . TYR . 5219 1 59 . LEU . 5219 1 60 . LEU . 5219 1 61 . LEU . 5219 1 62 . GLU . 5219 1 63 . LEU . 5219 1 64 . PRO . 5219 1 65 . GLU . 5219 1 66 . GLY . 5219 1 67 . TRP . 5219 1 68 . ILE . 5219 1 69 . ILE . 5219 1 70 . ILE . 5219 1 71 . HIS . 5219 1 72 . LEU . 5219 1 73 . GLY . 5219 1 74 . MET . 5219 1 75 . SER . 5219 1 76 . GLY . 5219 1 77 . SER . 5219 1 78 . LEU . 5219 1 79 . ARG . 5219 1 80 . ILE . 5219 1 81 . LEU . 5219 1 82 . PRO . 5219 1 83 . GLU . 5219 1 84 . GLU . 5219 1 85 . LEU . 5219 1 86 . PRO . 5219 1 87 . PRO . 5219 1 88 . GLU . 5219 1 89 . LYS . 5219 1 90 . HIS . 5219 1 91 . ASP . 5219 1 92 . HIS . 5219 1 93 . VAL . 5219 1 94 . ASP . 5219 1 95 . LEU . 5219 1 96 . VAL . 5219 1 97 . MET . 5219 1 98 . SER . 5219 1 99 . ASN . 5219 1 100 . GLY . 5219 1 101 . LYS . 5219 1 102 . VAL . 5219 1 103 . LEU . 5219 1 104 . ARG . 5219 1 105 . TYR . 5219 1 106 . THR . 5219 1 107 . ASP . 5219 1 108 . PRO . 5219 1 109 . ARG . 5219 1 110 . ARG . 5219 1 111 . PHE . 5219 1 112 . GLY . 5219 1 113 . ALA . 5219 1 114 . TRP . 5219 1 115 . LEU . 5219 1 116 . TRP . 5219 1 117 . THR . 5219 1 118 . LYS . 5219 1 119 . GLU . 5219 1 120 . LEU . 5219 1 121 . GLU . 5219 1 122 . GLY . 5219 1 123 . HIS . 5219 1 124 . ASN . 5219 1 125 . VAL . 5219 1 126 . LEU . 5219 1 127 . THR . 5219 1 128 . HIS . 5219 1 129 . LEU . 5219 1 130 . GLY . 5219 1 131 . PRO . 5219 1 132 . GLU . 5219 1 133 . PRO . 5219 1 134 . LEU . 5219 1 135 . SER . 5219 1 136 . ASP . 5219 1 137 . ASP . 5219 1 138 . PHE . 5219 1 139 . ASN . 5219 1 140 . GLY . 5219 1 141 . GLU . 5219 1 142 . TYR . 5219 1 143 . LEU . 5219 1 144 . HIS . 5219 1 145 . GLN . 5219 1 146 . LYS . 5219 1 147 . CYS . 5219 1 148 . ALA . 5219 1 149 . LYS . 5219 1 150 . LYS . 5219 1 151 . LYS . 5219 1 152 . THR . 5219 1 153 . ALA . 5219 1 154 . ILE . 5219 1 155 . LYS . 5219 1 156 . PRO . 5219 1 157 . TRP . 5219 1 158 . LEU . 5219 1 159 . MET . 5219 1 160 . ASP . 5219 1 161 . ASN . 5219 1 162 . LYS . 5219 1 163 . LEU . 5219 1 164 . VAL . 5219 1 165 . VAL . 5219 1 166 . GLY . 5219 1 167 . VAL . 5219 1 168 . GLY . 5219 1 169 . ASN . 5219 1 170 . ILE . 5219 1 171 . TYR . 5219 1 172 . ALA . 5219 1 173 . SER . 5219 1 174 . GLU . 5219 1 175 . SER . 5219 1 176 . LEU . 5219 1 177 . PHE . 5219 1 178 . ALA . 5219 1 179 . ALA . 5219 1 180 . GLY . 5219 1 181 . ILE . 5219 1 182 . HIS . 5219 1 183 . PRO . 5219 1 184 . ASP . 5219 1 185 . ARG . 5219 1 186 . LEU . 5219 1 187 . ALA . 5219 1 188 . SER . 5219 1 189 . SER . 5219 1 190 . LEU . 5219 1 191 . SER . 5219 1 192 . LEU . 5219 1 193 . ALA . 5219 1 194 . GLU . 5219 1 195 . CYS . 5219 1 196 . GLU . 5219 1 197 . LEU . 5219 1 198 . LEU . 5219 1 199 . ALA . 5219 1 200 . ARG . 5219 1 201 . VAL . 5219 1 202 . ILE . 5219 1 203 . LYS . 5219 1 204 . ALA . 5219 1 205 . VAL . 5219 1 206 . LEU . 5219 1 207 . LEU . 5219 1 208 . ARG . 5219 1 209 . SER . 5219 1 210 . ILE . 5219 1 211 . GLU . 5219 1 212 . GLN . 5219 1 213 . GLY . 5219 1 214 . GLY . 5219 1 215 . THR . 5219 1 216 . THR . 5219 1 217 . LEU . 5219 1 218 . LYS . 5219 1 219 . ASP . 5219 1 220 . PHE . 5219 1 221 . LEU . 5219 1 222 . GLN . 5219 1 223 . SER . 5219 1 224 . ASP . 5219 1 225 . GLY . 5219 1 226 . LYS . 5219 1 227 . PRO . 5219 1 228 . GLY . 5219 1 229 . TYR . 5219 1 230 . PHE . 5219 1 231 . ALA . 5219 1 232 . GLN . 5219 1 233 . GLU . 5219 1 234 . LEU . 5219 1 235 . GLN . 5219 1 236 . VAL . 5219 1 237 . TYR . 5219 1 238 . GLY . 5219 1 239 . ARG . 5219 1 240 . LYS . 5219 1 241 . GLY . 5219 1 242 . GLU . 5219 1 243 . PRO . 5219 1 244 . CYS . 5219 1 245 . ARG . 5219 1 246 . VAL . 5219 1 247 . CYS . 5219 1 248 . GLY . 5219 1 249 . THR . 5219 1 250 . PRO . 5219 1 251 . ILE . 5219 1 252 . VAL . 5219 1 253 . ALA . 5219 1 254 . THR . 5219 1 255 . LYS . 5219 1 256 . HIS . 5219 1 257 . ALA . 5219 1 258 . GLN . 5219 1 259 . ARG . 5219 1 260 . ALA . 5219 1 261 . THR . 5219 1 262 . PHE . 5219 1 263 . TYR . 5219 1 264 . CYS . 5219 1 265 . ARG . 5219 1 266 . GLN . 5219 1 267 . CYS . 5219 1 268 . GLN . 5219 1 269 . LYS . 5219 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 5219 1 . PRO 2 2 5219 1 . GLU 3 3 5219 1 . LEU 4 4 5219 1 . PRO 5 5 5219 1 . GLU 6 6 5219 1 . VAL 7 7 5219 1 . GLU 8 8 5219 1 . THR 9 9 5219 1 . SER 10 10 5219 1 . ARG 11 11 5219 1 . ARG 12 12 5219 1 . GLY 13 13 5219 1 . ILE 14 14 5219 1 . GLU 15 15 5219 1 . PRO 16 16 5219 1 . HIS 17 17 5219 1 . LEU 18 18 5219 1 . VAL 19 19 5219 1 . GLY 20 20 5219 1 . ALA 21 21 5219 1 . THR 22 22 5219 1 . ILE 23 23 5219 1 . LEU 24 24 5219 1 . HIS 25 25 5219 1 . ALA 26 26 5219 1 . VAL 27 27 5219 1 . VAL 28 28 5219 1 . ARG 29 29 5219 1 . ASN 30 30 5219 1 . GLY 31 31 5219 1 . ARG 32 32 5219 1 . LEU 33 33 5219 1 . ARG 34 34 5219 1 . TRP 35 35 5219 1 . PRO 36 36 5219 1 . VAL 37 37 5219 1 . SER 38 38 5219 1 . GLU 39 39 5219 1 . GLU 40 40 5219 1 . ILE 41 41 5219 1 . TYR 42 42 5219 1 . ARG 43 43 5219 1 . LEU 44 44 5219 1 . SER 45 45 5219 1 . ASP 46 46 5219 1 . GLN 47 47 5219 1 . PRO 48 48 5219 1 . VAL 49 49 5219 1 . LEU 50 50 5219 1 . SER 51 51 5219 1 . VAL 52 52 5219 1 . GLN 53 53 5219 1 . ARG 54 54 5219 1 . ARG 55 55 5219 1 . ALA 56 56 5219 1 . LYS 57 57 5219 1 . TYR 58 58 5219 1 . LEU 59 59 5219 1 . LEU 60 60 5219 1 . LEU 61 61 5219 1 . GLU 62 62 5219 1 . LEU 63 63 5219 1 . PRO 64 64 5219 1 . GLU 65 65 5219 1 . GLY 66 66 5219 1 . TRP 67 67 5219 1 . ILE 68 68 5219 1 . ILE 69 69 5219 1 . ILE 70 70 5219 1 . HIS 71 71 5219 1 . LEU 72 72 5219 1 . GLY 73 73 5219 1 . MET 74 74 5219 1 . SER 75 75 5219 1 . GLY 76 76 5219 1 . SER 77 77 5219 1 . LEU 78 78 5219 1 . ARG 79 79 5219 1 . ILE 80 80 5219 1 . LEU 81 81 5219 1 . PRO 82 82 5219 1 . GLU 83 83 5219 1 . GLU 84 84 5219 1 . LEU 85 85 5219 1 . PRO 86 86 5219 1 . PRO 87 87 5219 1 . GLU 88 88 5219 1 . LYS 89 89 5219 1 . HIS 90 90 5219 1 . ASP 91 91 5219 1 . HIS 92 92 5219 1 . VAL 93 93 5219 1 . ASP 94 94 5219 1 . LEU 95 95 5219 1 . VAL 96 96 5219 1 . MET 97 97 5219 1 . SER 98 98 5219 1 . ASN 99 99 5219 1 . GLY 100 100 5219 1 . LYS 101 101 5219 1 . VAL 102 102 5219 1 . LEU 103 103 5219 1 . ARG 104 104 5219 1 . TYR 105 105 5219 1 . THR 106 106 5219 1 . ASP 107 107 5219 1 . PRO 108 108 5219 1 . ARG 109 109 5219 1 . ARG 110 110 5219 1 . PHE 111 111 5219 1 . GLY 112 112 5219 1 . ALA 113 113 5219 1 . TRP 114 114 5219 1 . LEU 115 115 5219 1 . TRP 116 116 5219 1 . THR 117 117 5219 1 . LYS 118 118 5219 1 . GLU 119 119 5219 1 . LEU 120 120 5219 1 . GLU 121 121 5219 1 . GLY 122 122 5219 1 . HIS 123 123 5219 1 . ASN 124 124 5219 1 . VAL 125 125 5219 1 . LEU 126 126 5219 1 . THR 127 127 5219 1 . HIS 128 128 5219 1 . LEU 129 129 5219 1 . GLY 130 130 5219 1 . PRO 131 131 5219 1 . GLU 132 132 5219 1 . PRO 133 133 5219 1 . LEU 134 134 5219 1 . SER 135 135 5219 1 . ASP 136 136 5219 1 . ASP 137 137 5219 1 . PHE 138 138 5219 1 . ASN 139 139 5219 1 . GLY 140 140 5219 1 . GLU 141 141 5219 1 . TYR 142 142 5219 1 . LEU 143 143 5219 1 . HIS 144 144 5219 1 . GLN 145 145 5219 1 . LYS 146 146 5219 1 . CYS 147 147 5219 1 . ALA 148 148 5219 1 . LYS 149 149 5219 1 . LYS 150 150 5219 1 . LYS 151 151 5219 1 . THR 152 152 5219 1 . ALA 153 153 5219 1 . ILE 154 154 5219 1 . LYS 155 155 5219 1 . PRO 156 156 5219 1 . TRP 157 157 5219 1 . LEU 158 158 5219 1 . MET 159 159 5219 1 . ASP 160 160 5219 1 . ASN 161 161 5219 1 . LYS 162 162 5219 1 . LEU 163 163 5219 1 . VAL 164 164 5219 1 . VAL 165 165 5219 1 . GLY 166 166 5219 1 . VAL 167 167 5219 1 . GLY 168 168 5219 1 . ASN 169 169 5219 1 . ILE 170 170 5219 1 . TYR 171 171 5219 1 . ALA 172 172 5219 1 . SER 173 173 5219 1 . GLU 174 174 5219 1 . SER 175 175 5219 1 . LEU 176 176 5219 1 . PHE 177 177 5219 1 . ALA 178 178 5219 1 . ALA 179 179 5219 1 . GLY 180 180 5219 1 . ILE 181 181 5219 1 . HIS 182 182 5219 1 . PRO 183 183 5219 1 . ASP 184 184 5219 1 . ARG 185 185 5219 1 . LEU 186 186 5219 1 . ALA 187 187 5219 1 . SER 188 188 5219 1 . SER 189 189 5219 1 . LEU 190 190 5219 1 . SER 191 191 5219 1 . LEU 192 192 5219 1 . ALA 193 193 5219 1 . GLU 194 194 5219 1 . CYS 195 195 5219 1 . GLU 196 196 5219 1 . LEU 197 197 5219 1 . LEU 198 198 5219 1 . ALA 199 199 5219 1 . ARG 200 200 5219 1 . VAL 201 201 5219 1 . ILE 202 202 5219 1 . LYS 203 203 5219 1 . ALA 204 204 5219 1 . VAL 205 205 5219 1 . LEU 206 206 5219 1 . LEU 207 207 5219 1 . ARG 208 208 5219 1 . SER 209 209 5219 1 . ILE 210 210 5219 1 . GLU 211 211 5219 1 . GLN 212 212 5219 1 . GLY 213 213 5219 1 . GLY 214 214 5219 1 . THR 215 215 5219 1 . THR 216 216 5219 1 . LEU 217 217 5219 1 . LYS 218 218 5219 1 . ASP 219 219 5219 1 . PHE 220 220 5219 1 . LEU 221 221 5219 1 . GLN 222 222 5219 1 . SER 223 223 5219 1 . ASP 224 224 5219 1 . GLY 225 225 5219 1 . LYS 226 226 5219 1 . PRO 227 227 5219 1 . GLY 228 228 5219 1 . TYR 229 229 5219 1 . PHE 230 230 5219 1 . ALA 231 231 5219 1 . GLN 232 232 5219 1 . GLU 233 233 5219 1 . LEU 234 234 5219 1 . GLN 235 235 5219 1 . VAL 236 236 5219 1 . TYR 237 237 5219 1 . GLY 238 238 5219 1 . ARG 239 239 5219 1 . LYS 240 240 5219 1 . GLY 241 241 5219 1 . GLU 242 242 5219 1 . PRO 243 243 5219 1 . CYS 244 244 5219 1 . ARG 245 245 5219 1 . VAL 246 246 5219 1 . CYS 247 247 5219 1 . GLY 248 248 5219 1 . THR 249 249 5219 1 . PRO 250 250 5219 1 . ILE 251 251 5219 1 . VAL 252 252 5219 1 . ALA 253 253 5219 1 . THR 254 254 5219 1 . LYS 255 255 5219 1 . HIS 256 256 5219 1 . ALA 257 257 5219 1 . GLN 258 258 5219 1 . ARG 259 259 5219 1 . ALA 260 260 5219 1 . THR 261 261 5219 1 . PHE 262 262 5219 1 . TYR 263 263 5219 1 . CYS 264 264 5219 1 . ARG 265 265 5219 1 . GLN 266 266 5219 1 . CYS 267 267 5219 1 . GLN 268 268 5219 1 . LYS 269 269 5219 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 5219 _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 . 