data_27859 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27859 _Entry.Title ; hCA II S50C C206S labelled with Lu-DOTA-M8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-03-29 _Entry.Accession_date 2019-03-29 _Entry.Last_release_date 2019-03-29 _Entry.Original_release_date 2019-03-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone assignment of uniformly 2H 13C 15N labelled hCA II S50C C206S labelled with Lu-DOTA-M8.' _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.ORCID _Entry_author.Entry_ID 1 Kaspar Zimmermann . . . . 27859 2 Daniel Joss . . . . 27859 3 Thomas Muentener . . . . 27859 4 Marc Schaefer . . . . 27859 5 Elisa Nogueira . . . . 27859 6 Livia Knorr . . . . 27859 7 Fabien Monnard . . . . 27859 8 Daniel Haeussinger . . . . 27859 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Basel' . 27859 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27859 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 682 27859 '15N chemical shifts' 220 27859 '1H chemical shifts' 220 27859 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-06-12 2019-03-29 update BMRB 'update entry citation' 27859 1 . . 2019-04-03 2019-03-29 original author 'original release' 27859 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27859 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1039/c8sc05683h _Citation.PubMed_ID 31183057 _Citation.Full_citation . _Citation.Title ; Localization of ligands within human carbonic anhydrase II using ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Sci.' _Citation.Journal_name_full 'Chemical science' _Citation.Journal_volume 10 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-6520 _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 5064 _Citation.Page_last 5072 _Citation.Year 2019 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kaspar Zimmermann . . . . 27859 1 2 Daniel Joss . . . . 27859 1 3 Thomas Muentener . . . . 27859 1 4 Marc Schaefer . . . . 27859 1 5 Elisa Nogueira . . . . 27859 1 6 Livia Knorr . . . . 27859 1 7 Fabien Monnard . . . . 27859 1 8 Daniel Haeussinger . . . . 27859 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27859 _Assembly.ID 1 _Assembly.Name 'human carbonic anhydrase II S50C C206S' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Lu-DOTA-M8 attached to the protein' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'human carbonic anhydrase II S50C C206S' 1 $human_carbonic_anhydrase_II_S50C_C206S A . yes native no no . . . 27859 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_carbonic_anhydrase_II_S50C_C206S _Entity.Sf_category entity _Entity.Sf_framecode human_carbonic_anhydrase_II_S50C_C206S _Entity.Entry_ID 27859 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name human_carbonic_anhydrase_II_S50C_C206S _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 ; MAHHWGYGKHNGPEHWHKDF PIAKGERQSPVDIDTHTAKY DPSLKPLSVCYDQATSLRIL NNGHAFNVEFDDSQDKAVLK GGPLDGTYRLIQFHFHWGSL DGQGSEHTVDKKKYAAELHL VHWNTMKYGDFGKAVQQPDG LAVLGIFLKVGSAKPGLQKV VDVLDSIKTKGKSADFTNFD PRGLLPESLDYWTYPGSLTT PPLLESVTWIVLKEPISVSS EQVLKFRKLNFNGEGEPEEL MVDNWRPAQPLKNRQIKASF K ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 261 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'S50C C206S' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 29372.2535 _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 . MET . 27859 1 2 . ALA . 27859 1 3 . HIS . 27859 1 4 . HIS . 27859 1 5 . TRP . 27859 1 6 . GLY . 27859 1 7 . TYR . 27859 1 8 . GLY . 27859 1 9 . LYS . 27859 1 10 . HIS . 27859 1 11 . ASN . 27859 1 12 . GLY . 27859 1 13 . PRO . 27859 1 14 . GLU . 27859 1 15 . HIS . 27859 1 16 . TRP . 27859 1 17 . HIS . 27859 1 18 . LYS . 27859 1 19 . ASP . 27859 1 20 . PHE . 27859 1 21 . PRO . 27859 1 22 . ILE . 27859 1 23 . ALA . 27859 1 24 . LYS . 27859 1 25 . GLY . 27859 1 26 . GLU . 27859 1 27 . ARG . 27859 1 28 . GLN . 27859 1 29 . SER . 27859 1 30 . PRO . 27859 1 31 . VAL . 27859 1 32 . ASP . 27859 1 33 . ILE . 27859 1 34 . ASP . 27859 1 35 . THR . 27859 1 36 . HIS . 27859 1 37 . THR . 27859 1 38 . ALA . 27859 1 39 . LYS . 27859 1 40 . TYR . 27859 1 41 . ASP . 27859 1 42 . PRO . 27859 1 43 . SER . 27859 1 44 . LEU . 27859 1 45 . LYS . 27859 1 46 . PRO . 27859 1 47 . LEU . 27859 1 48 . SER . 27859 1 49 . VAL . 27859 1 50 . CYS . 27859 1 51 . TYR . 27859 1 52 . ASP . 27859 1 53 . GLN . 27859 1 54 . ALA . 27859 1 55 . THR . 27859 1 56 . SER . 27859 1 57 . LEU . 27859 1 58 . ARG . 27859 1 59 . ILE . 27859 1 60 . LEU . 27859 1 61 . ASN . 27859 1 62 . ASN . 27859 1 63 . GLY . 27859 1 64 . HIS . 27859 1 65 . ALA . 27859 1 66 . PHE . 27859 1 67 . ASN . 27859 1 68 . VAL . 27859 1 69 . GLU . 27859 1 70 . PHE . 27859 1 71 . ASP . 27859 1 72 . ASP . 27859 1 73 . SER . 27859 1 74 . GLN . 27859 1 75 . ASP . 27859 1 76 . LYS . 27859 1 77 . ALA . 27859 1 78 . VAL . 27859 1 79 . LEU . 27859 1 80 . LYS . 27859 1 81 . GLY . 27859 1 82 . GLY . 27859 1 83 . PRO . 27859 1 84 . LEU . 27859 1 85 . ASP . 27859 1 86 . GLY . 27859 1 87 . THR . 27859 1 88 . TYR . 27859 1 89 . ARG . 27859 1 90 . LEU . 27859 1 91 . ILE . 27859 1 92 . GLN . 27859 1 93 . PHE . 27859 1 94 . HIS . 27859 1 95 . PHE . 27859 1 96 . HIS . 27859 1 97 . TRP . 27859 1 98 . GLY . 27859 1 99 . SER . 27859 1 100 . LEU . 27859 1 101 . ASP . 27859 1 102 . GLY . 27859 1 103 . GLN . 27859 1 104 . GLY . 27859 1 105 . SER . 27859 1 106 . GLU . 27859 1 107 . HIS . 27859 1 108 . THR . 27859 1 109 . VAL . 27859 1 110 . ASP . 27859 1 111 . LYS . 27859 1 112 . LYS . 27859 1 113 . LYS . 27859 1 114 . TYR . 27859 1 115 . ALA . 27859 1 116 . ALA . 27859 1 117 . GLU . 27859 1 118 . LEU . 27859 1 119 . HIS . 27859 1 120 . LEU . 27859 1 121 . VAL . 27859 1 122 . HIS . 27859 1 123 . TRP . 27859 1 124 . ASN . 27859 1 125 . THR . 27859 1 126 . MET . 27859 1 127 . LYS . 27859 1 128 . TYR . 27859 1 129 . GLY . 27859 1 130 . ASP . 27859 1 131 . PHE . 27859 1 132 . GLY . 27859 1 133 . LYS . 27859 1 134 . ALA . 27859 1 135 . VAL . 27859 1 136 . GLN . 27859 1 137 . GLN . 27859 1 138 . PRO . 27859 1 139 . ASP . 27859 1 140 . GLY . 27859 1 141 . LEU . 27859 1 142 . ALA . 27859 1 143 . VAL . 27859 1 144 . LEU . 27859 1 145 . GLY . 27859 1 146 . ILE . 27859 1 147 . PHE . 27859 1 148 . LEU . 27859 1 149 . LYS . 27859 1 150 . VAL . 27859 1 151 . GLY . 27859 1 152 . SER . 27859 1 153 . ALA . 27859 1 154 . LYS . 27859 1 155 . PRO . 27859 1 156 . GLY . 27859 1 157 . LEU . 27859 1 158 . GLN . 27859 1 159 . LYS . 27859 1 160 . VAL . 27859 1 161 . VAL . 27859 1 162 . ASP . 27859 1 163 . VAL . 27859 1 164 . LEU . 27859 1 165 . ASP . 27859 1 166 . SER . 27859 1 167 . ILE . 27859 1 168 . LYS . 27859 1 169 . THR . 27859 1 170 . LYS . 27859 1 171 . GLY . 27859 1 172 . LYS . 27859 1 173 . SER . 27859 1 174 . ALA . 27859 1 175 . ASP . 27859 1 176 . PHE . 27859 1 177 . THR . 27859 1 178 . ASN . 27859 1 179 . PHE . 27859 1 180 . ASP . 27859 1 181 . PRO . 27859 1 182 . ARG . 27859 1 183 . GLY . 27859 1 184 . LEU . 27859 1 185 . LEU . 27859 1 186 . PRO . 27859 1 187 . GLU . 27859 1 188 . SER . 27859 1 189 . LEU . 27859 1 190 . ASP . 27859 1 191 . TYR . 27859 1 192 . TRP . 27859 1 193 . THR . 27859 1 194 . TYR . 27859 1 195 . PRO . 27859 1 196 . GLY . 27859 1 197 . SER . 27859 1 198 . LEU . 27859 1 199 . THR . 27859 1 200 . THR . 27859 1 201 . PRO . 27859 1 202 . PRO . 27859 1 203 . LEU . 27859 1 204 . LEU . 27859 1 205 . GLU . 27859 1 206 . SER . 27859 1 207 . VAL . 27859 1 208 . THR . 27859 1 209 . TRP . 27859 1 210 . ILE . 27859 1 211 . VAL . 27859 1 212 . LEU . 27859 1 213 . LYS . 27859 1 214 . GLU . 27859 1 215 . PRO . 27859 1 216 . ILE . 27859 1 217 . SER . 27859 1 218 . VAL . 27859 1 219 . SER . 27859 1 220 . SER . 27859 1 221 . GLU . 27859 1 222 . GLN . 27859 1 223 . VAL . 27859 1 224 . LEU . 27859 1 225 . LYS . 27859 1 226 . PHE . 27859 1 227 . ARG . 27859 1 228 . LYS . 27859 1 229 . LEU . 27859 1 230 . ASN . 27859 1 231 . PHE . 27859 1 232 . ASN . 27859 1 233 . GLY . 27859 1 234 . GLU . 27859 1 235 . GLY . 27859 1 236 . GLU . 27859 1 237 . PRO . 27859 1 238 . GLU . 27859 1 239 . GLU . 27859 1 240 . LEU . 27859 1 241 . MET . 27859 1 242 . VAL . 27859 1 243 . ASP . 27859 1 244 . ASN . 27859 1 245 . TRP . 27859 1 246 . ARG . 27859 1 247 . PRO . 27859 1 248 . ALA . 27859 1 249 . GLN . 27859 1 250 . PRO . 27859 1 251 . LEU . 27859 1 252 . LYS . 27859 1 253 . ASN . 27859 1 254 . ARG . 27859 1 255 . GLN . 27859 1 256 . ILE . 27859 1 257 . LYS . 27859 1 258 . ALA . 27859 1 259 . SER . 27859 1 260 . PHE . 27859 1 261 . LYS . 27859 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 27859 1 . ALA 2 2 27859 1 . HIS 3 3 27859 1 . HIS 4 4 27859 1 . TRP 5 5 27859 1 . GLY 6 6 27859 1 . TYR 7 7 27859 1 . GLY 8 8 27859 1 . LYS 9 9 27859 1 . HIS 10 10 27859 1 . ASN 11 11 27859 1 . GLY 12 12 27859 1 . PRO 13 13 27859 1 . GLU 14 14 27859 1 . HIS 15 15 27859 1 . TRP 16 16 27859 1 . HIS 17 17 27859 1 . LYS 18 18 27859 1 . ASP 19 19 27859 1 . PHE 20 20 27859 1 . PRO 21 21 27859 1 . ILE 22 22 27859 1 . ALA 23 23 27859 1 . LYS 24 24 27859 1 . GLY 25 25 27859 1 . GLU 26 26 27859 1 . ARG 27 27 27859 1 . GLN 28 28 27859 1 . SER 29 29 27859 1 . PRO 30 30 27859 1 . VAL 31 31 27859 1 . ASP 32 32 27859 1 . ILE 33 33 27859 1 . ASP 34 34 27859 1 . THR 35 35 27859 1 . HIS 36 36 27859 1 . THR 37 37 27859 1 . ALA 38 38 27859 1 . LYS 39 39 27859 1 . TYR 40 40 27859 1 . ASP 41 41 27859 1 . PRO 42 42 27859 1 . SER 43 43 27859 1 . LEU 44 44 27859 1 . LYS 45 45 27859 1 . PRO 46 46 27859 1 . LEU 47 47 27859 1 . SER 48 48 27859 1 . VAL 49 49 27859 1 . CYS 50 50 27859 1 . TYR 51 51 27859 1 . ASP 52 52 27859 1 . GLN 53 53 27859 1 . ALA 54 54 27859 1 . THR 55 55 27859 1 . SER 56 56 27859 1 . LEU 57 57 27859 1 . ARG 58 58 27859 1 . ILE 59 59 27859 1 . LEU 60 60 27859 1 . ASN 61 61 27859 1 . ASN 62 62 27859 1 . GLY 63 63 27859 1 . HIS 64 64 27859 1 . ALA 65 65 27859 1 . PHE 66 66 27859 1 . ASN 67 67 27859 1 . VAL 68 68 27859 1 . GLU 69 69 27859 1 . PHE 70 70 27859 1 . ASP 71 71 27859 1 . ASP 72 72 27859 1 . SER 73 73 27859 1 . GLN 74 74 27859 1 . ASP 75 75 27859 1 . LYS 76 76 27859 1 . ALA 77 77 27859 1 . VAL 78 78 27859 1 . LEU 79 79 27859 1 . LYS 80 80 27859 1 . GLY 81 81 27859 1 . GLY 82 82 27859 1 . PRO 83 83 27859 1 . LEU 84 84 27859 1 . ASP 85 85 27859 1 . GLY 86 86 27859 1 . THR 87 87 27859 1 . TYR 88 88 27859 1 . ARG 89 89 27859 1 . LEU 90 90 27859 1 . ILE 91 91 27859 1 . GLN 92 92 27859 1 . PHE 93 93 27859 1 . HIS 94 94 27859 1 . PHE 95 95 27859 1 . HIS 96 96 27859 1 . TRP 97 97 27859 1 . GLY 98 98 27859 1 . SER 99 99 27859 1 . LEU 100 100 27859 1 . ASP 101 101 27859 1 . GLY 102 102 27859 1 . GLN 103 103 27859 1 . GLY 104 104 27859 1 . SER 105 105 27859 1 . GLU 106 106 27859 1 . HIS 107 107 27859 1 . THR 108 108 27859 1 . VAL 109 109 27859 1 . ASP 110 110 27859 1 . LYS 111 111 27859 1 . LYS 112 112 27859 1 . LYS 113 113 27859 1 . TYR 114 114 27859 1 . ALA 115 115 27859 1 . ALA 116 116 27859 1 . GLU 117 117 27859 1 . LEU 118 118 27859 1 . HIS 119 119 27859 1 . LEU 120 120 27859 1 . VAL 121 121 27859 1 . HIS 122 122 27859 1 . TRP 123 123 27859 1 . ASN 124 124 27859 1 . THR 125 125 27859 1 . MET 126 126 27859 1 . LYS 127 127 27859 1 . TYR 128 128 27859 1 . GLY 129 129 27859 1 . ASP 130 130 27859 1 . PHE 131 131 27859 1 . GLY 132 132 27859 1 . LYS 133 133 27859 1 . ALA 134 134 27859 1 . VAL 135 135 27859 1 . GLN 136 136 27859 1 . GLN 137 137 27859 1 . PRO 138 138 27859 1 . ASP 139 139 27859 1 . GLY 140 140 27859 1 . LEU 141 141 27859 1 . ALA 142 142 27859 1 . VAL 143 143 27859 1 . LEU 144 144 27859 1 . GLY 145 145 27859 1 . ILE 146 146 27859 1 . PHE 147 147 27859 1 . LEU 148 148 27859 1 . LYS 149 149 27859 1 . VAL 150 150 27859 1 . GLY 151 151 27859 1 . SER 152 152 27859 1 . ALA 153 153 27859 1 . LYS 154 154 27859 1 . PRO 155 155 27859 1 . GLY 156 156 27859 1 . LEU 157 157 27859 1 . GLN 158 158 27859 1 . LYS 159 159 27859 1 . VAL 160 160 27859 1 . VAL 161 161 27859 1 . ASP 162 162 27859 1 . VAL 163 163 27859 1 . LEU 164 164 27859 1 . ASP 165 165 27859 1 . SER 166 166 27859 1 . ILE 167 167 27859 1 . LYS 168 168 27859 1 . THR 169 169 27859 1 . LYS 170 170 27859 1 . GLY 171 171 27859 1 . LYS 172 172 27859 1 . SER 173 173 27859 1 . ALA 174 174 27859 1 . ASP 175 175 27859 1 . PHE 176 176 27859 1 . THR 177 177 27859 1 . ASN 178 178 27859 1 . PHE 179 179 27859 1 . ASP 180 180 27859 1 . PRO 181 181 