5219 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 5219 _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 $Fpg . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5219 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 5219 _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 $Fpg . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET-11d . . . . . . 5219 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 5219 _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 Mon Jun 13 16:30:26 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 5219 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 5219 ZN [Zn++] SMILES CACTVS 3.341 5219 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5219 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 5219 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 5219 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 5219 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 5219 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5219 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 . 5219 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5219 _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 'E. coli formamidopyrimidine DNA glycosylase' '[U-2H; U-13C; U-15N]' . . 1 $Fpg . . 0.8 . . mM . . . . 5219 1 2 'phosphate buffer' . . . . . . . 300 . . mM . . . . 5219 1 3 DTT . . . . . . . 3 . . mM . . . . 5219 1 4 NaN3 . . . . . . . 50 . . uM . . . . 5219 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5219 _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 7.1 0.1 n/a 5219 1 temperature 298 1 K 5219 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5219 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5219 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5219 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Nova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5219 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Nova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 5219 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Nova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5219 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian UnityPlus . 600 . . . 5219 1 2 NMR_spectrometer_2 Varian Nova . 750 . . . 5219 1 3 NMR_spectrometer_3 Varian Nova . 800 . . . 5219 1 4 NMR_spectrometer_4 Varian Nova . 900 . . . 5219 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 5219 _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 HNCA . . . . . . . . . . . 1 $Sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5219 1 2 HNCOCA . . . . . . . . . . . 1 $Sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5219 1 3 CBCA(CO)NH . . . . . . . . . . . 1 $Sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5219 1 4 HNCACB . . . . . . . . . . . 1 $Sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5219 1 5 HNCO . . . . . . . . . . . 1 $Sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5219 1 6 HNCACO . . . . . . . . . . . 1 $Sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5219 1 7 '1H-15N NOESY' . . . . . . . . . . . 1 $Sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5219 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 5219 _NMR_spec_expt.ID 1 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5219 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCOCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5219 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5219 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5219 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5219 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5219 _NMR_spec_expt.ID 7 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5219 _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 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5219 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5219 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5219 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_cs_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs_set_1 _Assigned_chem_shift_list.Entry_ID 5219 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; The carbon chemical shifts are for a perdeuterated sample. Hence, the 13Ca, 13Cb, and 15N chemical shifts reported here are shifted upfield approximately 0.4, 0.8, and 0.23 ppm, respectively, relative to the chemical shifts expected for a fully protonated sample. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $Sample_1 . 5219 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 8 8 GLU C C 13 178.2 0.1 . 1 . . . . . . . . 5219 1 2 . 1 1 8 8 GLU CA C 13 58.4 0.1 . 1 . . . . . . . . 5219 1 3 . 1 1 9 9 THR H H 1 7.45 0.02 . 1 . . . . . . . . 5219 1 4 . 1 1 9 9 THR C C 13 173.7 0.1 . 1 . . . . . . . . 5219 1 5 . 1 1 9 9 THR CA C 13 60.7 0.1 . 1 . . . . . . . . 5219 1 6 . 1 1 9 9 THR CB C 13 69.6 0.1 . 1 . . . . . . . . 5219 1 7 . 1 1 9 9 THR N N 15 113.6 0.1 . 1 . . . . . . . . 5219 1 8 . 1 1 10 10 SER H H 1 7.87 0.02 . 1 . . . . . . . . 5219 1 9 . 1 1 10 10 SER CA C 13 57.4 0.1 . 1 . . . . . . . . 5219 1 10 . 1 1 10 10 SER CB C 13 70 0.1 . 1 . . . . . . . . 5219 1 11 . 1 1 10 10 SER N N 15 121.1 0.1 . 1 . . . . . . . . 5219 1 12 . 1 1 16 16 PRO C C 13 177.6 0.1 . 1 . . . . . . . . 5219 1 13 . 1 1 16 16 PRO CA C 13 64.4 0.1 . 1 . . . . . . . . 5219 1 14 . 1 1 17 17 HIS H H 1 7.35 0.02 . 1 . . . . . . . . 5219 1 15 . 1 1 17 17 HIS C C 13 173.7 0.1 . 1 . . . . . . . . 5219 1 16 . 1 1 17 17 HIS CA C 13 56.2 0.1 . 1 . . . . . . . . 5219 1 17 . 1 1 17 17 HIS CB C 13 32.5 0.1 . 1 . . . . . . . . 5219 1 18 . 1 1 17 17 HIS N N 15 114.8 0.1 . 1 . . . . . . . . 5219 1 19 . 1 1 18 18 LEU H H 1 7.08 0.02 . 1 . . . . . . . . 5219 1 20 . 1 1 18 18 LEU C C 13 179.8 0.1 . 1 . . . . . . . . 5219 1 21 . 1 1 18 18 LEU CA C 13 54.8 0.1 . 1 . . . . . . . . 5219 1 22 . 1 1 18 18 LEU CB C 13 44.7 0.1 . 1 . . . . . . . . 5219 1 23 . 1 1 18 18 LEU N N 15 114.6 0.1 . 1 . . . . . . . . 5219 1 24 . 1 1 19 19 VAL H H 1 7.66 0.02 . 1 . . . . . . . . 5219 1 25 . 1 1 19 19 VAL C C 13 178.2 0.1 . 1 . . . . . . . . 5219 1 26 . 1 1 19 19 VAL CA C 13 65.2 0.1 . 1 . . . . . . . . 5219 1 27 . 1 1 19 19 VAL CB C 13 30.2 0.1 . 1 . . . . . . . . 5219 1 28 . 1 1 19 19 VAL N N 15 115.9 0.1 . 1 . . . . . . . . 5219 1 29 . 1 1 20 20 GLY H H 1 8.62 0.02 . 1 . . . . . . . . 5219 1 30 . 1 1 20 20 GLY C C 13 173.6 0.1 . 1 . . . . . . . . 5219 1 31 . 1 1 20 20 GLY CA C 13 44.7 0.1 . 1 . . . . . . . . 5219 1 32 . 1 1 20 20 GLY N N 15 116.1 0.1 . 1 . . . . . . . . 5219 1 33 . 1 1 21 21 ALA H H 1 8.21 0.02 . 1 . . . . . . . . 5219 1 34 . 1 1 21 21 ALA C C 13 174.9 0.1 . 1 . . . . . . . . 5219 1 35 . 1 1 21 21 ALA CA C 13 49.9 0.1 . 1 . . . . . . . . 5219 1 36 . 1 1 21 21 ALA CB C 13 19.9 0.1 . 1 . . . . . . . . 5219 1 37 . 1 1 21 21 ALA N N 15 124.4 0.1 . 1 . . . . . . . . 5219 1 38 . 1 1 22 22 THR H H 1 8.53 0.02 . 1 . . . . . . . . 5219 1 39 . 1 1 22 22 THR C C 13 174.2 0.1 . 1 . . . . . . . . 5219 1 40 . 1 1 22 22 THR CA C 13 61.2 0.1 . 1 . . . . . . . . 5219 1 41 . 1 1 22 22 THR CB C 13 70.5 0.1 . 1 . . . . . . . . 5219 1 42 . 1 1 22 22 THR N N 15 113.5 0.1 . 1 . . . . . . . . 5219 1 43 . 1 1 23 23 ILE H H 1 9.18 0.02 . 1 . . . . . . . . 5219 1 44 . 1 1 23 23 ILE C C 13 175.6 0.1 . 1 . . . . . . . . 5219 1 45 . 1 1 23 23 ILE CA C 13 60.9 0.1 . 1 . . . . . . . . 5219 1 46 . 1 1 23 23 ILE CB C 13 38.6 0.1 . 1 . . . . . . . . 5219 1 47 . 1 1 23 23 ILE N N 15 127.8 0.1 . 1 . . . . . . . . 5219 1 48 . 1 1 24 24 LEU H H 1 9.56 0.02 . 1 . . . . . . . . 5219 1 49 . 1 1 24 24 LEU C C 13 177.9 0.1 . 1 . . . . . . . . 5219 1 50 . 1 1 24 24 LEU CA C 13 57.4 0.1 . 1 . . . . . . . . 5219 1 51 . 1 1 24 24 LEU CB C 13 41 0.1 . 1 . . . . . . . . 5219 1 52 . 1 1 24 24 LEU N N 15 130.6 0.1 . 1 . . . . . . . . 5219 1 53 . 1 1 25 25 HIS H H 1 7.25 0.02 . 1 . . . . . . . . 5219 1 54 . 1 1 25 25 HIS C C 13 171.6 0.1 . 1 . . . . . . . . 5219 1 55 . 1 1 25 25 HIS CA C 13 54.6 0.1 . 1 . . . . . . . . 5219 1 56 . 1 1 25 25 HIS CB C 13 30.2 0.1 . 1 . . . . . . . . 5219 1 57 . 1 1 25 25 HIS N N 15 109.3 0.1 . 1 . . . . . . . . 5219 1 58 . 1 1 26 26 ALA H H 1 9.22 0.02 . 1 . . . . . . . . 5219 1 59 . 1 1 26 26 ALA C C 13 177 0.1 . 1 . . . . . . . . 5219 1 60 . 1 1 26 26 ALA CA C 13 49.7 0.1 . 1 . . . . . . . . 5219 1 61 . 1 1 26 26 ALA CB C 13 21.8 0.1 . 1 . . . . . . . . 5219 1 62 . 1 1 26 26 ALA N N 15 122.1 0.1 . 1 . . . . . . . . 5219 1 63 . 1 1 27 27 VAL H H 1 9.21 0.02 . 1 . . . . . . . . 5219 1 64 . 