27859 1 . ARG 182 182 27859 1 . GLY 183 183 27859 1 . LEU 184 184 27859 1 . LEU 185 185 27859 1 . PRO 186 186 27859 1 . GLU 187 187 27859 1 . SER 188 188 27859 1 . LEU 189 189 27859 1 . ASP 190 190 27859 1 . TYR 191 191 27859 1 . TRP 192 192 27859 1 . THR 193 193 27859 1 . TYR 194 194 27859 1 . PRO 195 195 27859 1 . GLY 196 196 27859 1 . SER 197 197 27859 1 . LEU 198 198 27859 1 . THR 199 199 27859 1 . THR 200 200 27859 1 . PRO 201 201 27859 1 . PRO 202 202 27859 1 . LEU 203 203 27859 1 . LEU 204 204 27859 1 . GLU 205 205 27859 1 . SER 206 206 27859 1 . VAL 207 207 27859 1 . THR 208 208 27859 1 . TRP 209 209 27859 1 . ILE 210 210 27859 1 . VAL 211 211 27859 1 . LEU 212 212 27859 1 . LYS 213 213 27859 1 . GLU 214 214 27859 1 . PRO 215 215 27859 1 . ILE 216 216 27859 1 . SER 217 217 27859 1 . VAL 218 218 27859 1 . SER 219 219 27859 1 . SER 220 220 27859 1 . GLU 221 221 27859 1 . GLN 222 222 27859 1 . VAL 223 223 27859 1 . LEU 224 224 27859 1 . LYS 225 225 27859 1 . PHE 226 226 27859 1 . ARG 227 227 27859 1 . LYS 228 228 27859 1 . LEU 229 229 27859 1 . ASN 230 230 27859 1 . PHE 231 231 27859 1 . ASN 232 232 27859 1 . GLY 233 233 27859 1 . GLU 234 234 27859 1 . GLY 235 235 27859 1 . GLU 236 236 27859 1 . PRO 237 237 27859 1 . GLU 238 238 27859 1 . GLU 239 239 27859 1 . LEU 240 240 27859 1 . MET 241 241 27859 1 . VAL 242 242 27859 1 . ASP 243 243 27859 1 . ASN 244 244 27859 1 . TRP 245 245 27859 1 . ARG 246 246 27859 1 . PRO 247 247 27859 1 . ALA 248 248 27859 1 . GLN 249 249 27859 1 . PRO 250 250 27859 1 . LEU 251 251 27859 1 . LYS 252 252 27859 1 . ASN 253 253 27859 1 . ARG 254 254 27859 1 . GLN 255 255 27859 1 . ILE 256 256 27859 1 . LYS 257 257 27859 1 . ALA 258 258 27859 1 . SER 259 259 27859 1 . PHE 260 260 27859 1 . LYS 261 261 27859 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27859 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $human_carbonic_anhydrase_II_S50C_C206S . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27859 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 27859 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $human_carbonic_anhydrase_II_S50C_C206S . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pACA plasmid' . . . 27859 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27859 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 'human carbonic anhydrase II S50C C206S' '[U-13C; U-15N; U-2H]' . . 1 $human_carbonic_anhydrase_II_S50C_C206S . . 0.5 . . mM . . . . 27859 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27859 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 27859 1 pressure 1 . atm 27859 1 temperature 298 . K 27859 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27859 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 27859 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27859 1 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 27859 _Software.ID 2 _Software.Type . _Software.Name CCPNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPNMR . . 27859 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27859 2 'data analysis' 27859 2 'peak picking' 27859 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27859 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600.13 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27859 _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 spectrometer_1 Bruker 'Avance III HD' . 600.13 . . . 27859 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 27859 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27859 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27859 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27859 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27859 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27859 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27859 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode Reference _Chem_shift_reference.Entry_ID 27859 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na carbons . . . . na 0 na direct 1.0 . . . . . 27859 1 H 1 water protons . . . . ppm 4.76 internal direct 1.0 . . . . . 27859 1 N 15 na nitrogen . . . . na 0 na direct 1.0 . . . . . 27859 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27859 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $Reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27859 1 2 '3D HNCO' . . . 27859 1 3 '3D HNCA' . . . 27859 1 4 '3D HN(CA)CO' . . . 27859 1 5 '3D HN(CO)CA' . . . 27859 1 6 '3D HNCACB' . . . 27859 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.Ambiguity_set_ID _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 21 21 PRO C C 13 175.7 . . . . . . . . 21 PRO C . 27859 1 2 . 1 1 21 21 PRO CA C 13 62.2 . . . . . . . . 21 PRO CA . 27859 1 3 . 1 1 21 21 PRO CB C 13 28 . . . . . . . . 21 PRO CB . 27859 1 4 . 1 1 22 22 ILE H H 1 7.92 . . . . . . . . 22 ILE H . 27859 1 5 . 1 1 22 22 ILE C C 13 171.7 . . . . . . . . 22 ILE C . 27859 1 6 . 1 1 22 22 ILE CA C 13 58 . . . . . . . . 22 ILE CA . 27859 1 7 . 1 1 22 22 ILE CB C 13 35.4 . . . . . . . . 22 ILE CB . 27859 1 8 . 1 1 22 22 ILE N N 15 121.1 . . . . . . . . 22 ILE N . 27859 1 9 . 1 1 23 23 ALA H H 1 8.55 . . . . . . . . 23 ALA H . 27859 1 10 . 1 1 23 23 ALA C C 13 176.8 . . . . . . . . 23 ALA C . 27859 1 11 . 1 1 23 23 ALA CA C 13 50.4 . . . . . . . . 23 ALA CA . 27859 1 12 . 1 1 23 23 ALA CB C 13 15.6 . . . . . . . . 23 ALA CB . 27859 1 13 . 1 1 23 23 ALA N N 15 123.3 . . . . . . . . 23 ALA N . 27859 1 14 . 1 1 24 24 LYS H H 1 7.07 . . . . . . . . 24 LYS H . 27859 1 15 . 1 1 24 24 LYS C C 13 173.6 . . . . . . . . 24 LYS C . 27859 1 16 . 1 1 24 24 LYS CA C 13 52 . . . . . . . . 24 LYS CA . 27859 1 17 . 1 1 24 24 LYS CB C 13 27.8 . . . . . . . . 24 LYS CB . 27859 1 18 . 1 1 24 24 LYS N N 15 115.3 . . . . . . . . 24 LYS N . 27859 1 19 . 1 1 25 25 GLY H H 1 8.17 . . . . . . . . 25 GLY H . 27859 1 20 . 1 1 25 25 GLY C C 13 171.5 . . . . . . . . 25 GLY C . 27859 1 21 . 1 1 25 25 GLY CA C 13 41.9 . . . . . . . . 25 GLY CA . 27859 1 22 . 1 1 25 25 GLY N N 15 109.3 . . . . . . . . 25 GLY N . 27859 1 23 . 1 1 26 26 GLU H H 1 9.24 . . . . . . . . 26 GLU H . 27859 1 24 . 1 1 26 26 GLU C C 13 173.6 . . . . . . . . 26 GLU C . 27859 1 25 . 1 1 26 26 GLU CA C 13 53.7 . . . . . . . . 26 GLU CA . 27859 1 26 . 1 1 26 26 GLU CB C 13 27.3 . . . . . . . . 26 GLU CB . 27859 1 27 . 1 1 26 26 GLU N N 15 118.2 . . . . . . . . 26 GLU N . 27859 1 28 . 1 1 27 27 ARG H H 1 8.71 . . . . . . . . 27 ARG H . 27859 1 29 . 1 1 27 27 ARG C C 13 172.6 . . . . . . . . 27 ARG C . 27859 1 30 . 1 1 27 27 ARG CA C 13 50.2 . . . . . . . . 27 ARG CA . 27859 1 31 . 1 1 27 27 ARG CB C 13 27.9 . . . . . . . . 27 ARG CB . 27859 1 32 . 1 1 27 27 ARG N N 15 122 . . . . . . . . 27 ARG N . 27859 1 33 . 1 1 28 28 GLN H H 1 7.58 . . . . . . . . 28 GLN H . 27859 1 34 . 1 1 28 28 GLN C C 13 175.2 . . . . . . . . 28 GLN C . 27859 1 35 . 1 1 28 28 GLN CA C 13 52.2 . . . . . . . . 28 GLN CA . 27859 1 36 . 1 1 28 28 GLN CB C 13 28.6 . . . . . . . . 28 GLN CB . 27859 1 37 . 1 1 28 28 GLN N N 15 115.9 . . . . . . . . 28 GLN N . 27859 1 38 . 1 1 29 29 SER H H 1 7.94 . . . . . . . . 29 SER H . 27859 1 39 . 1 1 29 29 SER C C 13 181.8 . . . . . . . . 29 SER C . 27859 1 40 . 1 1 29 29 SER CA C 13 54.2 . . . . . . . . 29 SER CA . 27859 1 41 . 1 1 29 29 SER CB C 13 60.5 . . . . . . . . 29 SER CB . 27859 1 42 . 1 1 29 29 SER N N 15 118.3 . . . . . . . . 29 SER N . 27859 1 43 . 1 1 30 30 PRO C C 13 170.2 . . . . . . . . 30 PRO C . 27859 1 44 . 1 1 30 30 PRO CA C 13 59 . . . . . . . . 30 PRO CA . 27859 1 45 . 1 1 30 30 PRO CB C 13 29.7 . . . . . . . . 30 PRO CB . 27859 1 46 . 1 1 31 31 VAL H H 1 6.14 . . . . . . . . 31 VAL H . 27859 1 47 . 1 1 31 31 VAL C C 13 171 . . . . . . . . 31 VAL C . 27859 1 48 . 1 1 31 31 VAL CA C 13 56 . . . . . . . . 31 VAL CA . 27859 1 49 . 1 1 31 31 VAL CB C 13 32.2 . . . . . . . . 31 VAL CB . 27859 1 50 . 1 1 31 31 VAL N N 15 107.5 . . . . . . . . 31 VAL N . 27859 1 51 . 1 1 32 32 ASP H H 1 8.19 . . . . . . . . 32 ASP H . 27859 1 52 . 1 1 32 32 ASP C C 13 172 . . . . . . . . 32 ASP C . 27859 1 53 . 1 1 32 32 ASP CA C 13 50.2 . . . . . . . . 32 ASP CA . 27859 1 54 . 1 1 32 32 ASP CB C 13 39.1 . . . . . . . . 32 ASP CB . 27859 1 55 . 1 1 32 32 ASP N N 15 118.7 . . . . . . . . 32 ASP N . 27859 1 56 . 1 1 33 33 ILE H H 1 8.59 . . . . . . . . 33 ILE H . 27859 1 57 . 1 1 33 33 ILE C C 13 170.2 . . . . . . . . 33 ILE C . 27859 1 58 . 1 1 33 33 ILE CA C 13 58 . . . . . . . . 33 ILE CA . 27859 1 59 . 1 1 33 33 ILE CB C 13 33.6 . . . . . . . . 33 ILE CB . 27859 1 60 . 1 1 33 33 ILE N N 15 129 . . . . . . . . 33 ILE N . 27859 1 61 . 1 1 34 34 ASP H H 1 7.4 . . . . . . . . 34 ASP H . 27859 1 62 . 1 1 34 34 ASP C C 13 175.4 . . . . . . . . 34 ASP C . 27859 1 63 . 1 1 34 34 ASP CA C 13 49.2 . . . . . . . . 34 ASP CA . 27859 1 64 . 1 1 34 34 ASP CB C 13 38 . . . . . . . . 34 ASP CB . 27859 1 65 . 1 1 34 34 ASP N N 15 128.7 . . . . . . . . 34 ASP N . 27859 1 66 . 1 1 35 35 THR H H 1 10.15 . . . . . . . . 35 THR H . 27859 1 67 . 1 1 35 35 THR C C 13 174.4 . . . . . . . . 35 THR C . 27859 1 68 . 1 1 35 35 THR CA C 13 62.2 . . . . . . . . 35 THR CA . 27859 1 69 . 1 1 35 35 THR CB C 13 65.8 . . . . . . . . 35 THR CB . 27859 1 70 . 1 1 35 35 THR N N 15 122.7 . . . . . . . . 35 THR N . 27859 1 71 . 1 1 36 36 HIS H H 1 8.67 . . . . . . . . 36 HIS H . 27859 1 72 . 1 1 36 36 HIS C C 13 173.7 . . . . . . . . 36 HIS C . 27859 1 73 . 1 1 36 36 HIS CA C 13 54.7 . . . . . . . . 36 HIS CA . 27859 1 74 . 1 1 36 36 HIS CB C 13 25.5 . . . . . . . . 36 HIS CB . 27859 1 75 . 1 1 36 36 HIS N N 15 119.3 . . . . . . . . 36 HIS N . 27859 1 76 . 1 1 37 37 THR H H 1 7.51 . . . . . . . . 37 THR H . 27859 1 77 . 1 1 37 37 THR C C 13 172.5 . . . . . . . . 37 THR C . 27859 1 78 . 1 1 37 37 THR CA C 13 58.7 . . . . . . . . 37 THR CA . 27859 1 79 . 1 1 37 37 THR CB C 13 66.6 . . . . . . . . 37 THR CB . 27859 1 80 . 1 1 37 37 THR N N 15 109.2 . . . . . . . . 37 THR N . 27859 1 81 . 1 1 38 38 ALA H H 1 7.34 . . . . . . . . 38 ALA H . 27859 1 82 . 1 1 38 38 ALA C C 13 173.7 . . . . . . . . 38 ALA C . 27859 1 83 . 1 1 38 38 ALA CA C 13 49.3 . . . . . . . . 38 ALA CA . 27859 1 84 . 1 1 38 38 ALA CB C 13 14.4 . . . . . . . . 38 ALA CB . 27859 1 85 . 1 1 38 38 ALA N N 15 128 . . . . . . . . 38 ALA N . 27859 1 86 . 1 1 39 39 LYS H H 1 7.98 . . . . . . . . 39 LYS H . 27859 1 87 . 1 1 39 39 LYS C C 13 174 . . . . . . . . 39 LYS C . 27859 1 88 . 1 1 39 39 LYS CA C 13 51.8 . . . . . . . . 39 LYS CA . 27859 1 89 . 1 1 39 39 LYS CB C 13 30.8 . . . . . . . . 39 LYS CB . 27859 1 90 . 1 1 39 39 LYS N N 15 123.1 . . . . . . . . 39 LYS N . 27859 1 91 . 1 1 40 40 TYR H H 1 8.57 . . . . . . . . 40 TYR H . 27859 1 92 . 1 1 40 40 TYR C C 13 172.2 . . . . . . . . 40 TYR C . 27859 1 93 . 1 1 40 40 TYR CA C 13 53.9 . . . . . . . . 40 TYR CA . 27859 1 94 . 1 1 40 40 TYR CB C 13 34.3 . . . . . . . . 40 TYR CB . 27859 1 95 . 1 1 40 40 TYR N N 15 127.1 . . . . . . . . 40 TYR N . 27859 1 96 . 1 1 41 41 ASP H H 1 7.61 . . . . . . . . 41 ASP H . 27859 1 97 . 1 1 41 41 ASP C C 13 171.3 . . . . . . . . 41 ASP C . 27859 1 98 . 1 1 41 41 ASP CA C 13 46 . . . . . . . . 41 ASP CA . 27859 1 99 . 1 1 41 41 ASP CB C 13 39.3 . . . . . . . . 41 ASP CB . 27859 1 100 . 1 1 41 41 ASP N N 15 129.4 . . . . . . . . 41 ASP N . 27859 1 101 . 1 1 42 42 PRO C C 13 173.9 . . . . . . . . 42 PRO C . 27859 1 102 . 1 1 42 42 PRO CA C 13 59.7 . . . . . . . . 42 PRO CA . 27859 1 103 . 1 1 42 42 PRO CB C 13 28.2 . . . . . . . . 42 PRO CB . 27859 1 104 . 1 1 43 43 SER H H 1 8.35 . . . . . . . . 43 SER H . 27859 1 105 . 1 1 43 43 SER C C 13 172.7 . . . . . . . . 43 SER C . 27859 1 106 . 1 1 43 43 SER CA C 13 56.2 . . . . . . . . 43 SER CA . 27859 1 107 . 1 1 43 43 SER CB C 13 60.7 . . . . . . . . 43 SER CB . 27859 1 108 . 1 1 43 43 SER N N 15 115.6 . . . . . . . . 43 SER N . 27859 1 109 . 1 1 44 44 LEU H H 1 6.86 . . . . . . . . 44 LEU H . 27859 1 110 . 1 1 44 44 LEU C C 13 174.6 . . . . . . . . 44 LEU C . 27859 1 111 . 1 1 44 44 LEU CA C 13 52.1 . . . . . . . . 44 LEU CA . 27859 1 112 . 1 1 44 44 LEU CB C 13 37.2 . . . . . . . . 44 LEU CB . 27859 1 113 . 1 1 44 44 LEU N N 15 123.5 . . . . . . . . 44 LEU N . 27859 1 114 . 1 1 45 45 LYS H H 1 7.42 . . . . . . . . 45 LYS H . 27859 1 115 . 1 1 45 45 LYS C C 13 172 . . . . . . . . 