1 1 27 27 VAL C C 13 174.4 0.1 . 1 . . . . . . . . 5219 1 65 . 1 1 27 27 VAL CA C 13 61.4 0.1 . 1 . . . . . . . . 5219 1 66 . 1 1 27 27 VAL CB C 13 33 0.1 . 1 . . . . . . . . 5219 1 67 . 1 1 27 27 VAL N N 15 122.8 0.1 . 1 . . . . . . . . 5219 1 68 . 1 1 28 28 VAL H H 1 8.84 0.02 . 1 . . . . . . . . 5219 1 69 . 1 1 28 28 VAL C C 13 176.2 0.1 . 1 . . . . . . . . 5219 1 70 . 1 1 28 28 VAL CA C 13 60.5 0.1 . 1 . . . . . . . . 5219 1 71 . 1 1 28 28 VAL CB C 13 30.7 0.1 . 1 . . . . . . . . 5219 1 72 . 1 1 28 28 VAL N N 15 127.4 0.1 . 1 . . . . . . . . 5219 1 73 . 1 1 29 29 ARG H H 1 8.73 0.02 . 1 . . . . . . . . 5219 1 74 . 1 1 29 29 ARG C C 13 177.1 0.1 . 1 . . . . . . . . 5219 1 75 . 1 1 29 29 ARG CA C 13 57.4 0.1 . 1 . . . . . . . . 5219 1 76 . 1 1 29 29 ARG N N 15 127.3 0.1 . 1 . . . . . . . . 5219 1 77 . 1 1 30 30 ASN H H 1 7.28 0.02 . 1 . . . . . . . . 5219 1 78 . 1 1 30 30 ASN C C 13 173.1 0.1 . 1 . . . . . . . . 5219 1 79 . 1 1 30 30 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 5219 1 80 . 1 1 30 30 ASN CB C 13 40 0.1 . 1 . . . . . . . . 5219 1 81 . 1 1 30 30 ASN N N 15 115.9 0.1 . 1 . . . . . . . . 5219 1 82 . 1 1 31 31 GLY H H 1 8.42 0.02 . 1 . . . . . . . . 5219 1 83 . 1 1 31 31 GLY C C 13 175 0.1 . 1 . . . . . . . . 5219 1 84 . 1 1 31 31 GLY CA C 13 43.6 0.1 . 1 . . . . . . . . 5219 1 85 . 1 1 31 31 GLY N N 15 108.5 0.1 . 1 . . . . . . . . 5219 1 86 . 1 1 32 32 ARG H H 1 8.21 0.02 . 1 . . . . . . . . 5219 1 87 . 1 1 32 32 ARG C C 13 175.1 0.1 . 1 . . . . . . . . 5219 1 88 . 1 1 32 32 ARG CA C 13 54.4 0.1 . 1 . . . . . . . . 5219 1 89 . 1 1 32 32 ARG CB C 13 27.4 0.1 . 1 . . . . . . . . 5219 1 90 . 1 1 32 32 ARG N N 15 123.3 0.1 . 1 . . . . . . . . 5219 1 91 . 1 1 33 33 LEU H H 1 6.63 0.02 . 1 . . . . . . . . 5219 1 92 . 1 1 33 33 LEU C C 13 177.2 0.1 . 1 . . . . . . . . 5219 1 93 . 1 1 33 33 LEU CA C 13 53.2 0.1 . 1 . . . . . . . . 5219 1 94 . 1 1 33 33 LEU CB C 13 39.6 0.1 . 1 . . . . . . . . 5219 1 95 . 1 1 33 33 LEU N N 15 124 0.1 . 1 . . . . . . . . 5219 1 96 . 1 1 34 34 ARG H H 1 8.81 0.02 . 1 . . . . . . . . 5219 1 97 . 1 1 34 34 ARG C C 13 177.5 0.1 . 1 . . . . . . . . 5219 1 98 . 1 1 34 34 ARG CA C 13 59.8 0.1 . 1 . . . . . . . . 5219 1 99 . 1 1 34 34 ARG CB C 13 29.9 0.1 . 1 . . . . . . . . 5219 1 100 . 1 1 34 34 ARG N N 15 124.6 0.1 . 1 . . . . . . . . 5219 1 101 . 1 1 35 35 TRP H H 1 7.18 0.02 . 1 . . . . . . . . 5219 1 102 . 1 1 35 35 TRP CA C 13 55.1 0.1 . 1 . . . . . . . . 5219 1 103 . 1 1 35 35 TRP CB C 13 30.1 0.1 . 1 . . . . . . . . 5219 1 104 . 1 1 35 35 TRP N N 15 110.8 0.1 . 1 . . . . . . . . 5219 1 105 . 1 1 36 36 PRO C C 13 178.1 0.1 . 1 . . . . . . . . 5219 1 106 . 1 1 36 36 PRO CA C 13 62.8 0.1 . 1 . . . . . . . . 5219 1 107 . 1 1 37 37 VAL H H 1 8.96 0.02 . 1 . . . . . . . . 5219 1 108 . 1 1 37 37 VAL C C 13 178.1 0.1 . 1 . . . . . . . . 5219 1 109 . 1 1 37 37 VAL CA C 13 63.5 0.1 . 1 . . . . . . . . 5219 1 110 . 1 1 37 37 VAL CB C 13 31.1 0.1 . 1 . . . . . . . . 5219 1 111 . 1 1 37 37 VAL N N 15 126.6 0.1 . 1 . . . . . . . . 5219 1 112 . 1 1 38 38 SER H H 1 7.84 0.02 . 1 . . . . . . . . 5219 1 113 . 1 1 38 38 SER C C 13 175 0.1 . 1 . . . . . . . . 5219 1 114 . 1 1 38 38 SER CA C 13 60.5 0.1 . 1 . . . . . . . . 5219 1 115 . 1 1 38 38 SER CB C 13 63.9 0.1 . 1 . . . . . . . . 5219 1 116 . 1 1 38 38 SER N N 15 122.5 0.1 . 1 . . . . . . . . 5219 1 117 . 1 1 39 39 GLU H H 1 9.21 0.02 . 1 . . . . . . . . 5219 1 118 . 1 1 39 39 GLU C C 13 178.3 0.1 . 1 . . . . . . . . 5219 1 119 . 1 1 39 39 GLU CA C 13 59.3 0.1 . 1 . . . . . . . . 5219 1 120 . 1 1 39 39 GLU CB C 13 28.8 0.1 . 1 . . . . . . . . 5219 1 121 . 1 1 39 39 GLU N N 15 125.6 0.1 . 1 . . . . . . . . 5219 1 122 . 1 1 40 40 GLU H H 1 9.84 0.02 . 1 . . . . . . . . 5219 1 123 . 1 1 40 40 GLU CA C 13 60.2 0.1 . 1 . . . . . . . . 5219 1 124 . 1 1 40 40 GLU CB C 13 26.4 0.1 . 1 . . . . . . . . 5219 1 125 . 1 1 40 40 GLU N N 15 116.8 0.1 . 1 . . . . . . . . 5219 1 126 . 1 1 41 41 ILE H H 1 7.66 0.02 . 1 . . . . . . . . 5219 1 127 . 1 1 41 41 ILE C C 13 176.6 0.1 . 1 . . . . . . . . 5219 1 128 . 1 1 41 41 ILE CA C 13 62.3 0.1 . 1 . . . . . . . . 5219 1 129 . 1 1 41 41 ILE CB C 13 34.9 0.1 . 1 . . . . . . . . 5219 1 130 . 1 1 41 41 ILE N N 15 115.9 0.1 . 1 . . . . . . . . 5219 1 131 . 1 1 42 42 TYR H H 1 7.08 0.02 . 1 . . . . . . . . 5219 1 132 . 1 1 42 42 TYR C C 13 178.5 0.1 . 1 . . . . . . . . 5219 1 133 . 1 1 42 42 TYR CA C 13 60.9 0.1 . 1 . . . . . . . . 5219 1 134 . 1 1 42 42 TYR CB C 13 37.7 0.1 . 1 . . . . . . . . 5219 1 135 . 1 1 42 42 TYR N N 15 113.5 0.1 . 1 . . . . . . . . 5219 1 136 . 1 1 43 43 ARG H H 1 6.91 0.02 . 1 . . . . . . . . 5219 1 137 . 1 1 43 43 ARG C C 13 175.6 0.1 . 1 . . . . . . . . 5219 1 138 . 1 1 43 43 ARG CA C 13 54.6 0.1 . 1 . . . . . . . . 5219 1 139 . 1 1 43 43 ARG CB C 13 30.2 0.1 . 1 . . . . . . . . 5219 1 140 . 1 1 43 43 ARG N N 15 112.8 0.1 . 1 . . . . . . . . 5219 1 141 . 1 1 44 44 LEU H H 1 6.88 0.02 . 1 . . . . . . . . 5219 1 142 . 1 1 44 44 LEU C C 13 177.7 0.1 . 1 . . . . . . . . 5219 1 143 . 1 1 44 44 LEU CA C 13 55.8 0.1 . 1 . . . . . . . . 5219 1 144 . 1 1 44 44 LEU CB C 13 42.8 0.1 . 1 . . . . . . . . 5219 1 145 . 1 1 44 44 LEU N N 15 121.4 0.1 . 1 . . . . . . . . 5219 1 146 . 1 1 45 45 SER H H 1 8.31 0.02 . 1 . . . . . . . . 5219 1 147 . 1 1 45 45 SER C C 13 173.3 0.1 . 1 . . . . . . . . 5219 1 148 . 1 1 45 45 SER CA C 13 56.9 0.1 . 1 . . . . . . . . 5219 1 149 . 1 1 45 45 SER CB C 13 64.4 0.1 . 1 . . . . . . . . 5219 1 150 . 1 1 45 45 SER N N 15 115.4 0.1 . 1 . . . . . . . . 5219 1 151 . 1 1 46 46 ASP H H 1 8.41 0.02 . 1 . . . . . . . . 5219 1 152 . 1 1 46 46 ASP C C 13 175.2 0.1 . 1 . . . . . . . . 5219 1 153 . 1 1 46 46 ASP CA C 13 55.3 0.1 . 1 . . . . . . . . 5219 1 154 . 1 1 46 46 ASP CB C 13 39.6 0.1 . 1 . . . . . . . . 5219 1 155 . 1 1 46 46 ASP N N 15 127.3 0.1 . 1 . . . . . . . . 5219 1 156 . 1 1 47 47 GLN H H 1 7.7 0.02 . 1 . . . . . . . . 5219 1 157 . 1 1 47 47 GLN CA C 13 51.1 0.1 . 1 . . . . . . . . 5219 1 158 . 1 1 47 47 GLN CB C 13 31.6 0.1 . 1 . . . . . . . . 5219 1 159 . 1 1 47 47 GLN N N 15 115.7 0.1 . 1 . . . . . . . . 5219 1 160 . 1 1 48 48 PRO C C 13 174 0.1 . 1 . . . . . . . . 5219 1 161 . 1 1 48 48 PRO CA C 13 61.6 0.1 . 1 . . . . . . . . 5219 1 162 . 1 1 49 49 VAL H H 1 7.8 0.02 . 1 . . . . . . . . 5219 1 163 . 1 1 49 49 VAL C C 13 177.3 0.1 . 1 . . . . . . . . 5219 1 164 . 1 1 49 49 VAL CA C 13 61.4 0.1 . 1 . . . . . . . . 5219 1 165 . 1 1 49 49 VAL CB C 13 29.7 0.1 . 1 . . . . . . . . 5219 1 166 . 1 1 49 49 VAL N N 15 117.3 0.1 . 1 . . . . . . . . 5219 1 167 . 1 1 50 50 LEU H H 1 9.49 0.02 . 1 . . . . . . . . 5219 1 168 . 1 1 50 50 LEU C C 13 177.8 0.1 . 1 . . . . . . . . 5219 1 169 . 1 1 50 50 LEU CA C 13 55.8 0.1 . 1 . . . . . . . . 5219 1 170 . 1 1 50 50 LEU CB C 13 41 0.1 . 1 . . . . . . . . 5219 1 171 . 1 1 50 50 LEU N N 15 128.5 0.1 . 1 . . . . . . . . 5219 1 172 . 1 1 51 51 SER H H 1 7.53 0.02 . 1 . . . . . . . . 5219 1 173 . 1 1 51 51 SER C C 13 171.3 0.1 . 1 . . . . . . . . 5219 1 174 . 1 1 51 51 SER CA C 13 58.8 0.1 . 1 . . . . . . . . 5219 1 175 . 1 1 51 51 SER CB C 13 64.4 0.1 . 1 . . . . . . . . 5219 1 176 . 1 1 51 51 SER N N 15 110 0.1 . 1 . . . . . . . . 5219 1 177 . 1 1 52 52 VAL H H 1 8.86 0.02 . 1 . . . . . . . . 5219 1 178 . 1 1 52 52 VAL CA C 13 61.2 0.1 . 1 . . . . . . . . 5219 1 179 . 1 1 52 52 VAL N N 15 119.5 0.1 . 1 . . . . . . . . 5219 1 180 . 1 1 60 60 LEU C C 13 175.9 0.1 . 1 . . . . . . . . 5219 1 181 . 1 1 60 60 LEU CA C 13 53.2 0.1 . 1 . . . . . . . . 5219 1 182 . 1 1 61 61 LEU H H 1 9.59 0.02 . 1 . . . . . . . . 5219 1 183 . 1 1 61 61 LEU C C 13 174.4 0.1 . 1 . . . . . . . . 5219 1 184 . 1 1 61 61 LEU CA C 13 53.2 0.1 . 1 . . . . . . . . 5219 1 185 . 1 1 61 61 LEU CB C 13 42 0.1 . 1 . . . . . . . . 5219 1 186 . 1 1 61 61 LEU N N 15 123.3 0.1 . 1 . . . . . . . . 5219 1 187 . 1 1 62 62 GLU H H 1 8.05 0.02 . 1 . . . . . . . . 5219 1 188 . 1 1 62 62 GLU CA C 13 55.5 0.1 . 1 . . . . . . . . 5219 1 189 . 1 1 62 62 GLU CB C 13 30.3 0.1 . 1 . . . . . . . . 5219 1 190 . 1 1 62 62 GLU N N 15 125.3 0.1 . 1 . . . . . . . . 5219 1 191 . 1 1 64 64 PRO C C 13 178.4 0.1 . 1 . . . . . . . . 5219 1 192 . 1 1 64 64 PRO CA C 13 65.9 0.1 . 1 . . . . . . . . 5219 1 193 . 1 1 65 65 GLU H H 1 8.04 0.02 . 1 . . . . . . . . 5219 1 194 . 1 1 65 65 GLU C C 13 175.5 0.1 . 1 . . . . . . . . 5219 1 195 . 1 1 65 65 GLU CA C 13 55.1 0.1 . 1 . . . . . . . . 5219 1 196 . 1 1 65 65 GLU CB C 13 29.7 0.1 . 1 . . . . . . . . 5219 1 197 . 1 1 65 65 GLU N N 15 109.9 0.1 . 1 . . . . . . . . 5219 1 198 . 1 1 66 66 GLY H H 1 7.01 0.02 . 1 . . . . . . . . 5219 1 199 . 1 1 66 66 GLY C C 13 169.1 0.1 . 1 . . . . . . . . 5219 1 200 . 1 1 66 66 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . 5219 1 201 . 1 1 66 66 GLY N N 15 106.4 0.1 . 1 . . . . . . . . 5219 1 202 . 1 1 67 67 TRP H H 1 8 0.02 . 1 . . . . . . . . 5219 1 203 . 1 1 67 67 TRP C C 13 177.8 0.1 . 1 . . . . . . . . 5219 1 204 . 1 1 67 67 TRP CA C 13 54.8 0.1 . 1 . . . . . . . . 5219 1 205 . 1 1 67 67 TRP CB C 13 28.8 0.1 . 1 . . . . . . . . 5219 1 206 . 1 1 67 67 TRP N N 15 117.7 0.1 . 1 . . . . . . . . 5219 1 207 . 1 1 68 68 ILE H H 1 8.69 0.02 . 1 . . . . . . . . 5219 1 208 . 1 1 68 68 ILE CA C 13 59.8 0.1 . 1 . . . . . . . . 5219 1 209 . 1 1 68 68 ILE CB C 13 41.4 0.1 . 1 . . . . . . . . 5219 1 210 . 1 1 68 68 ILE N N 15 118.8 0.1 . 1 . . . . . . . . 5219 1 211 . 1 1 69 69 ILE H H 1 9.25 0.02 . 1 . . . . . . . . 5219 1 212 . 1 1 69 69 ILE CA C 13 59.5 0.1 . 1 . . . . . . . . 5219 1 213 . 1 1 69 69 ILE N N 15 127.6 0.1 . 1 . . . . . . . . 5219 1 214 . 1 1 75 75 SER C C 13 173.8 0.1 . 1 . . . . . . . . 5219 1 215 . 1 1 75 75 SER CA C 13 57.2 0.1 . 1 . . . . . . . . 5219 1 216 . 1 1 76 76 GLY H H 1 7.84 0.02 . 1 . . . . . . . . 5219 1 217 . 1 1 76 76 GLY C C 13 172.8 0.1 . 1 . . . . . . . . 5219 1 218 . 1 1 76 76 GLY CA C 13 44.7 0.1 . 1 . . . . . . . . 5219 1 219 . 1 1 76 76 GLY N N 15 111.7 0.1 . 1 . . . . . . . . 5219 1 220 . 1 1 77 77 SER H H 1 9.04 0.02 . 1 . . . . . . . . 5219 1 221 . 1 1 77 77 SER CA C 13 57.2 0.1 . 1 . . . . . . . . 5219 1 222 . 1 1 77 77 SER N N 15 114 0.1 . 1 . . . . . . . . 5219 1 223 . 1 1 78 78 LEU CA C 13 52.7 0.1 . 1 . . . . . . . . 5219 1 224 . 1 1 78 78 LEU CB C 13 45.7 0.1 . 1 . . . . . . . . 5219 1 225 . 1 1 79 79 ARG H H 1 8.57 0.02 . 1 . . . . . . . . 5219 1 226 . 1 1 79 79 ARG C C 13 174.4 0.1 . 1 . . . . . . . . 5219 1 227 . 1 1 79 79 ARG CA C 13 54.1 0.1 . 1 . . . . . . . . 5219 1 228 . 1 1 79 79 ARG CB C 13 34.9 0.1 . 1 . . . . . . . . 5219 1 229 . 1 1 79 79 ARG N N 15 119.1 0.1 . 1 . . . . . . . . 5219 1 230 . 1 1 80 80 ILE H H 1 8.46 0.02 . 1 . . . . . . . . 5219 1 231 . 1 1 80 80 ILE CA C 13 56.7 0.1 . 1 . . . . . . . . 5219 1 232 . 1 1 80 80 ILE CB C 13 41 0.1 . 1 . . . . . . . . 5219 1 233 . 1 1 80 80 ILE N N 15 121.7 0.1 . 1 . . . . . . . . 5219 1 234 . 1 1 90 90 HIS C C 13 173.9 0.1 . 1 . . . . . . . . 5219 1 235 . 1 1 90 90 HIS CA C 13 53.2 0.1 . 1 . . . . . . . . 5219 1 236 . 1 1 91 91 ASP H H 1 6.99 0.02 . 1 . . . . . . . . 5219 1 237 . 1 1 91 91 ASP C C 13 176.4 0.1 . 1 . . . . . . . . 5219 1 238 . 1 1 91 91 ASP CA C 13 52.3 0.1 . 1 . . . . . . . . 5219 1 239 . 1 1 91 91 ASP CB C 13 39.1 0.1 . 1 . . . . . . . . 5219 1 240 . 1 1 91 91 ASP N N 15 121 0.1 . 1 . . . . . . . . 5219 1 241 . 1 1 92 92 HIS H H 1 7.12 0.02 . 1 . . . . . . . . 5219 1 242 . 1 1 92 92 HIS C C 13 176.2 0.1 . 1 . . . . . . . . 5219 1 243 . 1 1 92 92 HIS CA C 13 58.6 0.1 . 1 . . . . . . . . 5219 1 244 . 1 1 92 92 HIS N N 15 122.4 0.1 . 1 . . . . . . . . 5219 1 245 . 1 1 93 93 VAL H H 1 7.43 0.02 . 1 . . . . . . . . 5219 1 246 . 1 1 93 93 VAL C C 13 173.4 0.1 . 1 . . . . . . . . 5219 1 247 . 1 1 93 93 VAL CA C 13 61.2 0.1 . 1 . . . . . . . . 5219 1 248 . 1 1 93 93 VAL CB C 13 37.2 0.1 . 1 . . . . . . . . 5219 1 249 . 1 1 93 93 VAL N N 15 115 0.1 . 1 . . . . . . . . 5219 1 250 . 1 1 94 94 ASP H H 1 8.7 0.02 . 1 . . . . . . . . 5219 1 251 . 1 1 94 94 ASP C C 13 176.5 0.1 . 1 . . . . . . . . 5219 1 252 . 1 1 94 94 ASP CA C 13 51.8 0.1 . 1 . . . . . . . . 5219 1 253 . 1 1 94 94 ASP CB C 13 44.2 0.1 . 1 . . . . . . . . 5219 1 254 . 1 1 94 94 ASP N N 15 123.4 0.1 . 1 . . . . . . . . 5219 1 255 . 1 1 95 95 LEU H H 1 9.31 0.02 . 1 . . . . . . . . 5219 1 256 . 1 1 95 95 LEU C C 13 174.9 0.1 . 1 . . . . . . . . 5219 1 257 . 1 1 95 95 LEU CA C 13 53.9 0.1 . 1 . . . . . . . . 5219 1 258 . 1 1 95 95 LEU CB C 13 42.8 0.1 . 1 . . . . . . . . 5219 1 259 . 1 1 95 95 LEU N N 15 118.2 0.1 . 1 . . . . . . . . 5219 1 260 . 1 1 96 96 VAL H H 1 8.26 0.02 . 1 . . . . . . . . 5219 1 261 . 1 1 96 96 VAL C C 13 174.8 0.1 . 1 . . . . . . . . 5219 1 262 . 1 1 96 96 VAL CA C 13 63 0.1 . 1 . . . . . . . . 5219 1 263 . 1 1 96 96 VAL CB C 13 30.7 0.1 . 1 . . . . . . . . 5219 1 264 . 1 1 96 96 VAL N N 15 125 0.1 . 1 . . . . . . . . 5219 1 265 . 1 1 97 97 MET H H 1 8.39 0.02 . 1 . . . . . . . . 5219 1 266 . 1 1 97 97 MET CA C 13 52.3 0.1 . 1 . . . . . . . . 5219 1 267 . 1 1 97 97 MET CB C 13 36.3 0.1 . 1 . . . . . . . . 5219 1 268 . 1 1 97 97 MET N N 15 122.7 0.1 . 1 . . . . . . . . 5219 1 269 . 1 1 98 98 SER H H 1 9.51 0.02 . 1 . . . . . . . . 5219 1 270 . 1 1 98 98 SER C C 13 174.3 0.1 . 1 . . . . . . . . 5219 1 271 . 1 1 98 98 SER CA C 13 60.2 0.1 . 1 . . . . . . . . 5219 1 272 . 1 1 98 98 SER N N 15 115.9 0.1 . 1 . . . . . . . . 5219 1 273 . 1 1 99 99 ASN H H 1 7.25 0.02 . 1 . . . . . . . . 5219 1 274 . 1 1 99 99 ASN C C 13 176 0.1 . 1 . . . . . . . . 5219 1 275 . 1 1 99 99 ASN CA C 13 51.5 0.1 . 1 . . . . . . . . 5219 1 276 . 1 1 99 99 ASN CB C 13 37.2 0.1 . 1 . . . . . . . . 5219 1 277 . 1 1 99 99 ASN N N 15 117.5 0.1 . 1 . . . . . . . . 5219 1 278 . 1 1 100 100 GLY H H 1 7.87 0.02 . 1 . . . . . . . . 5219 1 279 . 1 1 100 100 GLY C C 13 173.3 0.1 . 1 . . . . . . . . 5219 1 280 . 1 1 100 100 GLY CA C 13 45 0.1 . 1 . . . . . . . . 5219 1 281 . 1 1 100 100 GLY N N 15 107.4 0.1 . 1 . . . . . . . . 5219 1 282 . 1 1 101 101 LYS H H 1 7.3 0.02 . 1 . . . . . . . . 5219 1 283 . 1 1 101 101 LYS CA C 13 54.1 0.1 . 1 . . . . . . . . 5219 1 284 . 1 1 101 101 LYS CB C 13 33 0.1 . 1 . . . . . . . . 5219 1 285 . 1 1 101 101 LYS N N 15 116.9 0.1 . 1 . . . . . . . . 5219 1 286 . 1 1 102 102 VAL C C 13 175.3 0.1 . 1 . . . . . . . . 5219 1 287 . 1 1 102 102 VAL CA C 13 59.3 0.1 . 1 . . . . . . . . 5219 1 288 . 1 1 103 103 LEU H H 1 8.94 0.02 . 1 . . . . . . . . 5219 1 289 . 1 1 103 103 LEU C C 13 173.7 0.1 . 1 . . . . . . . . 5219 1 290 . 1 1 103 103 LEU CA C 13 53.2 0.1 . 1 . . . . . . . . 5219 1 291 . 1 1 103 103 LEU CB C 13 42.4 0.1 . 1 . . . . . . . . 5219 1 292 . 1 1 103 103 LEU N N 15 126.8 0.1 . 1 . . . . . . . . 5219 1 293 . 1 1 104 104 ARG H H 1 9.35 0.02 . 1 . . . . . . . . 5219 1 294 . 1 1 104 104 ARG C C 13 174.9 0.1 . 1 . . . . . . . . 5219 1 295 . 1 1 104 104 ARG CA C 13 54.8 0.1 . 1 . . . . . . . . 5219 1 296 . 1 1 104 104 ARG CB C 13 33 0.1 . 1 . . . . . . . . 5219 1 297 . 1 1 104 104 ARG N N 15 129.2 0.1 . 1 . . . . . . . . 5219 1 298 . 1 1 105 105 TYR H H 1 9.43 0.02 . 1 . . . . . . . . 5219 1 299 . 1 1 105 105 TYR C C 13 173.1 0.1 . 1 . . . . . . . . 5219 1 300 . 1 1 105 105 TYR CA C 13 55.3 0.1 . 1 . . . . . . . . 5219 1 301 . 1 1 105 105 TYR CB C 13 41.4 0.1 . 1 . . . . . . . . 5219 1 302 . 1 1 105 105 TYR N N 15 130.9 0.1 . 1 . . . . . . . . 5219 1 303 . 1 1 106 106 THR H H 1 8.33 0.02 . 1 . . . . . . . . 5219 1 304 . 1 1 106 106 THR C C 13 174 0.1 . 1 . . . . . . . . 5219 1 305 . 1 1 106 106 THR CA C 13 60.5 0.1 . 1 . . . . . . . . 5219 1 306 . 1 1 106 106 THR CB C 13 70.5 0.1 . 1 . . . . . . . . 5219 1 307 . 1 1 106 106 THR N N 15 126.4 0.1 . 1 . . . . . . . . 5219 1 308 . 1 1 107 107 ASP H H 1 7.98 0.02 . 1 . . . . . . . . 5219 1 309 . 1 1 107 107 ASP CA C 13 51.3 0.1 . 1 . . . . . . . . 5219 1 310 . 1 1 107 107 ASP CB C 13 42.4 0.1 . 1 . . . . . . . . 5219 1 311 . 1 1 107 107 ASP N N 15 117 0.1 . 1 . . . . . . . . 5219 1 312 . 1 1 108 108 PRO C C 13 177.7 0.1 . 1 . . . . . . . . 5219 1 313 . 1 1 108 108 PRO CA C 13 64 0.1 . 1 . . . . . . . . 5219 1 314 . 1 1 109 109 ARG H H 1 7.49 0.02 . 1 . . . . . . . . 5219 1 315 . 1 1 109 109 ARG C C 13 174.8 0.1 . 1 . . . . . . . . 5219 1 316 . 1 1 109 109 ARG CA C 13 54.6 0.1 . 1 . . . . . . . . 5219 1 317 . 1 1 109 109 ARG CB C 13 29.2 0.1 . 1 . . . . . . . . 5219 1 318 . 1 1 109 109 ARG N N 15 113.1 0.1 . 1 . . . . . . . . 5219 1 319 . 1 1 110 110 ARG H H 1 7.4 0.02 . 1 . . . . . . . . 5219 1 320 . 1 1 110 110 ARG C C 13 177.8 0.1 . 1 . . . . . . . . 5219 1 321 . 1 1 110 110 ARG CA C 13 58.1 0.1 . 1 . . . . . . . . 5219 1 322 . 1 1 110 110 ARG CB C 13 26.4 0.1 . 1 . . . . . . . . 5219 1 323 . 1 1 110 110 ARG N N 15 113.1 0.1 . 1 . . . . . . . . 5219 1 324 . 1 1 111 111 PHE H H 1 7.49 0.02 . 1 . . . . . . . . 5219 1 325 . 1 1 111 111 PHE C C 13 176.5 0.1 . 1 . . . . . . . . 5219 1 326 . 1 1 111 111 PHE CA C 13 56.2 0.1 . 1 . . . . . . . . 5219 1 327 . 1 1 111 111 PHE CB C 13 40.5 0.1 . 1 . . . . . . . . 5219 1 328 . 1 1 111 111 PHE N N 15 115.9 0.1 . 1 . . . . . . . . 5219 1 329 . 1 1 112 112 GLY H H 1 8.14 0.02 . 1 . . . . . . . . 5219 1 330 . 1 1 112 112 GLY C C 13 170.7 0.1 . 1 . . . . . . . . 5219 1 331 . 1 1 112 112 GLY CA C 13 43.8 0.1 . 1 . . . . . . . . 5219 1 332 . 1 1 112 112 GLY N N 15 108.9 0.1 . 1 . . . . . . . . 5219 1 333 . 1 1 113 113 ALA H H 1 9.15 0.02 . 1 . . . . . . . . 5219 1 334 . 1 1 113 113 ALA C C 13 174.8 0.1 . 1 . . . . . . . . 5219 1 335 . 1 1 113 113 ALA CA C 13 52.5 0.1 . 1 . . . . . . . . 5219 1 336 . 1 1 113 113 ALA CB C 13 22.7 0.1 . 1 . . . . . . . . 5219 1 337 . 1 1 113 113 ALA N N 15 116.7 0.1 . 1 . . . . . . . . 5219 1 338 . 1 1 114 114 TRP H H 1 9.05 0.02 . 1 . . . . . . . . 5219 1 339 . 1 1 114 114 TRP C C 13 174.7 0.1 . 1 . . . . . . . . 5219 1 340 . 1 1 114 114 TRP CA C 13 57.4 0.1 . 1 . . . . . . . . 5219 1 341 . 1 1 114 114 TRP CB C 13 31.1 0.1 . 1 . . . . . . . . 5219 1 342 . 1 1 114 114 TRP N N 15 121.7 0.1 . 1 . . . . . . . . 5219 1 343 . 1 1 115 115 LEU H H 1 9.31 0.02 . 1 . . . . . . . . 5219 1 344 . 1 1 115 115 LEU CA C 13 51.5 0.1 . 1 . . . . . . . . 5219 1 345 . 1 1 115 115 LEU CB C 13 45.7 0.1 . 