45 LYS C . 27859 1 116 . 1 1 45 45 LYS CA C 13 51.2 . . . . . . . . 45 LYS CA . 27859 1 117 . 1 1 45 45 LYS CB C 13 28 . . . . . . . . 45 LYS CB . 27859 1 118 . 1 1 45 45 LYS N N 15 123.6 . . . . . . . . 45 LYS N . 27859 1 119 . 1 1 46 46 PRO C C 13 175.1 . . . . . . . . 46 PRO C . 27859 1 120 . 1 1 46 46 PRO CA C 13 60 . . . . . . . . 46 PRO CA . 27859 1 121 . 1 1 46 46 PRO CB C 13 28 . . . . . . . . 46 PRO CB . 27859 1 122 . 1 1 47 47 LEU H H 1 8.84 . . . . . . . . 47 LEU H . 27859 1 123 . 1 1 47 47 LEU C C 13 173.1 . . . . . . . . 47 LEU C . 27859 1 124 . 1 1 47 47 LEU CA C 13 52 . . . . . . . . 47 LEU CA . 27859 1 125 . 1 1 47 47 LEU CB C 13 39.9 . . . . . . . . 47 LEU CB . 27859 1 126 . 1 1 47 47 LEU N N 15 127 . . . . . . . . 47 LEU N . 27859 1 127 . 1 1 48 48 SER H H 1 8.45 . . . . . . . . 48 SER H . 27859 1 128 . 1 1 48 48 SER C C 13 168.8 . . . . . . . . 48 SER C . 27859 1 129 . 1 1 48 48 SER CA C 13 54.2 . . . . . . . . 48 SER CA . 27859 1 130 . 1 1 48 48 SER CB C 13 60.3 . . . . . . . . 48 SER CB . 27859 1 131 . 1 1 48 48 SER N N 15 122 . . . . . . . . 48 SER N . 27859 1 132 . 1 1 49 49 VAL H H 1 8.13 . . . . . . . . 49 VAL H . 27859 1 133 . 1 1 49 49 VAL C C 13 172.7 . . . . . . . . 49 VAL C . 27859 1 134 . 1 1 49 49 VAL CA C 13 58.1 . . . . . . . . 49 VAL CA . 27859 1 135 . 1 1 49 49 VAL CB C 13 27.8 . . . . . . . . 49 VAL CB . 27859 1 136 . 1 1 49 49 VAL N N 15 126.7 . . . . . . . . 49 VAL N . 27859 1 137 . 1 1 50 50 CYS H H 1 8.38 . . . . . . . . 50 CYS H . 27859 1 138 . 1 1 50 50 CYS C C 13 172 . . . . . . . . 50 CYS C . 27859 1 139 . 1 1 50 50 CYS CA C 13 50.1 . . . . . . . . 50 CYS CA . 27859 1 140 . 1 1 50 50 CYS CB C 13 36.4 . . . . . . . . 50 CYS CB . 27859 1 141 . 1 1 50 50 CYS N N 15 127.4 . . . . . . . . 50 CYS N . 27859 1 142 . 1 1 51 51 TYR H H 1 8.73 . . . . . . . . 51 TYR H . 27859 1 143 . 1 1 51 51 TYR C C 13 174 . . . . . . . . 51 TYR C . 27859 1 144 . 1 1 51 51 TYR CA C 13 49.8 . . . . . . . . 51 TYR CA . 27859 1 145 . 1 1 51 51 TYR CB C 13 35.2 . . . . . . . . 51 TYR CB . 27859 1 146 . 1 1 51 51 TYR N N 15 123.9 . . . . . . . . 51 TYR N . 27859 1 147 . 1 1 52 52 ASP H H 1 8.61 . . . . . . . . 52 ASP H . 27859 1 148 . 1 1 52 52 ASP C C 13 173.9 . . . . . . . . 52 ASP C . 27859 1 149 . 1 1 52 52 ASP CA C 13 55 . . . . . . . . 52 ASP CA . 27859 1 150 . 1 1 52 52 ASP CB C 13 37.2 . . . . . . . . 52 ASP CB . 27859 1 151 . 1 1 52 52 ASP N N 15 122.2 . . . . . . . . 52 ASP N . 27859 1 152 . 1 1 53 53 GLN H H 1 7.93 . . . . . . . . 53 GLN H . 27859 1 153 . 1 1 53 53 GLN C C 13 172.4 . . . . . . . . 53 GLN C . 27859 1 154 . 1 1 53 53 GLN CA C 13 51.4 . . . . . . . . 53 GLN CA . 27859 1 155 . 1 1 53 53 GLN CB C 13 25.1 . . . . . . . . 53 GLN CB . 27859 1 156 . 1 1 53 53 GLN N N 15 114.9 . . . . . . . . 53 GLN N . 27859 1 157 . 1 1 54 54 ALA H H 1 7.26 . . . . . . . . 54 ALA H . 27859 1 158 . 1 1 54 54 ALA C C 13 175.3 . . . . . . . . 54 ALA C . 27859 1 159 . 1 1 54 54 ALA CA C 13 50.4 . . . . . . . . 54 ALA CA . 27859 1 160 . 1 1 54 54 ALA CB C 13 15.9 . . . . . . . . 54 ALA CB . 27859 1 161 . 1 1 54 54 ALA N N 15 120.6 . . . . . . . . 54 ALA N . 27859 1 162 . 1 1 55 55 THR H H 1 9.26 . . . . . . . . 55 THR H . 27859 1 163 . 1 1 55 55 THR C C 13 170.4 . . . . . . . . 55 THR C . 27859 1 164 . 1 1 55 55 THR CA C 13 57.6 . . . . . . . . 55 THR CA . 27859 1 165 . 1 1 55 55 THR CB C 13 68.7 . . . . . . . . 55 THR CB . 27859 1 166 . 1 1 55 55 THR N N 15 121.1 . . . . . . . . 55 THR N . 27859 1 167 . 1 1 56 56 SER H H 1 9.88 . . . . . . . . 56 SER H . 27859 1 168 . 1 1 56 56 SER C C 13 170.8 . . . . . . . . 56 SER C . 27859 1 169 . 1 1 56 56 SER CA C 13 55.9 . . . . . . . . 56 SER CA . 27859 1 170 . 1 1 56 56 SER CB C 13 60.6 . . . . . . . . 56 SER CB . 27859 1 171 . 1 1 56 56 SER N N 15 127 . . . . . . . . 56 SER N . 27859 1 172 . 1 1 57 57 LEU H H 1 8.81 . . . . . . . . 57 LEU H . 27859 1 173 . 1 1 57 57 LEU C C 13 175.4 . . . . . . . . 57 LEU C . 27859 1 174 . 1 1 57 57 LEU CA C 13 52.5 . . . . . . . . 57 LEU CA . 27859 1 175 . 1 1 57 57 LEU CB C 13 42 . . . . . . . . 57 LEU CB . 27859 1 176 . 1 1 57 57 LEU N N 15 118 . . . . . . . . 57 LEU N . 27859 1 177 . 1 1 58 58 ARG H H 1 7.07 . . . . . . . . 58 ARG H . 27859 1 178 . 1 1 58 58 ARG C C 13 169 . . . . . . . . 58 ARG C . 27859 1 179 . 1 1 58 58 ARG CA C 13 52 . . . . . . . . 58 ARG CA . 27859 1 180 . 1 1 58 58 ARG CB C 13 30.3 . . . . . . . . 58 ARG CB . 27859 1 181 . 1 1 58 58 ARG N N 15 115.3 . . . . . . . . 58 ARG N . 27859 1 182 . 1 1 59 59 ILE H H 1 8.91 . . . . . . . . 59 ILE H . 27859 1 183 . 1 1 59 59 ILE C C 13 169.7 . . . . . . . . 59 ILE C . 27859 1 184 . 1 1 59 59 ILE CA C 13 54.7 . . . . . . . . 59 ILE CA . 27859 1 185 . 1 1 59 59 ILE CB C 13 38.2 . . . . . . . . 59 ILE CB . 27859 1 186 . 1 1 59 59 ILE N N 15 122.6 . . . . . . . . 59 ILE N . 27859 1 187 . 1 1 60 60 LEU H H 1 8.56 . . . . . . . . 60 LEU H . 27859 1 188 . 1 1 60 60 LEU C C 13 172.1 . . . . . . . . 60 LEU C . 27859 1 189 . 1 1 60 60 LEU CA C 13 51.2 . . . . . . . . 60 LEU CA . 27859 1 190 . 1 1 60 60 LEU CB C 13 41.6 . . . . . . . . 60 LEU CB . 27859 1 191 . 1 1 60 60 LEU N N 15 124.1 . . . . . . . . 60 LEU N . 27859 1 192 . 1 1 61 61 ASN H H 1 8.31 . . . . . . . . 61 ASN H . 27859 1 193 . 1 1 61 61 ASN C C 13 173.8 . . . . . . . . 61 ASN C . 27859 1 194 . 1 1 61 61 ASN CA C 13 48.8 . . . . . . . . 61 ASN CA . 27859 1 195 . 1 1 61 61 ASN CB C 13 35.5 . . . . . . . . 61 ASN CB . 27859 1 196 . 1 1 61 61 ASN N N 15 121.5 . . . . . . . . 61 ASN N . 27859 1 197 . 1 1 62 62 ASN H H 1 7.9 . . . . . . . . 62 ASN H . 27859 1 198 . 1 1 62 62 ASN C C 13 174.1 . . . . . . . . 62 ASN C . 27859 1 199 . 1 1 62 62 ASN CA C 13 48.4 . . . . . . . . 62 ASN CA . 27859 1 200 . 1 1 62 62 ASN CB C 13 35.3 . . . . . . . . 62 ASN CB . 27859 1 201 . 1 1 62 62 ASN N N 15 123.7 . . . . . . . . 62 ASN N . 27859 1 202 . 1 1 63 63 GLY H H 1 9.56 . . . . . . . . 63 GLY H . 27859 1 203 . 1 1 63 63 GLY C C 13 170.2 . . . . . . . . 63 GLY C . 27859 1 204 . 1 1 63 63 GLY CA C 13 42.1 . . . . . . . . 63 GLY CA . 27859 1 205 . 1 1 63 63 GLY N N 15 109.7 . . . . . . . . 63 GLY N . 27859 1 206 . 