1 . . . . . . . . 5219 1 346 . 1 1 115 115 LEU N N 15 122.1 0.1 . 1 . . . . . . . . 5219 1 347 . 1 1 116 116 TRP H H 1 8.52 0.02 . 1 . . . . . . . . 5219 1 348 . 1 1 116 116 TRP C C 13 176.3 0.1 . 1 . . . . . . . . 5219 1 349 . 1 1 116 116 TRP CA C 13 54.8 0.1 . 1 . . . . . . . . 5219 1 350 . 1 1 116 116 TRP CB C 13 34.9 0.1 . 1 . . . . . . . . 5219 1 351 . 1 1 116 116 TRP N N 15 119.4 0.1 . 1 . . . . . . . . 5219 1 352 . 1 1 117 117 THR H H 1 7.88 0.02 . 1 . . . . . . . . 5219 1 353 . 1 1 117 117 THR C C 13 173.8 0.1 . 1 . . . . . . . . 5219 1 354 . 1 1 117 117 THR CA C 13 59.1 0.1 . 1 . . . . . . . . 5219 1 355 . 1 1 117 117 THR CB C 13 69.6 0.1 . 1 . . . . . . . . 5219 1 356 . 1 1 117 117 THR N N 15 120.4 0.1 . 1 . . . . . . . . 5219 1 357 . 1 1 118 118 LYS H H 1 8.52 0.02 . 1 . . . . . . . . 5219 1 358 . 1 1 118 118 LYS C C 13 176.3 0.1 . 1 . . . . . . . . 5219 1 359 . 1 1 118 118 LYS CA C 13 58.6 0.1 . 1 . . . . . . . . 5219 1 360 . 1 1 118 118 LYS N N 15 127.8 0.1 . 1 . . . . . . . . 5219 1 361 . 1 1 119 119 GLU H H 1 7.71 0.02 . 1 . . . . . . . . 5219 1 362 . 1 1 119 119 GLU CA C 13 53.7 0.1 . 1 . . . . . . . . 5219 1 363 . 1 1 119 119 GLU N N 15 113.9 0.1 . 1 . . . . . . . . 5219 1 364 . 1 1 124 124 ASN C C 13 169.1 0.1 . 1 . . . . . . . . 5219 1 365 . 1 1 124 124 ASN CA C 13 54.8 0.1 . 1 . . . . . . . . 5219 1 366 . 1 1 125 125 VAL H H 1 8.83 0.02 . 1 . . . . . . . . 5219 1 367 . 1 1 125 125 VAL C C 13 178.9 0.1 . 1 . . . . . . . . 5219 1 368 . 1 1 125 125 VAL CA C 13 65.4 0.1 . 1 . . . . . . . . 5219 1 369 . 1 1 125 125 VAL CB C 13 31.1 0.1 . 1 . . . . . . . . 5219 1 370 . 1 1 125 125 VAL N N 15 118.4 0.1 . 1 . . . . . . . . 5219 1 371 . 1 1 126 126 LEU H H 1 7.87 0.02 . 1 . . . . . . . . 5219 1 372 . 1 1 126 126 LEU C C 13 177.8 0.1 . 1 . . . . . . . . 5219 1 373 . 1 1 126 126 LEU CA C 13 57.4 0.1 . 1 . . . . . . . . 5219 1 374 . 1 1 126 126 LEU CB C 13 41 0.1 . 1 . . . . . . . . 5219 1 375 . 1 1 126 126 LEU N N 15 121.1 0.1 . 1 . . . . . . . . 5219 1 376 . 1 1 127 127 THR H H 1 8.38 0.02 . 1 . . . . . . . . 5219 1 377 . 1 1 127 127 THR CA C 13 66.6 0.1 . 1 . . . . . . . . 5219 1 378 . 1 1 127 127 THR N N 15 116.5 0.1 . 1 . . . . . . . . 5219 1 379 . 1 1 133 133 PRO C C 13 176.9 0.1 . 1 . . . . . . . . 5219 1 380 . 1 1 133 133 PRO CA C 13 63 0.1 . 1 . . . . . . . . 5219 1 381 . 1 1 134 134 LEU H H 1 7.71 0.02 . 1 . . . . . . . . 5219 1 382 . 1 1 134 134 LEU C C 13 176.9 0.1 . 1 . . . . . . . . 5219 1 383 . 1 1 134 134 LEU CA C 13 53.7 0.1 . 1 . . . . . . . . 5219 1 384 . 1 1 134 134 LEU CB C 13 38.6 0.1 . 1 . . . . . . . . 5219 1 385 . 1 1 134 134 LEU N N 15 113.9 0.1 . 1 . . . . . . . . 5219 1 386 . 1 1 135 135 SER H H 1 7.56 0.02 . 1 . . . . . . . . 5219 1 387 . 1 1 135 135 SER CA C 13 57.2 0.1 . 1 . . . . . . . . 5219 1 388 . 1 1 135 135 SER CB C 13 65.8 0.1 . 1 . . . . . . . . 5219 1 389 . 1 1 135 135 SER N N 15 115.4 0.1 . 1 . . . . . . . . 5219 1 390 . 1 1 136 136 ASP H H 1 8.31 0.02 . 1 . . . . . . . . 5219 1 391 . 1 1 136 136 ASP C C 13 176.7 0.1 . 1 . . . . . . . . 5219 1 392 . 1 1 136 136 ASP CA C 13 55.5 0.1 . 1 . . . . . . . . 5219 1 393 . 1 1 136 136 ASP CB C 13 40.5 0.1 . 1 . . . . . . . . 5219 1 394 . 1 1 136 136 ASP N N 15 118.2 0.1 . 1 . . . . . . . . 5219 1 395 . 1 1 137 137 ASP H H 1 7.76 0.02 . 1 . . . . . . . . 5219 1 396 . 1 1 137 137 ASP C C 13 175.5 0.1 . 1 . . . . . . . . 5219 1 397 . 1 1 137 137 ASP CA C 13 55.1 0.1 . 1 . . . . . . . . 5219 1 398 . 1 1 137 137 ASP CB C 13 40.5 0.1 . 1 . . . . . . . . 5219 1 399 . 1 1 137 137 ASP N N 15 116.5 0.1 . 1 . . . . . . . . 5219 1 400 . 1 1 138 138 PHE H H 1 7.25 0.02 . 1 . . . . . . . . 5219 1 401 . 1 1 138 138 PHE C C 13 172 0.1 . 1 . . . . . . . . 5219 1 402 . 1 1 138 138 PHE CA C 13 57.2 0.1 . 1 . . . . . . . . 5219 1 403 . 1 1 138 138 PHE CB C 13 38.2 0.1 . 1 . . . . . . . . 5219 1 404 . 1 1 138 138 PHE N N 15 117.5 0.1 . 1 . . . . . . . . 5219 1 405 . 1 1 139 139 ASN H H 1 6.41 0.02 . 1 . . . . . . . . 5219 1 406 . 1 1 139 139 ASN C C 13 174.1 0.1 . 1 . . . . . . . . 5219 1 407 . 1 1 139 139 ASN CA C 13 50.8 0.1 . 1 . . . . . . . . 5219 1 408 . 1 1 139 139 ASN CB C 13 39.6 0.1 . 1 . . . . . . . . 5219 1 409 . 1 1 139 139 ASN N N 15 119.6 0.1 . 1 . . . . . . . . 5219 1 410 . 1 1 140 140 GLY H H 1 8.86 0.02 . 1 . . . . . . . . 5219 1 411 . 1 1 140 140 GLY C C 13 173.9 0.1 . 1 . . . . . . . . 5219 1 412 . 1 1 140 140 GLY CA C 13 47.3 0.1 . 1 . . . . . . . . 5219 1 413 . 1 1 140 140 GLY N N 15 106.9 0.1 . 1 . . . . . . . . 5219 1 414 . 1 1 141 141 GLU H H 1 8.31 0.02 . 1 . . . . . . . . 5219 1 415 . 1 1 141 141 GLU C C 13 178.6 0.1 . 1 . . . . . . . . 5219 1 416 . 1 1 141 141 GLU CA C 13 59.5 0.1 . 1 . . . . . . . . 5219 1 417 . 1 1 141 141 GLU CB C 13 28.8 0.1 . 1 . . . . . . . . 5219 1 418 . 1 1 141 141 GLU N N 15 122.8 0.1 . 1 . . . . . . . . 5219 1 419 . 1 1 142 142 TYR H H 1 8.38 0.02 . 1 . . . . . . . . 5219 1 420 . 1 1 142 142 TYR C C 13 176.6 0.1 . 1 . . . . . . . . 5219 1 421 . 1 1 142 142 TYR CA C 13 60.5 0.1 . 1 . . . . . . . . 5219 1 422 . 1 1 142 142 TYR CB C 13 38.2 0.1 . 1 . . . . . . . . 5219 1 423 . 1 1 142 142 TYR N N 15 121.1 0.1 . 1 . . . . . . . . 5219 1 424 . 1 1 143 143 LEU H H 1 8.13 0.02 . 1 . . . . . . . . 5219 1 425 . 1 1 143 143 LEU C C 13 178 0.1 . 1 . . . . . . . . 5219 1 426 . 1 1 143 143 LEU CA C 13 57.4 0.1 . 1 . . . . . . . . 5219 1 427 . 1 1 143 143 LEU CB C 13 41.9 0.1 . 1 . . . . . . . . 5219 1 428 . 1 1 143 143 LEU N N 15 118.3 0.1 . 1 . . . . . . . . 5219 1 429 . 1 1 144 144 HIS H H 1 8.76 0.02 . 1 . . . . . . . . 5219 1 430 . 1 1 144 144 HIS CA C 13 60.9 0.1 . 1 . . . . . . . . 5219 1 431 . 1 1 144 144 HIS CB C 13 30.7 0.1 . 1 . . . . . . . . 5219 1 432 . 1 1 144 144 HIS N N 15 119 0.1 . 1 . . . . . . . . 5219 1 433 . 1 1 145 145 GLN H H 1 8.31 0.02 . 1 . . . . . . . . 5219 1 434 . 1 1 145 145 GLN C C 13 179.7 0.1 . 1 . . . . . . . . 5219 1 435 . 1 1 145 145 GLN CA C 13 58.6 0.1 . 1 . . . . . . . . 5219 1 436 . 1 1 145 145 GLN CB C 13 27.4 0.1 . 1 . . . . . . . . 5219 1 437 . 1 1 145 145 GLN N N 15 118.2 0.1 . 1 . . . . . . . . 5219 1 438 . 1 1 146 146 LYS H H 1 7.86 0.02 . 1 . . . . . . . . 5219 1 439 . 1 1 146 146 LYS C C 13 178.7 0.1 . 1 . . . . . . . . 5219 1 440 . 1 1 146 146 LYS CA C 13 55.5 0.1 . 1 . . . . . . . . 5219 1 441 . 1 1 146 146 LYS CB C 13 32.1 0.1 . 1 . . . . . . . . 5219 1 442 . 1 1 146 146 LYS N N 15 116.1 0.1 . 1 . . . . . . . . 5219 1 443 . 1 1 147 147 CYS H H 1 7.98 0.02 . 1 . . . . . . . . 5219 1 444 . 1 1 147 147 CYS C C 13 175 0.1 . 1 . . . . . . . . 5219 1 445 . 1 1 147 147 CYS CA C 13 62.1 0.1 . 1 . . . . . . . . 5219 1 446 . 1 1 147 147 CYS CB C 13 27.8 0.1 . 1 . . . . . . . . 5219 1 447 . 1 1 147 147 CYS N N 15 116.6 0.1 . 1 . . . . . . . . 5219 1 448 . 1 1 148 148 ALA H H 1 7.15 0.02 . 1 . . . . . . . . 5219 1 449 . 1 1 148 148 ALA CA C 13 54.6 0.1 . 1 . . . . . . . . 5219 1 450 . 1 1 148 148 ALA N N 15 121.7 0.1 . 1 . . . . . . . . 5219 1 451 . 1 1 151 151 LYS C C 13 175.7 0.1 . 1 . . . . . . . . 5219 1 452 . 1 1 151 151 LYS CA C 13 54.6 0.1 . 1 . . . . . . . . 5219 1 453 . 1 1 151 151 LYS CB C 13 29.7 0.1 . 1 . . . . . . . . 5219 1 454 . 1 1 152 152 THR H H 1 7.26 0.02 . 1 . . . . . . . . 5219 1 455 . 1 1 152 152 THR C C 13 172.5 0.1 . 1 . . . . . . . . 5219 1 456 . 1 1 152 152 THR CA C 13 60.2 0.1 . 1 . . . . . . . . 5219 1 457 . 1 1 152 152 THR CB C 13 70 0.1 . 1 . . . . . . . . 5219 1 458 . 1 1 152 152 THR N N 15 114 0.1 . 1 . . . . . . . . 5219 1 459 . 1 1 153 153 ALA H H 1 8.65 0.02 . 1 . . . . . . . . 5219 1 460 . 1 1 153 153 ALA C C 13 178.8 0.1 . 1 . . . . . . . . 5219 1 461 . 1 1 153 153 ALA CA C 13 52.5 0.1 . 1 . . . . . . . . 5219 1 462 . 1 1 153 153 ALA CB C 13 17.5 0.1 . 1 . . . . . . . . 5219 1 463 . 1 1 153 153 ALA N N 15 128 0.1 . 1 . . . . . . . . 5219 1 464 . 1 1 154 154 ILE H H 1 8.98 0.02 . 1 . . . . . . . . 5219 1 465 . 1 1 154 154 ILE C C 13 174.9 0.1 . 1 . . . . . . . . 5219 1 466 . 1 1 154 154 ILE CA C 13 60 0.1 . 1 . . . . . . . . 5219 1 467 . 1 1 154 154 ILE CB C 13 38.6 0.1 . 1 . . . . . . . . 5219 1 468 . 1 1 154 154 ILE N N 15 119.6 0.1 . 1 . . . . . . . . 5219 1 469 . 1 1 155 155 LYS H H 1 7.23 0.02 . 1 . . . . . . . . 5219 1 470 . 1 1 155 155 LYS CA C 13 63 0.1 . 1 . . . . . . . . 5219 1 471 . 1 1 155 155 LYS CB C 13 28.8 0.1 . 1 . . . . . . . . 5219 1 472 . 1 1 155 155 LYS N N 15 120.2 0.1 . 1 . . . . . . . . 5219 1 473 . 1 1 156 156 PRO C C 13 179.3 0.1 . 1 . . . . . . . . 5219 1 474 . 1 1 156 156 PRO CA C 13 64.4 0.1 . 1 . . . . . . . . 5219 1 475 . 1 1 157 157 TRP H H 1 7.22 0.02 . 1 . . . . . . . . 5219 1 476 . 1 1 157 157 TRP C C 13 176.3 0.1 . 1 . . . . . . . . 5219 1 477 . 1 1 157 157 TRP CA C 13 57.9 0.1 . 1 . . . . . . . . 5219 1 478 . 1 1 157 157 TRP CB C 13 31.6 0.1 . 1 . . . . . . . . 5219 1 479 . 1 1 157 157 TRP N N 15 122.7 0.1 . 1 . . . . . . . . 5219 1 480 . 1 1 158 158 LEU H H 1 7.8 0.02 . 1 . . . . . . . . 5219 1 481 . 1 1 158 158 LEU C C 13 175.9 0.1 . 1 . . . . . . . . 5219 1 482 . 1 1 158 158 LEU CA C 13 56.2 0.1 . 1 . . . . . . . . 