1 1 65 65 ALA H H 1 8.46 . . . . . . . . 65 ALA H . 27859 1 207 . 1 1 65 65 ALA C C 13 172.6 . . . . . . . . 65 ALA C . 27859 1 208 . 1 1 65 65 ALA CA C 13 49 . . . . . . . . 65 ALA CA . 27859 1 209 . 1 1 65 65 ALA CB C 13 16.5 . . . . . . . . 65 ALA CB . 27859 1 210 . 1 1 65 65 ALA N N 15 123.9 . . . . . . . . 65 ALA N . 27859 1 211 . 1 1 66 66 PHE H H 1 7.07 . . . . . . . . 66 PHE H . 27859 1 212 . 1 1 66 66 PHE C C 13 171.2 . . . . . . . . 66 PHE C . 27859 1 213 . 1 1 66 66 PHE CA C 13 52 . . . . . . . . 66 PHE CA . 27859 1 214 . 1 1 66 66 PHE CB C 13 38.5 . . . . . . . . 66 PHE CB . 27859 1 215 . 1 1 66 66 PHE N N 15 110.5 . . . . . . . . 66 PHE N . 27859 1 216 . 1 1 67 67 ASN H H 1 8.85 . . . . . . . . 67 ASN H . 27859 1 217 . 1 1 67 67 ASN C C 13 172.4 . . . . . . . . 67 ASN C . 27859 1 218 . 1 1 67 67 ASN CA C 13 47.3 . . . . . . . . 67 ASN CA . 27859 1 219 . 1 1 67 67 ASN CB C 13 36.6 . . . . . . . . 67 ASN CB . 27859 1 220 . 1 1 67 67 ASN N N 15 121.2 . . . . . . . . 67 ASN N . 27859 1 221 . 1 1 68 68 VAL H H 1 8.53 . . . . . . . . 68 VAL H . 27859 1 222 . 1 1 68 68 VAL C C 13 172.5 . . . . . . . . 68 VAL C . 27859 1 223 . 1 1 68 68 VAL CA C 13 58.3 . . . . . . . . 68 VAL CA . 27859 1 224 . 1 1 68 68 VAL CB C 13 27.2 . . . . . . . . 68 VAL CB . 27859 1 225 . 1 1 68 68 VAL N N 15 122.4 . . . . . . . . 68 VAL N . 27859 1 226 . 1 1 69 69 GLU H H 1 8.35 . . . . . . . . 69 GLU H . 27859 1 227 . 1 1 69 69 GLU C C 13 173.4 . . . . . . . . 69 GLU C . 27859 1 228 . 1 1 69 69 GLU CA C 13 52.1 . . . . . . . . 69 GLU CA . 27859 1 229 . 1 1 69 69 GLU CB C 13 28.7 . . . . . . . . 69 GLU CB . 27859 1 230 . 1 1 69 69 GLU N N 15 124.3 . . . . . . . . 69 GLU N . 27859 1 231 . 1 1 70 70 PHE H H 1 8.51 . . . . . . . . 70 PHE H . 27859 1 232 . 1 1 70 70 PHE C C 13 172.2 . . . . . . . . 70 PHE C . 27859 1 233 . 1 1 70 70 PHE CA C 13 53.8 . . . . . . . . 70 PHE CA . 27859 1 234 . 1 1 70 70 PHE CB C 13 38.5 . . . . . . . . 70 PHE CB . 27859 1 235 . 1 1 70 70 PHE N N 15 119.5 . . . . . . . . 70 PHE N . 27859 1 236 . 1 1 71 71 ASP H H 1 8.32 . . . . . . . . 71 ASP H . 27859 1 237 . 1 1 71 71 ASP C C 13 173.5 . . . . . . . . 71 ASP C . 27859 1 238 . 1 1 71 71 ASP CA C 13 51.4 . . . . . . . . 71 ASP CA . 27859 1 239 . 1 1 71 71 ASP CB C 13 38 . . . . . . . . 71 ASP CB . 27859 1 240 . 1 1 71 71 ASP N N 15 117.4 . . . . . . . . 71 ASP N . 27859 1 241 . 1 1 72 72 ASP H H 1 8.82 . . . . . . . . 72 ASP H . 27859 1 242 . 1 1 72 72 ASP C C 13 173.8 . . . . . . . . 72 ASP C . 27859 1 243 . 1 1 72 72 ASP CA C 13 49.8 . . . . . . . . 72 ASP CA . 27859 1 244 . 1 1 72 72 ASP CB C 13 37 . . . . . . . . 72 ASP CB . 27859 1 245 . 1 1 72 72 ASP N N 15 132.1 . . . . . . . . 72 ASP N . 27859 1 246 . 1 1 73 73 SER H H 1 8.59 . . . . . . . . 73 SER H . 27859 1 247 . 1 1 73 73 SER C C 13 171.4 . . . . . . . . 73 SER C . 27859 1 248 . 1 1 73 73 SER CA C 13 57.7 . . . . . . . . 73 SER CA . 27859 1 249 . 1 1 73 73 SER CB C 13 60.9 . . . . . . . . 73 SER CB . 27859 1 250 . 1 1 73 73 SER N N 15 116.1 . . . . . . . . 73 SER N . 27859 1 251 . 1 1 74 74 GLN H H 1 7.53 . . . . . . . . 74 GLN H . 27859 1 252 . 1 1 74 74 GLN C C 13 172.7 . . . . . . . . 74 GLN C . 27859 1 253 . 1 1 74 74 GLN CA C 13 50.4 . . . . . . . . 74 GLN CA . 27859 1 254 . 1 1 74 74 GLN CB C 13 30.1 . . . . . . . . 74 GLN CB . 27859 1 255 . 1 1 74 74 GLN N N 15 118.1 . . . . . . . . 74 GLN N . 27859 1 256 . 1 1 75 75 ASP H H 1 8.76 . . . . . . . . 75 ASP H . 27859 1 257 . 1 1 75 75 ASP C C 13 172 . . . . . . . . 75 ASP C . 27859 1 258 . 1 1 75 75 ASP CA C 13 51.8 . . . . . . . . 75 ASP CA . 27859 1 259 . 1 1 75 75 ASP CB C 13 35.6 . . . . . . . . 75 ASP CB . 27859 1 260 . 1 1 75 75 ASP N N 15 123.4 . . . . . . . . 75 ASP N . 27859 1 261 . 1 1 76 76 LYS H H 1 7.85 . . . . . . . . 76 LYS H . 27859 1 262 . 1 1 76 76 LYS C C 13 172.5 . . . . . . . . 76 LYS C . 27859 1 263 . 1 1 76 76 LYS CA C 13 54.7 . . . . . . . . 76 LYS CA . 27859 1 264 . 1 1 76 76 LYS CB C 13 31 . . . . . . . . 76 LYS CB . 27859 1 265 . 1 1 76 76 LYS N N 15 124.6 . . . . . . . . 76 LYS N . 27859 1 266 . 1 1 77 77 ALA H H 1 7.93 . . . . . . . . 77 ALA H . 27859 1 267 . 1 1 77 77 ALA C C 13 172.2 . . . . . . . . 77 ALA C . 27859 1 268 . 1 1 77 77 ALA CA C 13 48.1 . . . . . . . . 77 ALA CA . 27859 1 269 . 1 1 77 77 ALA CB C 13 15.6 . . . . . . . . 77 ALA CB . 27859 1 270 . 1 1 77 77 ALA N N 15 122.9 . . . . . . . . 77 ALA N . 27859 1 271 . 1 1 78 78 VAL H H 1 8.23 . . . . . . . . 78 VAL H . 27859 1 272 . 1 1 78 78 VAL C C 13 169.8 . . . . . . . . 78 VAL C . 27859 1 273 . 1 1 78 78 VAL CA C 13 55.2 . . . . . . . . 78 VAL CA . 27859 1 274 . 1 1 78 78 VAL CB C 13 33.1 . . . . . . . . 78 VAL CB . 27859 1 275 . 1 1 78 78 VAL N N 15 117.3 . . . . . . . . 78 VAL N . 27859 1 276 . 1 1 79 79 LEU H H 1 8.84 . . . . . . . . 79 LEU H . 27859 1 277 . 1 1 79 79 LEU C C 13 171.8 . . . . . . . . 79 LEU C . 27859 1 278 . 1 1 79 79 LEU CA C 13 49.7 . . . . . . . . 79 LEU CA . 27859 1 279 . 1 1 79 79 LEU CB C 13 42.4 . . . . . . . . 79 LEU CB . 27859 1 280 . 1 1 79 79 LEU N N 15 123.2 . . . . . . . . 79 LEU N . 27859 1 281 . 1 1 80 80 LYS H H 1 8.28 . . . . . . . . 80 LYS H . 27859 1 282 . 1 1 80 80 LYS C C 13 172 . . . . . . . . 80 LYS C . 27859 1 283 . 1 1 80 80 LYS CA C 13 51.4 . . . . . . . . 80 LYS CA . 27859 1 284 . 1 1 80 80 LYS CB C 13 33.2 . . . . . . . . 80 LYS CB . 27859 1 285 . 1 1 80 80 LYS N N 15 120.4 . . . . . . . . 80 LYS N . 27859 1 286 . 1 1 81 81 GLY H H 1 8.92 . . . . . . . . 81 GLY H . 27859 1 287 . 1 1 81 81 GLY C C 13 171.4 . . . . . . . . 81 GLY C . 27859 1 288 . 1 1 81 81 GLY CA C 13 41.2 . . . . . . . . 81 GLY CA . 27859 1 289 . 1 1 81 81 GLY N N 15 107 . . . . . . . . 81 GLY N . 27859 1 290 . 1 1 82 82 GLY H H 1 6.97 . . . . . . . . 82 GLY H . 27859 1 291 . 1 1 82 82 GLY C C 13 171.4 . . . . . . . . 82 GLY C . 27859 1 292 . 1 1 82 82 GLY CA C 13 41.4 . . . . . . . . 82 GLY CA . 27859 1 293 . 1 1 82 82 GLY N N 15 109.5 . . . . . . . . 82 GLY N . 27859 1 294 . 1 1 83 83 PRO C C 13 172.6 . . . . . . . . 83 PRO C . 27859 1 295 . 1 1 83 83 PRO CA C 13 59.5 . . . . . . . . 83 PRO CA . 27859 1 296 . 1 1 83 83 PRO CB C 13 28.4 . . . . . . . . 