5219 1 483 . 1 1 158 158 LEU CB C 13 42.4 0.1 . 1 . . . . . . . . 5219 1 484 . 1 1 158 158 LEU N N 15 113.8 0.1 . 1 . . . . . . . . 5219 1 485 . 1 1 159 159 MET H H 1 6.68 0.02 . 1 . . . . . . . . 5219 1 486 . 1 1 159 159 MET C C 13 174.8 0.1 . 1 . . . . . . . . 5219 1 487 . 1 1 159 159 MET CA C 13 54.8 0.1 . 1 . . . . . . . . 5219 1 488 . 1 1 159 159 MET CB C 13 33.5 0.1 . 1 . . . . . . . . 5219 1 489 . 1 1 159 159 MET N N 15 110.3 0.1 . 1 . . . . . . . . 5219 1 490 . 1 1 160 160 ASP H H 1 7.71 0.02 . 1 . . . . . . . . 5219 1 491 . 1 1 160 160 ASP C C 13 176.5 0.1 . 1 . . . . . . . . 5219 1 492 . 1 1 160 160 ASP CA C 13 53.2 0.1 . 1 . . . . . . . . 5219 1 493 . 1 1 160 160 ASP CB C 13 42.8 0.1 . 1 . . . . . . . . 5219 1 494 . 1 1 160 160 ASP N N 15 123.4 0.1 . 1 . . . . . . . . 5219 1 495 . 1 1 161 161 ASN H H 1 8.65 0.02 . 1 . . . . . . . . 5219 1 496 . 1 1 161 161 ASN C C 13 176.3 0.1 . 1 . . . . . . . . 5219 1 497 . 1 1 161 161 ASN CA C 13 54.4 0.1 . 1 . . . . . . . . 5219 1 498 . 1 1 161 161 ASN CB C 13 38.6 0.1 . 1 . . . . . . . . 5219 1 499 . 1 1 161 161 ASN N N 15 124.7 0.1 . 1 . . . . . . . . 5219 1 500 . 1 1 162 162 LYS H H 1 8.98 0.02 . 1 . . . . . . . . 5219 1 501 . 1 1 162 162 LYS C C 13 178.1 0.1 . 1 . . . . . . . . 5219 1 502 . 1 1 162 162 LYS CA C 13 58.1 0.1 . 1 . . . . . . . . 5219 1 503 . 1 1 162 162 LYS CB C 13 32 0.1 . 1 . . . . . . . . 5219 1 504 . 1 1 162 162 LYS N N 15 118.1 0.1 . 1 . . . . . . . . 5219 1 505 . 1 1 163 163 LEU H H 1 7.88 0.02 . 1 . . . . . . . . 5219 1 506 . 1 1 163 163 LEU CA C 13 56 0.1 . 1 . . . . . . . . 5219 1 507 . 1 1 163 163 LEU CB C 13 38.6 0.1 . 1 . . . . . . . . 5219 1 508 . 1 1 163 163 LEU N N 15 120.4 0.1 . 1 . . . . . . . . 5219 1 509 . 1 1 172 172 ALA C C 13 179.9 0.1 . 1 . . . . . . . . 5219 1 510 . 1 1 172 172 ALA CA C 13 56.7 0.1 . 1 . . . . . . . . 5219 1 511 . 1 1 173 173 SER H H 1 8.42 0.02 . 1 . . . . . . . . 5219 1 512 . 1 1 173 173 SER C C 13 174 0.1 . 1 . . . . . . . . 5219 1 513 . 1 1 173 173 SER CA C 13 64.9 0.1 . 1 . . . . . . . . 5219 1 514 . 1 1 173 173 SER N N 15 119.5 0.1 . 1 . . . . . . . . 5219 1 515 . 1 1 174 174 GLU H H 1 7.43 0.02 . 1 . . . . . . . . 5219 1 516 . 1 1 174 174 GLU C C 13 179.7 0.1 . 1 . . . . . . . . 5219 1 517 . 1 1 174 174 GLU CA C 13 59.3 0.1 . 1 . . . . . . . . 5219 1 518 . 1 1 174 174 GLU CB C 13 31.6 0.1 . 1 . . . . . . . . 5219 1 519 . 1 1 174 174 GLU N N 15 116.1 0.1 . 1 . . . . . . . . 5219 1 520 . 1 1 175 175 SER H H 1 8.77 0.02 . 1 . . . . . . . . 5219 1 521 . 1 1 175 175 SER C C 13 175.2 0.1 . 1 . . . . . . . . 5219 1 522 . 1 1 175 175 SER CA C 13 62.3 0.1 . 1 . . . . . . . . 5219 1 523 . 1 1 175 175 SER N N 15 117 0.1 . 1 . . . . . . . . 5219 1 524 . 1 1 176 176 LEU H H 1 7.49 0.02 . 1 . . . . . . . . 5219 1 525 . 1 1 176 176 LEU C C 13 178.5 0.1 . 1 . . . . . . . . 5219 1 526 . 1 1 176 176 LEU CA C 13 58.4 0.1 . 1 . . . . . . . . 5219 1 527 . 1 1 176 176 LEU CB C 13 38.2 0.1 . 1 . . . . . . . . 5219 1 528 . 1 1 176 176 LEU N N 15 121.7 0.1 . 1 . . . . . . . . 5219 1 529 . 1 1 177 177 PHE H H 1 7.69 0.02 . 1 . . . . . . . . 5219 1 530 . 1 1 177 177 PHE CA C 13 61.9 0.1 . 1 . . . . . . . . 5219 1 531 . 1 1 177 177 PHE CB C 13 38.2 0.1 . 1 . . . . . . . . 5219 1 532 . 1 1 177 177 PHE N N 15 118.2 0.1 . 1 . . . . . . . . 5219 1 533 . 1 1 178 178 ALA H H 1 7.84 0.02 . 1 . . . . . . . . 5219 1 534 . 1 1 178 178 ALA C C 13 178.5 0.1 . 1 . . . . . . . . 5219 1 535 . 1 1 178 178 ALA CA C 13 53.9 0.1 . 1 . . . . . . . . 5219 1 536 . 1 1 178 178 ALA CB C 13 17.5 0.1 . 1 . . . . . . . . 5219 1 537 . 1 1 178 178 ALA N N 15 122.5 0.1 . 1 . . . . . . . . 5219 1 538 . 1 1 179 179 ALA H H 1 7.98 0.02 . 1 . . . . . . . . 5219 1 539 . 1 1 179 179 ALA C C 13 175.7 0.1 . 1 . . . . . . . . 5219 1 540 . 1 1 179 179 ALA CA C 13 51.1 0.1 . 1 . . . . . . . . 5219 1 541 . 1 1 179 179 ALA CB C 13 19.9 0.1 . 1 . . . . . . . . 5219 1 542 . 1 1 179 179 ALA N N 15 116.6 0.1 . 1 . . . . . . . . 5219 1 543 . 1 1 180 180 GLY H H 1 7.77 0.02 . 1 . . . . . . . . 5219 1 544 . 1 1 180 180 GLY C C 13 175.6 0.1 . 1 . . . . . . . . 5219 1 545 . 1 1 180 180 GLY CA C 13 46.4 0.1 . 1 . . . . . . . . 5219 1 546 . 1 1 180 180 GLY N N 15 108.3 0.1 . 1 . . . . . . . . 5219 1 547 . 1 1 181 181 ILE H H 1 8.31 0.02 . 1 . . . . . . . . 5219 1 548 . 1 1 181 181 ILE C C 13 173.9 0.1 . 1 . . . . . . . . 5219 1 549 . 1 1 181 181 ILE CA C 13 59.5 0.1 . 1 . . . . . . . . 5219 1 550 . 1 1 181 181 ILE CB C 13 41 0.1 . 1 . . . . . . . . 5219 1 551 . 1 1 181 181 ILE N N 15 122.8 0.1 . 1 . . . . . . . . 5219 1 552 . 1 1 182 182 HIS H H 1 8.12 0.02 . 1 . . . . . . . . 5219 1 553 . 1 1 182 182 HIS CA C 13 52.3 0.1 . 1 . . . . . . . . 5219 1 554 . 1 1 182 182 HIS N N 15 121.5 0.1 . 1 . . . . . . . . 5219 1 555 . 1 1 183 183 PRO C C 13 175.3 0.1 . 1 . . . . . . . . 5219 1 556 . 1 1 183 183 PRO CA C 13 64.2 0.1 . 1 . . . . . . . . 5219 1 557 . 1 1 183 183 PRO CB C 13 32.5 0.1 . 1 . . . . . . . . 5219 1 558 . 1 1 184 184 ASP H H 1 9.97 0.02 . 1 . . . . . . . . 5219 1 559 . 1 1 184 184 ASP C C 13 178.1 0.1 . 1 . . . . . . . . 5219 1 560 . 1 1 184 184 ASP CA C 13 54.4 0.1 . 1 . . . . . . . . 5219 1 561 . 1 1 184 184 ASP CB C 13 41 0.1 . 1 . . . . . . . . 5219 1 562 . 1 1 184 184 ASP N N 15 115.4 0.1 . 1 . . . . . . . . 5219 1 563 . 1 1 185 185 ARG H H 1 7.78 0.02 . 1 . . . . . . . . 5219 1 564 . 1 1 185 185 ARG C C 13 176.3 0.1 . 1 . . . . . . . . 5219 1 565 . 1 1 185 185 ARG CA C 13 55.3 0.1 . 1 . . . . . . . . 5219 1 566 . 1 1 185 185 ARG CB C 13 27.8 0.1 . 1 . . . . . . . . 5219 1 567 . 1 1 185 185 ARG N N 15 121.3 0.1 . 1 . . . . . . . . 5219 1 568 . 1 1 186 186 LEU H H 1 8.67 0.02 . 1 . . . . . . . . 5219 1 569 . 1 1 186 186 LEU C C 13 169.4 0.1 . 1 . . . . . . . . 5219 1 570 . 1 1 186 186 LEU CA C 13 54.1 0.1 . 1 . . . . . . . . 5219 1 571 . 1 1 186 186 LEU CB C 13 40.5 0.1 . 1 . . . . . . . . 5219 1 572 . 1 1 186 186 LEU N N 15 120.9 0.1 . 1 . . . . . . . . 5219 1 573 . 1 1 187 187 ALA H H 1 9.35 0.02 . 1 . . . . . . . . 5219 1 574 . 1 1 187 187 ALA C C 13 178.2 0.1 . 1 . . . . . . . . 5219 1 575 . 1 1 187 187 ALA CA C 13 55.5 0.1 . 1 . . . . . . . . 5219 1 576 . 1 1 187 187 ALA CB C 13 17.1 0.1 . 1 . . . . . . . . 5219 1 577 . 1 1 187 187 ALA N N 15 129.6 0.1 . 1 . . . . . . . . 5219 1 578 . 1 1 188 188 SER H H 1 7.73 0.02 . 1 . . . . . . . . 5219 1 579 . 1 1 188 188 SER C C 13 175 0.1 . 1 . . . . . . . . 5219 1 580 . 1 1 188 188 SER CA C 13 59.5 0.1 . 1 . . . . . . . . 5219 1 581 . 1 1 188 188 SER CB C 13 62.5 0.1 . 1 . . . . . . . . 5219 1 582 . 1 1 188 188 SER N N 15 110.3 0.1 . 1 . . . . . . . . 5219 1 583 . 1 1 189 189 SER H H 1 8.09 0.02 . 1 . . . . . . . . 5219 1 584 . 1 1 189 189 SER C C 13 175.3 0.1 . 1 . . . . . . . . 5219 1 585 . 1 1 189 189 SER CA C 13 58.6 0.1 . 1 . . . . . . . . 5219 1 586 . 1 1 189 189 SER CB C 13 65.8 0.1 . 1 . . . . . . . . 5219 1 587 . 1 1 189 189 SER N N 15 117.7 0.1 . 1 . . . . . . . . 5219 1 588 . 1 1 190 190 LEU H H 1 7.3 0.02 . 1 . . . . . . . . 5219 1 589 . 1 1 190 190 LEU C C 13 177.9 0.1 . 1 . . . . . . . . 5219 1 590 . 1 1 190 190 LEU CA C 13 54.8 0.1 . 1 . . . . . . . . 5219 1 591 . 1 1 190 190 LEU CB C 13 41.4 0.1 . 1 . . . . . . . . 5219 1 592 . 1 1 190 190 LEU N N 15 124.8 0.1 . 1 . . . . . . . . 5219 1 593 . 1 1 191 191 SER H H 1 9.67 0.02 . 1 . . . . . . . . 5219 1 594 . 1 1 191 191 SER C C 13 175.5 0.1 . 1 . . . . . . . . 5219 1 595 . 1 1 191 191 SER CA C 13 56.2 0.1 . 1 . . . . . . . . 5219 1 596 . 1 1 191 191 SER CB C 13 65.3 0.1 . 1 . . . . . . . . 5219 1 597 . 1 1 191 191 SER N N 15 120.9 0.1 . 1 . . . . . . . . 5219 1 598 . 1 1 192 192 LEU H H 1 8.87 0.02 . 1 . . . . . . . . 5219 1 599 . 1 1 192 192 LEU C C 13 178.1 0.1 . 1 . . . . . . . . 5219 1 600 . 1 1 192 192 LEU CA C 13 58.6 0.1 . 1 . . . . . . . . 5219 1 601 . 1 1 192 192 LEU CB C 13 39.6 0.1 . 1 . . . . . . . . 5219 1 602 . 1 1 192 192 LEU N N 15 123.6 0.1 . 1 . . . . . . . . 5219 1 603 . 1 1 193 193 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 5219 1 604 . 1 1 193 193 ALA CA C 13 54.8 0.1 . 1 . . . . . . . . 5219 1 605 . 1 1 193 193 ALA CB C 13 17.5 0.1 . 1 . . . . . . . . 5219 1 606 . 1 1 193 193 ALA N N 15 119.8 0.1 . 1 . . . . . . . . 5219 1 607 . 1 1 194 194 GLU H H 1 8.04 0.02 . 1 . . . . . . . . 5219 1 608 . 1 1 194 194 GLU C C 13 178.5 0.1 . 1 . . . . . . . . 5219 1 609 . 1 1 194 194 GLU CA C 13 59.3 0.1 . 1 . . . . . . . . 5219 1 610 . 1 1 194 194 GLU CB C 13 28.8 0.1 . 1 . . . . . . . . 5219 1 611 . 1 1 194 194 GLU N N 15 119.4 0.1 . 1 . . . . . . . . 5219 1 612 . 1 1 195 195 CYS H H 1 8.26 0.02 . 1 . . . . . . . . 5219 1 613 . 1 1 195 195 CYS C C 13 176.8 0.1 . 1 . . . . . . . . 5219 1 614 . 1 1 195 195 CYS CA C 13 64.7 0.1 . 1 . . . . . . . . 5219 1 615 . 1 1 195 195 CYS CB C 13 28.8 0.1 . 1 . . . . . . . . 5219 1 616 . 1 1 195 195 CYS N N 15 117.5 0.1 . 1 . . . . . . . . 5219 1 617 . 1 1 196 196 GLU H H 1 8.94 0.02 . 1 . . . . . . . . 5219 1 618 . 1 1 196 196 GLU C C 13 178.8 0.1 . 1 . . . . . . . . 5219 1 619 . 1 1 196 196 GLU CA C 13 59.1 0.1 . 1 . . . . . . . . 5219 1 620 . 1 1 196 196 GLU CB C 13 28.8 0.1 . 1 . . . . . . . . 5219 1 621 . 1 1 196 196 GLU N N 15 120.4 0.1 . 1 . . . . . . . . 5219 1 622 . 1 1 197 197 LEU H H 1 7.74 0.02 . 1 . . . . . . . . 5219 1 623 . 1 1 197 197 LEU C C 13 173 0.1 . 1 . . . . . . . . 5219 1 624 . 1 1 197 197 LEU CA C 13 57.2 0.1 . 1 . . . . . . . . 5219 1 625 . 1 1 197 197 LEU CB C 13 41 0.1 . 1 . . . . . . . . 5219 1 626 . 1 1 197 197 LEU N N 15 120.5 0.1 . 1 . . . . . . . . 5219 1 627 . 1 1 208 208 ARG C C 13 179 0.1 . 1 . . . . . . . . 5219 1 628 . 1 1 208 208 ARG CA C 13 56.2 0.1 . 1 . . . . . . . . 5219 1 629 . 1 1 209 209 SER H H 1 7.07 0.02 . 1 . . . . . . . . 5219 1 630 . 1 1 209 209 SER CA C 13 64.2 0.1 . 1 . . . . . . . . 5219 1 631 . 1 1 209 209 SER CB C 13 66.3 0.1 . 1 . . . . . . . . 5219 1 632 . 1 1 209 209 SER N N 15 111.4 0.1 . 1 . . . . . . . . 5219 1 633 . 1 1 210 210 ILE H H 1 8.5 0.02 . 1 . . . . . . . . 5219 1 634 . 1 1 210 210 ILE CA C 13 59.1 0.1 . 1 . . . . . . . . 5219 1 635 . 1 1 210 210 ILE CB C 13 45.7 0.1 . 1 . . . . . . . . 5219 1 636 . 1 1 210 210 ILE N N 15 119.5 0.1 . 1 . . . . . . . . 5219 1 637 . 1 1 212 212 GLN C C 13 177.2 0.1 . 1 . . . . . . . . 5219 1 638 . 1 1 212 212 GLN CA C 13 56.2 0.1 . 1 . . . . . . . . 5219 1 639 . 1 1 212 212 GLN CB C 13 28.3 0.1 . 1 . . . . . . . . 5219 1 640 . 1 1 213 213 GLY H H 1 8.07 0.02 . 1 . . . . . . . . 5219 1 641 . 1 1 213 213 GLY C C 13 174.9 0.1 . 1 . . . . . . . . 5219 1 642 . 1 1 213 213 GLY CA C 13 45.4 0.1 . 1 . . . . . . . . 5219 1 643 . 1 1 213 213 GLY N N 15 108 0.1 . 1 . . . . . . . . 5219 1 644 . 1 1 214 214 GLY H H 1 8.19 0.02 . 1 . . . . . . . . 5219 1 645 . 1 1 214 214 GLY C C 13 174.6 0.1 . 1 . . . . . . . . 5219 1 646 . 1 1 214 214 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5219 1 647 . 1 1 214 214 GLY N N 15 108.4 0.1 . 1 . . . . . . . . 5219 1 648 . 1 1 215 215 THR H H 1 8.02 0.02 . 1 . . . . . . . . 5219 1 649 . 1 1 215 215 THR C C 13 174.8 0.1 . 1 . . . . . . . . 5219 1 650 . 1 1 215 215 THR CA C 13 61.9 0.1 . 1 . . . . . . . . 5219 1 651 . 1 1 215 215 THR N N 15 113.1 0.1 . 1 . . . . . . . . 5219 1 652 . 1 1 216 216 THR H H 1 8.15 0.02 . 1 . . . . . . . . 5219 1 653 . 1 1 216 216 THR C C 13 174.9 0.1 . 1 . . . . . . . . 5219 1 654 . 1 1 216 216 THR CA C 13 61.6 0.1 . 1 . . . . . . . . 5219 1 655 . 1 1 216 216 THR CB C 13 70 0.1 . 1 . . . . . . . . 5219 1 656 . 1 1 216 216 THR N N 15 115.4 0.1 . 1 . . . . . . . . 5219 1 657 . 1 1 217 217 LEU H H 1 8.15 0.02 . 1 . . . . . . . . 5219 1 658 . 1 1 217 217 LEU C C 13 177.7 0.1 . 1 . . . . . . . . 5219 1 659 . 1 1 217 217 LEU CA C 13 55.5 0.1 . 1 . . . . . . . . 5219 1 660 . 1 1 217 217 LEU CB C 13 41 0.1 . 1 . . . . . . . . 5219 1 661 . 1 1 217 217 LEU N N 15 123.3 0.1 . 1 . . . . . . . . 5219 1 662 . 1 1 218 218 LYS H H 1 8.12 0.02 . 1 . . . . . . . . 5219 1 663 . 1 1 218 218 LYS C C 13 176.7 0.1 . 1 . . . . . . . . 5219 1 664 . 1 1 218 218 LYS CA C 13 56.9 0.1 . 1 . . . . . . . . 5219 1 665 . 1 1 218 218 LYS CB C 13 32.1 0.1 . 1 . . . . . . . . 5219 1 666 . 1 1 218 218 LYS N N 15 120.3 0.1 . 1 . . . . . . . . 5219 1 667 . 1 1 219 219 ASP H H 1 8.08 0.02 . 1 . . . . . . . . 5219 1 668 . 1 1 219 219 ASP C C 13 176.5 0.1 . 1 . . . . . . . . 5219 1 669 . 1 1 219 219 ASP CA C 13 54.6 0.1 . 1 . . . . . . . . 5219 1 670 . 1 1 219 219 ASP CB C 13 40.5 0.1 . 1 . . . . . . . . 5219 1 671 . 1 1 219 219 ASP N N 15 119.2 0.1 . 1 . . . . . . . . 5219 1 672 . 1 1 220 220 PHE H H 1 7.98 0.02 . 1 . . . . . . . . 5219 1 673 . 1 1 220 220 PHE C C 13 176.1 0.1 . 1 . . . . . . . . 5219 1 674 . 1 1 220 220 PHE CA C 13 58.4 0.1 . 1 . . . . . . . . 5219 1 675 . 1 1 220 220 PHE CB C 13 39.1 0.1 . 1 . . . . . . . . 5219 1 676 . 1 1 220 220 PHE N N 15 119.7 0.1 . 1 . . . . . . . . 5219 1 677 . 1 1 221 221 LEU H H 1 8.09 0.02 . 1 . . . . . . . . 5219 1 678 . 1 1 221 221 LEU C C 13 177.5 0.1 . 1 . . . . . . . . 5219 1 679 . 1 1 221 221 LEU CA C 13 55.1 0.1 . 1 . . . . . . . . 5219 1 680 . 1 1 221 221 LEU CB C 13 41.4 0.1 . 1 . . . . . . . . 5219 1 681 . 1 1 221 221 LEU N N 15 121.1 0.1 . 1 . . . . . . . . 5219 1 682 . 1 1 222 222 GLN H H 1 8.08 0.02 . 1 . . . . . . . . 5219 1 683 . 1 1 222 222 GLN C C 13 176.4 0.1 . 1 . . . . . . . . 5219 1 684 . 1 1 222 222 GLN CA C 13 55.3 0.1 . 1 . . . . . . . . 5219 1 685 . 1 1 222 222 GLN CB C 13 28.8 0.1 . 1 . . . . . . . . 5219 1 686 . 1 1 222 222 GLN N N 15 119.2 0.1 . 1 . . . . . . . . 5219 1 687 . 1 1 223 223 SER H H 1 8.24 0.02 . 1 . . . . . . . . 5219 1 688 . 1 1 223 223 SER C C 13 174.4 0.1 . 1 . . . . . . . . 5219 1 689 . 1 1 223 223 SER CA C 13 58.6 0.1 . 1 . . . . . . . . 5219 1 690 . 1 1 223 223 SER CB C 13 63.5 0.1 . 1 . . . . . . . . 5219 1 691 . 1 1 223 223 SER N N 15 116.2 0.1 . 1 . . . . . . . . 5219 1 692 . 1 1 224 224 ASP H H 1 8.24 0.02 . 1 . . . . . . . . 5219 1 693 . 1 1 224 224 ASP C C 13 176.7 0.1 . 1 . . . . . . . . 5219 1 694 . 1 1 224 224 ASP CA C 13 53.9 0.1 . 1 . . . . . . . . 5219 1 695 . 1 1 224 224 ASP CB C 13 40.5 0.1 . 1 . . . . . . . . 5219 1 696 . 1 1 224 224 ASP N N 15 121.1 0.1 . 1 . . . . . . . . 5219 1 697 . 1 1 225 225 GLY H H 1 8.21 0.02 . 1 . . . . . . . . 5219 1 698 . 1 1 225 225 GLY C C 13 173.8 0.1 . 1 . . . . . . . . 5219 1 699 . 1 1 225 225 GLY CA C 13 45 0.1 . 1 . . . . . . . . 5219 1 700 . 1 1 225 225 GLY N N 15 108 0.1 . 1 . . . . . . . . 5219 1 701 . 1 1 226 226 LYS H H 1 7.94 0.02 . 1 . . . . . . . . 5219 1 702 . 1 1 226 226 LYS CA C 13 53.9 0.1 . 1 . . . . . . . . 5219 1 703 . 1 1 226 226 LYS CB C 13 31.6 0.1 . 1 . . . . . . . . 5219 1 704 . 1 1 226 226 LYS N N 15 121.4 0.1 . 1 . . . . . . . . 5219 1 705 . 1 1 227 227 PRO C C 13 177.4 0.1 . 1 . . . . . . . . 5219 1 706 . 1 1 227 227 PRO CA C 13 62.8 0.1 . 1 . . . . . . . . 5219 1 707 . 1 1 228 228 GLY H H 1 8.39 0.02 . 1 . . . . . . . . 5219 1 708 . 1 1 228 228 GLY C C 13 173.6 0.1 . 1 . . . . . . . . 5219 1 709 . 1 1 228 228 GLY CA C 13 45 0.1 . 1 . . . . . . . . 5219 1 710 . 1 1 228 228 GLY N N 15 108.8 0.1 . 1 . . . . . . . . 5219 1 711 . 1 1 229 229 TYR H H 1 7.88 0.02 . 1 . . . . . . . . 5219 1 712 . 1 1 229 229 TYR C C 13 175.4 0.1 . 1 . . . . . . . . 5219 1 713 . 1 1 229 229 TYR CA C 13 57.6 0.1 . 1 . . . . . . . . 5219 1 714 . 1 1 229 229 TYR CB C 13 38.6 0.1 . 1 . . . . . . . . 5219 1 715 . 1 1 229 229 TYR N N 15 119.7 0.1 . 1 . . . . . . . . 5219 1 716 . 1 1 230 230 PHE H H 1 7.88 0.02 . 1 . . . . . . . . 5219 1 717 . 1 1 230 230 PHE C C 13 175.1 0.1 . 1 . . . . . . . . 5219 1 718 . 1 1 230 230 PHE CA C 13 57.2 0.1 . 1 . . . . . . . . 5219 1 719 . 1 1 230 230 PHE CB C 13 39.1 0.1 . 1 . . . . . . . . 5219 1 720 . 1 1 230 230 PHE N N 15 120.4 0.1 . 1 . . . . . . . . 5219 1 721 . 1 1 231 231 ALA H H 1 7.95 0.02 . 1 . . . . . . . . 5219 1 722 . 1 1 231 231 ALA C C 13 177.4 0.1 . 1 . . . . . . . . 5219 1 723 . 1 1 231 231 ALA CA C 13 52.3 0.1 . 1 . . . . . . . . 5219 1 724 . 1 1 231 231 ALA CB C 13 18.9 0.1 . 1 . . . . . . . . 5219 1 725 . 1 1 231 231 ALA N N 15 124.6 0.1 . 1 . . . . . . . . 5219 1 726 . 1 1 232 232 GLN H H 1 8 0.02 . 1 . . . . . . . . 5219 1 727 . 1 1 232 232 GLN CA C 13 55.3 0.1 . 1 . . . . . . . . 5219 1 728 . 1 1 232 232 GLN CB C 13 28.8 0.1 . 1 . . . . . . . . 5219 1 729 . 1 1 232 232 GLN N N 15 117.7 0.1 . 1 . . . . . . . . 5219 1 730 . 1 1 233 233 GLU C C 13 176.3 0.1 . 1 . . . . . . . . 5219 1 731 . 1 1 233 233 GLU CA C 13 55.5 0.1 . 1 . . . . . . . . 5219 1 732 . 1 1 233 233 GLU CB C 13 30.6 0.1 . 1 . . . . . . . . 5219 1 733 . 1 1 234 234 LEU H H 1 8.12 0.02 . 1 . . . . . . . . 5219 1 734 . 1 1 234 234 LEU C C 13 177.1 0.1 . 1 . . . . . . . . 5219 1 735 . 1 1 234 234 LEU CA C 13 54.1 0.1 . 1 . . . . . . . . 5219 1 736 . 1 1 234 234 LEU CB C 13 40.5 0.1 . 1 . . . . . . . . 5219 1 737 . 1 1 234 234 LEU N N 15 123.9 0.1 . 1 . . . . . . . . 5219 1 738 . 1 1 235 235 GLN H H 1 10.94 0.02 . 1 . . . . . . . . 5219 1 739 . 1 1 235 235 GLN C C 13 179.1 0.1 . 1 . . . . . . . . 5219 1 740 . 1 1 235 235 GLN CA C 13 56.9 0.1 . 1 . . . . . . . . 5219 1 741 . 1 1 235 235 GLN CB C 13 30.7 0.1 . 1 . . . . . . . . 5219 1 742 . 1 1 235 235 GLN N N 15 123.1 0.1 . 1 . . . . . . . . 5219 1 743 . 1 1 236 236 VAL H H 1 10.11 0.02 . 1 . . . . . . . . 5219 1 744 . 1 1 236 236 VAL C C 13 173.5 0.1 . 1 . . . . . . . . 5219 1 745 . 1 1 236 236 VAL CA C 13 61.6 0.1 . 1 . . . . . . . . 5219 1 746 . 1 1 236 236 VAL CB C 13 34.4 0.1 . 1 . . . . . . . . 5219 1 747 . 1 1 236 236 VAL N N 15 115.3 0.1 . 1 . . . . . . . . 5219 1 748 . 1 1 237 237 TYR H H 1 8.98 0.02 . 1 . . . . . . . . 5219 1 749 . 1 1 237 237 TYR CA C 13 60.2 0.1 . 1 . . . . . . . . 5219 1 750 . 1 1 237 237 TYR CB C 13 38.2 0.1 . 1 . . . . . . . . 5219 1 751 . 1 1 237 237 TYR N N 15 123.6 0.1 . 1 . . . . . . . . 5219 1 752 . 1 1 238 238 GLY C C 13 174.4 0.1 . 1 . . . . . . . . 5219 1 753 . 1 1 238 238 GLY CA C 13 45 0.1 . 1 . . . . . . . . 5219 1 754 . 1 1 238 238 GLY N N 15 108.8 0.1 . 1 . . . . . . . . 5219 1 755 . 1 1 238 238 GLY H H 1 3.03 0.02 . 1 . . . . . . . . 5219 1 756 . 1 1 239 239 ARG H H 1 6.63 0.02 . 1 . . . . . . . . 5219 1 757 . 