83 PRO CB . 27859 1 297 . 1 1 84 84 LEU H H 1 7.66 . . . . . . . . 84 LEU H . 27859 1 298 . 1 1 84 84 LEU C C 13 174.3 . . . . . . . . 84 LEU C . 27859 1 299 . 1 1 84 84 LEU CA C 13 51.4 . . . . . . . . 84 LEU CA . 27859 1 300 . 1 1 84 84 LEU CB C 13 37.5 . . . . . . . . 84 LEU CB . 27859 1 301 . 1 1 84 84 LEU N N 15 120.9 . . . . . . . . 84 LEU N . 27859 1 302 . 1 1 85 85 ASP H H 1 8.95 . . . . . . . . 85 ASP H . 27859 1 303 . 1 1 85 85 ASP C C 13 173 . . . . . . . . 85 ASP C . 27859 1 304 . 1 1 85 85 ASP CA C 13 50 . . . . . . . . 85 ASP CA . 27859 1 305 . 1 1 85 85 ASP CB C 13 38 . . . . . . . . 85 ASP CB . 27859 1 306 . 1 1 85 85 ASP N N 15 125.6 . . . . . . . . 85 ASP N . 27859 1 307 . 1 1 86 86 GLY H H 1 7.79 . . . . . . . . 86 GLY H . 27859 1 308 . 1 1 86 86 GLY C C 13 170.3 . . . . . . . . 86 GLY C . 27859 1 309 . 1 1 86 86 GLY CA C 13 41.2 . . . . . . . . 86 GLY CA . 27859 1 310 . 1 1 86 86 GLY N N 15 110.1 . . . . . . . . 86 GLY N . 27859 1 311 . 1 1 87 87 THR H H 1 8.35 . . . . . . . . 87 THR H . 27859 1 312 . 1 1 87 87 THR C C 13 170 . . . . . . . . 87 THR C . 27859 1 313 . 1 1 87 87 THR CA C 13 59.5 . . . . . . . . 87 THR CA . 27859 1 314 . 1 1 87 87 THR CB C 13 67 . . . . . . . . 87 THR CB . 27859 1 315 . 1 1 87 87 THR N N 15 116.9 . . . . . . . . 87 THR N . 27859 1 316 . 1 1 88 88 TYR H H 1 8.3 . . . . . . . . 88 TYR H . 27859 1 317 . 1 1 88 88 TYR C C 13 172.6 . . . . . . . . 88 TYR C . 27859 1 318 . 1 1 88 88 TYR CA C 13 52.1 . . . . . . . . 88 TYR CA . 27859 1 319 . 1 1 88 88 TYR CB C 13 36 . . . . . . . . 88 TYR CB . 27859 1 320 . 1 1 88 88 TYR N N 15 126.1 . . . . . . . . 88 TYR N . 27859 1 321 . 1 1 89 89 ARG H H 1 8.48 . . . . . . . . 89 ARG H . 27859 1 322 . 1 1 89 89 ARG C C 13 173.3 . . . . . . . . 89 ARG C . 27859 1 323 . 1 1 89 89 ARG CA C 13 52.5 . . . . . . . . 89 ARG CA . 27859 1 324 . 1 1 89 89 ARG CB C 13 29.8 . . . . . . . . 89 ARG CB . 27859 1 325 . 1 1 89 89 ARG N N 15 123.4 . . . . . . . . 89 ARG N . 27859 1 326 . 1 1 90 90 LEU H H 1 8.4 . . . . . . . . 90 LEU H . 27859 1 327 . 1 1 90 90 LEU C C 13 172 . . . . . . . . 90 LEU C . 27859 1 328 . 1 1 90 90 LEU CA C 13 52.7 . . . . . . . . 90 LEU CA . 27859 1 329 . 1 1 90 90 LEU CB C 13 38 . . . . . . . . 90 LEU CB . 27859 1 330 . 1 1 90 90 LEU N N 15 124.4 . . . . . . . . 90 LEU N . 27859 1 331 . 1 1 92 92 GLN H H 1 7.15 . . . . . . . . 92 GLN H . 27859 1 332 . 1 1 92 92 GLN C C 13 172.3 . . . . . . . . 92 GLN C . 27859 1 333 . 1 1 92 92 GLN CA C 13 51.8 . . . . . . . . 92 GLN CA . 27859 1 334 . 1 1 92 92 GLN CB C 13 26.4 . . . . . . . . 92 GLN CB . 27859 1 335 . 1 1 92 92 GLN N N 15 115.6 . . . . . . . . 92 GLN N . 27859 1 336 . 1 1 93 93 PHE H H 1 8.47 . . . . . . . . 93 PHE H . 27859 1 337 . 1 1 93 93 PHE C C 13 169.7 . . . . . . . . 93 PHE C . 27859 1 338 . 1 1 93 93 PHE CA C 13 52.8 . . . . . . . . 93 PHE CA . 27859 1 339 . 1 1 93 93 PHE CB C 13 41.3 . . . . . . . . 93 PHE CB . 27859 1 340 . 1 1 93 93 PHE N N 15 113.9 . . . . . . . . 93 PHE N . 27859 1 341 . 1 1 94 94 HIS H H 1 8.06 . . . . . . . . 94 HIS H . 27859 1 342 . 1 1 94 94 HIS C C 13 168.3 . . . . . . . . 94 HIS C . 27859 1 343 . 1 1 94 94 HIS CA C 13 52.6 . . . . . . . . 94 HIS CA . 27859 1 344 . 1 1 94 94 HIS CB C 13 28.6 . . . . . . . . 94 HIS CB . 27859 1 345 . 1 1 94 94 HIS N N 15 113.5 . . . . . . . . 94 HIS N . 27859 1 346 . 1 1 95 95 PHE H H 1 9.01 . . . . . . . . 95 PHE H . 27859 1 347 . 1 1 95 95 PHE C C 13 169.8 . . . . . . . . 95 PHE C . 27859 1 348 . 1 1 95 95 PHE CA C 13 52.7 . . . . . . . . 95 PHE CA . 27859 1 349 . 1 1 95 95 PHE CB C 13 40.1 . . . . . . . . 95 PHE CB . 27859 1 350 . 1 1 95 95 PHE N N 15 117.6 . . . . . . . . 95 PHE N . 27859 1 351 . 1 1 96 96 HIS H H 1 8.62 . . . . . . . . 96 HIS H . 27859 1 352 . 1 1 96 96 HIS C C 13 171.6 . . . . . . . . 96 HIS C . 27859 1 353 . 1 1 96 96 HIS CA C 13 51.2 . . . . . . . . 96 HIS CA . 27859 1 354 . 1 1 96 96 HIS CB C 13 28 . . . . . . . . 96 HIS CB . 27859 1 355 . 1 1 96 96 HIS N N 15 115.6 . . . . . . . . 96 HIS N . 27859 1 356 . 1 1 97 97 TRP H H 1 9.39 . . . . . . . . 97 TRP H . 27859 1 357 . 1 1 97 97 TRP C C 13 172.7 . . . . . . . . 97 TRP C . 27859 1 358 . 1 1 97 97 TRP CA C 13 55.5 . . . . . . . . 97 TRP CA . 27859 1 359 . 1 1 97 97 TRP CB C 13 28 . . . . . . . . 97 TRP CB . 27859 1 360 . 1 1 97 97 TRP N N 15 119.6 . . . . . . . . 97 TRP N . 27859 1 361 . 1 1 98 98 GLY H H 1 7.94 . . . . . . . . 98 GLY H . 27859 1 362 . 1 1 98 98 GLY C C 13 172.1 . . . . . . . . 98 GLY C . 27859 1 363 . 1 1 98 98 GLY CA C 13 41 . . . . . . . . 98 GLY CA . 27859 1 364 . 1 1 98 98 GLY N N 15 108.4 . . . . . . . . 98 GLY N . 27859 1 365 . 1 1 99 99 SER H H 1 8.26 . . . . . . . . 99 SER H . 27859 1 366 . 1 1 99 99 SER C C 13 170.7 . . . . . . . . 99 SER C . 27859 1 367 . 1 1 99 99 SER CA C 13 55.4 . . . . . . . . 99 SER CA . 27859 1 368 . 1 1 99 99 SER CB C 13 59.4 . . . . . . . . 99 SER CB . 27859 1 369 . 1 1 99 99 SER N N 15 112.4 . . . . . . . . 99 SER N . 27859 1 370 . 1 1 100 100 LEU H H 1 7.21 . . . . . . . . 100 LEU H . 27859 1 371 . 1 1 100 100 LEU C C 13 174.8 . . . . . . . . 100 LEU C . 27859 1 372 . 1 1 100 100 LEU CA C 13 50.4 . . . . . . . . 100 LEU CA . 27859 1 373 . 1 1 100 100 LEU CB C 13 41.7 . . . . . . . . 100 LEU CB . 27859 1 374 . 1 1 100 100 LEU N N 15 119.5 . . . . . . . . 100 LEU N . 27859 1 375 . 1 1 101 101 ASP H H 1 8.76 . . . . . . . . 101 ASP H . 27859 1 376 . 1 1 101 101 ASP C C 13 173.6 . . . . . . . . 101 ASP C . 27859 1 377 . 1 1 101 101 ASP CA C 13 54 . . . . . . . . 101 ASP CA . 27859 1 378 . 1 1 101 101 ASP CB C 13 36.8 . . . . . . . . 101 ASP CB . 27859 1 379 . 1 1 101 101 ASP N N 15 120.9 . . . . . . . . 101 ASP N . 27859 1 380 . 1 1 102 102 GLY H H 1 7.54 . . . . . . . . 102 GLY H . 27859 1 381 . 1 1 102 102 GLY C C 13 169.6 . . . . . . . . 102 GLY C . 27859 1 382 . 1 1 102 102 GLY CA C 13 42.3 . . . . . . . . 102 GLY CA . 27859 1 383 . 1 1 102 102 GLY N N 15 103.3 . . . . . . . . 102 GLY N . 27859 1 384 . 1 1 103 103 GLN H H 1 7.71 . . . . . . . . 103 GLN H . 27859 1 385 . 1 1 103 103 GLN C C 13 168.6 . . . . . . . . 103 GLN C . 27859 1 386 . 1 1 103 103 GLN CA C 13 50.1 . . . . . . . . 