1 1 239 239 ARG C C 13 175.3 0.1 . 1 . . . . . . . . 5219 1 758 . 1 1 239 239 ARG CA C 13 54.4 0.1 . 1 . . . . . . . . 5219 1 759 . 1 1 239 239 ARG CB C 13 28.3 0.1 . 1 . . . . . . . . 5219 1 760 . 1 1 239 239 ARG N N 15 116.7 0.1 . 1 . . . . . . . . 5219 1 761 . 1 1 240 240 LYS H H 1 7.25 0.02 . 1 . . . . . . . . 5219 1 762 . 1 1 240 240 LYS C C 13 177.9 0.1 . 1 . . . . . . . . 5219 1 763 . 1 1 240 240 LYS CA C 13 58.6 0.1 . 1 . . . . . . . . 5219 1 764 . 1 1 240 240 LYS CB C 13 32.1 0.1 . 1 . . . . . . . . 5219 1 765 . 1 1 240 240 LYS N N 15 118.2 0.1 . 1 . . . . . . . . 5219 1 766 . 1 1 241 241 GLY H H 1 9.22 0.02 . 1 . . . . . . . . 5219 1 767 . 1 1 241 241 GLY C C 13 173.3 0.1 . 1 . . . . . . . . 5219 1 768 . 1 1 241 241 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5219 1 769 . 1 1 241 241 GLY N N 15 115.2 0.1 . 1 . . . . . . . . 5219 1 770 . 1 1 242 242 GLU H H 1 8.18 0.02 . 1 . . . . . . . . 5219 1 771 . 1 1 242 242 GLU CA C 13 53.4 0.1 . 1 . . . . . . . . 5219 1 772 . 1 1 242 242 GLU CB C 13 32.1 0.1 . 1 . . . . . . . . 5219 1 773 . 1 1 242 242 GLU N N 15 121.7 0.1 . 1 . . . . . . . . 5219 1 774 . 1 1 243 243 PRO C C 13 177.8 0.1 . 1 . . . . . . . . 5219 1 775 . 1 1 243 243 PRO CA C 13 62.8 0.1 . 1 . . . . . . . . 5219 1 776 . 1 1 243 243 PRO CB C 13 31.1 0.1 . 1 . . . . . . . . 5219 1 777 . 1 1 244 244 CYS H H 1 8.46 0.02 . 1 . . . . . . . . 5219 1 778 . 1 1 244 244 CYS C C 13 178.5 0.1 . 1 . . . . . . . . 5219 1 779 . 1 1 244 244 CYS CA C 13 59.5 0.1 . 1 . . . . . . . . 5219 1 780 . 1 1 244 244 CYS CB C 13 31.1 0.1 . 1 . . . . . . . . 5219 1 781 . 1 1 244 244 CYS N N 15 128 0.1 . 1 . . . . . . . . 5219 1 782 . 1 1 245 245 ARG H H 1 9.82 0.02 . 1 . . . . . . . . 5219 1 783 . 1 1 245 245 ARG C C 13 176.6 0.1 . 1 . . . . . . . . 5219 1 784 . 1 1 245 245 ARG CA C 13 58.1 0.1 . 1 . . . . . . . . 5219 1 785 . 1 1 245 245 ARG CB C 13 29.3 0.1 . 1 . . . . . . . . 5219 1 786 . 1 1 245 245 ARG N N 15 130.1 0.1 . 1 . . . . . . . . 5219 1 787 . 1 1 246 246 VAL H H 1 9.75 0.02 . 1 . . . . . . . . 5219 1 788 . 1 1 246 246 VAL C C 13 177.6 0.1 . 1 . . . . . . . . 5219 1 789 . 1 1 246 246 VAL CA C 13 64.7 0.1 . 1 . . . . . . . . 5219 1 790 . 1 1 246 246 VAL CB C 13 32.1 0.1 . 1 . . . . . . . . 5219 1 791 . 1 1 246 246 VAL N N 15 122.5 0.1 . 1 . . . . . . . . 5219 1 792 . 1 1 247 247 CYS H H 1 8.6 0.02 . 1 . . . . . . . . 5219 1 793 . 1 1 247 247 CYS C C 13 177.2 0.1 . 1 . . . . . . . . 5219 1 794 . 1 1 247 247 CYS CA C 13 58.6 0.1 . 1 . . . . . . . . 5219 1 795 . 1 1 247 247 CYS CB C 13 33 0.1 . 1 . . . . . . . . 5219 1 796 . 1 1 247 247 CYS N N 15 118.2 0.1 . 1 . . . . . . . . 5219 1 797 . 1 1 248 248 GLY H H 1 7.86 0.02 . 1 . . . . . . . . 5219 1 798 . 1 1 248 248 GLY C C 13 173 0.1 . 1 . . . . . . . . 5219 1 799 . 1 1 248 248 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 5219 1 800 . 1 1 248 248 GLY N N 15 113 0.1 . 1 . . . . . . . . 5219 1 801 . 1 1 249 249 THR H H 1 9.01 0.02 . 1 . . . . . . . . 5219 1 802 . 1 1 249 249 THR CA C 13 62.3 0.1 . 1 . . . . . . . . 5219 1 803 . 1 1 249 249 THR CB C 13 67.7 0.1 . 1 . . . . . . . . 5219 1 804 . 1 1 249 249 THR N N 15 124.9 0.1 . 1 . . . . . . . . 5219 1 805 . 1 1 250 250 PRO C C 13 178.2 0.1 . 1 . . . . . . . . 5219 1 806 . 1 1 250 250 PRO CA C 13 63 0.1 . 1 . . . . . . . . 5219 1 807 . 1 1 250 250 PRO CB C 13 30.7 0.1 . 1 . . . . . . . . 5219 1 808 . 1 1 251 251 ILE H H 1 9.03 0.02 . 1 . . . . . . . . 5219 1 809 . 1 1 251 251 ILE C C 13 174.8 0.1 . 1 . . . . . . . . 5219 1 810 . 1 1 251 251 ILE CA C 13 59.5 0.1 . 1 . . . . . . . . 5219 1 811 . 1 1 251 251 ILE CB C 13 34.4 0.1 . 1 . . . . . . . . 5219 1 812 . 1 1 251 251 ILE N N 15 128.7 0.1 . 1 . . . . . . . . 5219 1 813 . 1 1 252 252 VAL H H 1 8.57 0.02 . 1 . . . . . . . . 5219 1 814 . 1 1 252 252 VAL C C 13 173.3 0.1 . 1 . . . . . . . . 5219 1 815 . 1 1 252 252 VAL CA C 13 61.2 0.1 . 1 . . . . . . . . 5219 1 816 . 1 1 252 252 VAL CB C 13 32.5 0.1 . 1 . . . . . . . . 5219 1 817 . 1 1 252 252 VAL N N 15 129.9 0.1 . 1 . . . . . . . . 5219 1 818 . 1 1 253 253 ALA H H 1 8.28 0.02 . 1 . . . . . . . . 5219 1 819 . 1 1 253 253 ALA C C 13 176.7 0.1 . 1 . . . . . . . . 5219 1 820 . 1 1 253 253 ALA CA C 13 49.2 0.1 . 1 . . . . . . . . 5219 1 821 . 1 1 253 253 ALA CB C 13 22.2 0.1 . 1 . . . . . . . . 5219 1 822 . 1 1 253 253 ALA N N 15 124.3 0.1 . 1 . . . . . . . . 5219 1 823 . 1 1 254 254 THR H H 1 8.7 0.02 . 1 . . . . . . . . 5219 1 824 . 1 1 254 254 THR C C 13 173.3 0.1 . 1 . . . . . . . . 5219 1 825 . 1 1 254 254 THR CA C 13 57.9 0.1 . 1 . . . . . . . . 5219 1 826 . 1 1 254 254 THR CB C 13 69.1 0.1 . 1 . . . . . . . . 5219 1 827 . 1 1 254 254 THR N N 15 117 0.1 . 1 . . . . . . . . 5219 1 828 . 1 1 255 255 LYS H H 1 8.42 0.02 . 1 . . . . . . . . 5219 1 829 . 1 1 255 255 LYS C C 13 174.7 0.1 . 1 . . . . . . . . 5219 1 830 . 1 1 255 255 LYS CA C 13 55.3 0.1 . 1 . . . . . . . . 5219 1 831 . 1 1 255 255 LYS CB C 13 35.8 0.1 . 1 . . . . . . . . 5219 1 832 . 1 1 255 255 LYS N N 15 122.8 0.1 . 1 . . . . . . . . 5219 1 833 . 1 1 256 256 HIS H H 1 8.63 0.02 . 1 . . . . . . . . 5219 1 834 . 1 1 256 256 HIS CA C 13 55.1 0.1 . 1 . . . . . . . . 5219 1 835 . 1 1 256 256 HIS CB C 13 33 0.1 . 1 . . . . . . . . 5219 1 836 . 1 1 256 256 HIS N N 15 118.2 0.1 . 1 . . . . . . . . 5219 1 837 . 1 1 258 258 GLN C C 13 175.1 0.1 . 1 . . . . . . . . 5219 1 838 . 1 1 258 258 GLN CA C 13 57 0.1 . 1 . . . . . . . . 5219 1 839 . 1 1 258 258 GLN CB C 13 26.5 0.1 . 1 . . . . . . . . 5219 1 840 . 1 1 259 259 ARG H H 1 7.94 0.02 . 1 . . . . . . . . 5219 1 841 . 1 1 259 259 ARG C C 13 175.9 0.1 . 1 . . . . . . . . 5219 1 842 . 1 1 259 259 ARG CA C 13 52.7 0.1 . 1 . . . . . . . . 5219 1 843 . 1 1 259 259 ARG CB C 13 29.7 0.1 . 1 . . . . . . . . 5219 1 844 . 1 1 259 259 ARG N N 15 118.9 0.1 . 1 . . . . . . . . 5219 1 845 . 1 1 260 260 ALA H H 1 9.07 0.02 . 1 . . . . . . . . 5219 1 846 . 1 1 260 260 ALA C C 13 177.5 0.1 . 1 . . . . . . . . 5219 1 847 . 1 1 260 260 ALA CA C 13 63 0.1 . 1 . . . . . . . . 5219 1 848 . 1 1 260 260 ALA CB C 13 19.4 0.1 . 1 . . . . . . . . 5219 1 849 . 1 1 260 260 ALA N N 15 124.8 0.1 . 1 . . . . . . . . 5219 1 850 . 1 1 261 261 THR H H 1 8.29 0.02 . 1 . . . . . . . . 5219 1 851 . 1 1 261 261 THR C C 13 171.1 0.1 . 1 . . . . . . . . 5219 1 852 . 1 1 261 261 THR CA C 13 61.2 0.1 . 1 . . . . . . . . 5219 1 853 . 1 1 261 261 THR CB C 13 70 0.1 . 1 . . . . . . . . 5219 1 854 . 1 1 261 261 THR N N 15 119.4 0.1 . 1 . . . . . . . . 5219 1 855 . 1 1 262 262 PHE H H 1 8.28 0.02 . 1 . . . . . . . . 5219 1 856 . 1 1 262 262 PHE C C 13 174 0.1 . 1 . . . . . . . . 5219 1 857 . 1 1 262 262 PHE CA C 13 55.1 0.1 . 1 . . . . . . . . 5219 1 858 . 1 1 262 262 PHE CB C 13 43.3 0.1 . 1 . . . . . . . . 5219 1 859 . 1 1 262 262 PHE N N 15 124.3 0.1 . 1 . . . . . . . . 5219 1 860 . 1 1 263 263 TYR H H 1 9.01 0.02 . 1 . . . . . . . . 5219 1 861 . 1 1 263 263 TYR C C 13 170.9 0.1 . 1 . . . . . . . . 5219 1 862 . 1 1 263 263 TYR CA C 13 56.2 0.1 . 1 . . . . . . . . 5219 1 863 . 1 1 263 263 TYR CB C 13 40 0.1 . 1 . . . . . . . . 5219 1 864 . 1 1 263 263 TYR N N 15 117.5 0.1 . 1 . . . . . . . . 5219 1 865 . 1 1 264 264 CYS H H 1 9.42 0.02 . 1 . . . . . . . . 5219 1 866 . 1 1 264 264 CYS C C 13 176.4 0.1 . 1 . . . . . . . . 5219 1 867 . 1 1 264 264 CYS CA C 13 56.2 0.1 . 1 . . . . . . . . 5219 1 868 . 1 1 264 264 CYS CB C 13 31.1 0.1 . 1 . . . . . . . . 5219 1 869 . 1 1 264 264 CYS N N 15 122.1 0.1 . 1 . . . . . . . . 5219 1 870 . 1 1 265 265 ARG H H 1 8.91 0.02 . 1 . . . . . . . . 5219 1 871 . 1 1 265 265 ARG C C 13 175.5 0.1 . 1 . . . . . . . . 5219 1 872 . 1 1 265 265 ARG CA C 13 56.7 0.1 . 1 . . . . . . . . 5219 1 873 . 1 1 265 265 ARG CB C 13 30 0.1 . 1 . . . . . . . . 5219 1 874 . 1 1 265 265 ARG N N 15 125.9 0.1 . 1 . . . . . . . . 5219 1 875 . 1 1 266 266 GLN H H 1 9.14 0.02 . 1 . . . . . . . . 5219 1 876 . 1 1 266 266 GLN C C 13 177.7 0.1 . 1 . . . . . . . . 5219 1 877 . 1 1 266 266 GLN CA C 13 56.9 0.1 . 1 . . . . . . . . 5219 1 878 . 1 1 266 266 GLN CB C 13 30.7 0.1 . 1 . . . . . . . . 5219 1 879 . 1 1 266 266 GLN N N 15 124.4 0.1 . 1 . . . . . . . . 5219 1 880 . 1 1 267 267 CYS H H 1 9.62 0.02 . 1 . . . . . . . . 5219 1 881 . 1 1 267 267 CYS C C 13 175.7 0.1 . 1 . . . . . . . . 5219 1 882 . 1 1 267 267 CYS CA C 13 63.5 0.1 . 1 . . . . . . . . 5219 1 883 . 1 1 267 267 CYS CB C 13 31.1 0.1 . 1 . . . . . . . . 5219 1 884 . 1 1 267 267 CYS N N 15 121.2 0.1 . 1 . . . . . . . . 5219 1 885 . 1 1 268 268 GLN H H 1 7.49 0.02 . 1 . . . . . . . . 5219 1 886 . 1 1 268 268 GLN C C 13 173.1 0.1 . 1 . . . . . . . . 5219 1 887 . 1 1 268 268 GLN CA C 13 55.1 0.1 . 1 . . . . . . . . 5219 1 888 . 1 1 268 268 GLN CB C 13 31.6 0.1 . 1 . . . . . . . . 5219 1 889 . 1 1 268 268 GLN N N 15 115 0.1 . 1 . . . . . . . . 5219 1 890 . 1 1 269 269 LYS H H 1 7.73 0.02 . 1 . . . . . . . . 5219 1 891 . 1 1 269 269 LYS CA C 13 56.5 0.1 . 1 . . . . . . . . 5219 1 892 . 1 1 269 269 LYS CB C 13 29.3 0.1 . 1 . . . . . . . . 5219 1 893 . 1 1 269 269 LYS N N 15 125.8 0.1 . 1 . . . . . . . . 5219 1 stop_ save_