103 GLN CA . 27859 1 387 . 1 1 103 103 GLN CB C 13 27.2 . . . . . . . . 103 GLN CB . 27859 1 388 . 1 1 103 103 GLN N N 15 115.5 . . . . . . . . 103 GLN N . 27859 1 389 . 1 1 104 104 GLY H H 1 8.11 . . . . . . . . 104 GLY H . 27859 1 390 . 1 1 104 104 GLY C C 13 168.2 . . . . . . . . 104 GLY C . 27859 1 391 . 1 1 104 104 GLY CA C 13 43 . . . . . . . . 104 GLY CA . 27859 1 392 . 1 1 104 104 GLY N N 15 106.6 . . . . . . . . 104 GLY N . 27859 1 393 . 1 1 105 105 SER H H 1 7.21 . . . . . . . . 105 SER H . 27859 1 394 . 1 1 105 105 SER C C 13 170 . . . . . . . . 105 SER C . 27859 1 395 . 1 1 105 105 SER CA C 13 55 . . . . . . . . 105 SER CA . 27859 1 396 . 1 1 105 105 SER CB C 13 60 . . . . . . . . 105 SER CB . 27859 1 397 . 1 1 105 105 SER N N 15 108.2 . . . . . . . . 105 SER N . 27859 1 398 . 1 1 106 106 GLU H H 1 8.16 . . . . . . . . 106 GLU H . 27859 1 399 . 1 1 106 106 GLU C C 13 175 . . . . . . . . 106 GLU C . 27859 1 400 . 1 1 106 106 GLU CA C 13 55.4 . . . . . . . . 106 GLU CA . 27859 1 401 . 1 1 106 106 GLU CB C 13 27.1 . . . . . . . . 106 GLU CB . 27859 1 402 . 1 1 106 106 GLU N N 15 119.5 . . . . . . . . 106 GLU N . 27859 1 403 . 1 1 107 107 HIS H H 1 10.56 . . . . . . . . 107 HIS H . 27859 1 404 . 1 1 107 107 HIS C C 13 170.9 . . . . . . . . 107 HIS C . 27859 1 405 . 1 1 107 107 HIS CA C 13 56.9 . . . . . . . . 107 HIS CA . 27859 1 406 . 1 1 107 107 HIS CB C 13 25.5 . . . . . . . . 107 HIS CB . 27859 1 407 . 1 1 107 107 HIS N N 15 118.2 . . . . . . . . 107 HIS N . 27859 1 408 . 1 1 108 108 THR H H 1 7.22 . . . . . . . . 108 THR H . 27859 1 409 . 1 1 108 108 THR C C 13 170.7 . . . . . . . . 108 THR C . 27859 1 410 . 1 1 108 108 THR CA C 13 56.2 . . . . . . . . 108 THR CA . 27859 1 411 . 1 1 108 108 THR CB C 13 68.3 . . . . . . . . 108 THR CB . 27859 1 412 . 1 1 108 108 THR N N 15 109.8 . . . . . . . . 108 THR N . 27859 1 413 . 1 1 109 109 VAL H H 1 7.5 . . . . . . . . 109 VAL H . 27859 1 414 . 1 1 109 109 VAL C C 13 174.4 . . . . . . . . 109 VAL C . 27859 1 415 . 1 1 109 109 VAL CA C 13 57.9 . . . . . . . . 109 VAL CA . 27859 1 416 . 1 1 109 109 VAL CB C 13 30.1 . . . . . . . . 109 VAL CB . 27859 1 417 . 1 1 109 109 VAL N N 15 119 . . . . . . . . 109 VAL N . 27859 1 418 . 1 1 110 110 ASP H H 1 9.57 . . . . . . . . 110 ASP H . 27859 1 419 . 1 1 110 110 ASP C C 13 173.6 . . . . . . . . 110 ASP C . 27859 1 420 . 1 1 110 110 ASP CA C 13 53.3 . . . . . . . . 110 ASP CA . 27859 1 421 . 1 1 110 110 ASP CB C 13 35.8 . . . . . . . . 110 ASP CB . 27859 1 422 . 1 1 110 110 ASP N N 15 132.8 . . . . . . . . 110 ASP N . 27859 1 423 . 1 1 111 111 LYS H H 1 9.72 . . . . . . . . 111 LYS H . 27859 1 424 . 1 1 111 111 LYS C C 13 173.1 . . . . . . . . 111 LYS C . 27859 1 425 . 1 1 111 111 LYS CA C 13 55 . . . . . . . . 111 LYS CA . 27859 1 426 . 1 1 111 111 LYS CB C 13 26.5 . . . . . . . . 111 LYS CB . 27859 1 427 . 1 1 111 111 LYS N N 15 110.4 . . . . . . . . 111 LYS N . 27859 1 428 . 1 1 112 112 LYS H H 1 8.1 . . . . . . . . 112 LYS H . 27859 1 429 . 1 1 112 112 LYS C C 13 172.1 . . . . . . . . 112 LYS C . 27859 1 430 . 1 1 112 112 LYS CA C 13 53.5 . . . . . . . . 112 LYS CA . 27859 1 431 . 1 1 112 112 LYS CB C 13 29 . . . . . . . . 112 LYS CB . 27859 1 432 . 1 1 112 112 LYS N N 15 125.1 . . . . . . . . 112 LYS N . 27859 1 433 . 1 1 113 113 LYS H H 1 7.84 . . . . . . . . 113 LYS H . 27859 1 434 . 1 1 113 113 LYS C C 13 173.9 . . . . . . . . 113 LYS C . 27859 1 435 . 1 1 113 113 LYS CA C 13 51.9 . . . . . . . . 113 LYS CA . 27859 1 436 . 1 1 113 113 LYS CB C 13 31.7 . . . . . . . . 113 LYS CB . 27859 1 437 . 1 1 113 113 LYS N N 15 122.4 . . . . . . . . 113 LYS N . 27859 1 438 . 1 1 114 114 TYR H H 1 8.06 . . . . . . . . 114 TYR H . 27859 1 439 . 1 1 114 114 TYR C C 13 170.8 . . . . . . . . 114 TYR C . 27859 1 440 . 1 1 114 114 TYR CA C 13 54.6 . . . . . . . . 114 TYR CA . 27859 1 441 . 1 1 114 114 TYR CB C 13 36 . . . . . . . . 114 TYR CB . 27859 1 442 . 1 1 114 114 TYR N N 15 121.8 . . . . . . . . 114 TYR N . 27859 1 443 . 1 1 115 115 ALA H H 1 7.44 . . . . . . . . 115 ALA H . 27859 1 444 . 1 1 115 115 ALA C C 13 175.2 . . . . . . . . 115 ALA C . 27859 1 445 . 1 1 115 115 ALA CA C 13 50.6 . . . . . . . . 115 ALA CA . 27859 1 446 . 1 1 115 115 ALA CB C 13 15.9 . . . . . . . . 115 ALA CB . 27859 1 447 . 1 1 115 115 ALA N N 15 121.3 . . . . . . . . 115 ALA N . 27859 1 448 . 1 1 116 116 ALA H H 1 8.01 . . . . . . . . 116 ALA H . 27859 1 449 . 1 1 116 116 ALA C C 13 172.7 . . . . . . . . 116 ALA C . 27859 1 450 . 1 1 116 116 ALA CA C 13 48.2 . . . . . . . . 116 ALA CA . 27859 1 451 . 1 1 116 116 ALA CB C 13 18.7 . . . . . . . . 116 ALA CB . 27859 1 452 . 1 1 116 116 ALA N N 15 112.5 . . . . . . . . 116 ALA N . 27859 1 453 . 1 1 117 117 GLU H H 1 9.3 . . . . . . . . 117 GLU H . 27859 1 454 . 1 1 117 117 GLU C C 13 170.2 . . . . . . . . 117 GLU C . 27859 1 455 . 1 1 117 117 GLU CA C 13 52.8 . . . . . . . . 117 GLU CA . 27859 1 456 . 1 1 117 117 GLU CB C 13 32.5 . . . . . . . . 117 GLU CB . 27859 1 457 . 1 1 117 117 GLU N N 15 121.4 . . . . . . . . 117 GLU N . 27859 1 458 . 1 1 118 118 LEU H H 1 9.77 . . . . . . . . 118 LEU H . 27859 1 459 . 1 1 118 118 LEU C C 13 171.8 . . . . . . . . 118 LEU C . 27859 1 460 . 1 1 118 118 LEU CA C 13 50 . . . . . . . . 118 LEU CA . 27859 1 461 . 1 1 118 118 LEU CB C 13 39.9 . . . . . . . . 118 LEU CB . 27859 1 462 . 1 1 118 118 LEU N N 15 130.9 . . . . . . . . 118 LEU N . 27859 1 463 . 1 1 119 119 HIS H H 1 8.87 . . . . . . . . 119 HIS H . 27859 1 464 . 1 1 119 119 HIS C C 13 171 . . . . . . . . 119 HIS C . 27859 1 465 . 1 1 119 119 HIS CA C 13 49 . . . . . . . . 119 HIS CA . 27859 1 466 . 1 1 119 119 HIS CB C 13 29.9 . . . . . . . . 119 HIS CB . 27859 1 467 . 1 1 119 119 HIS N N 15 125.6 . . . . . . . . 119 HIS N . 27859 1 468 . 1 1 120 120 LEU H H 1 8.9 . . . . . . . . 120 LEU H . 27859 1 469 . 1 1 120 120 LEU C C 13 172 . . . . . . . . 120 LEU C . 27859 1 470 . 1 1 120 120 LEU CA C 13 52.5 . . . . . . . . 120 LEU CA . 27859 1 471 . 1 1 120 120 LEU CB C 13 38.5 . . . . . . . . 120 LEU CB . 27859 1 472 . 1 1 120 120 LEU N N 15 124.1 . . . . . . . . 120 LEU N . 27859 1 473 . 1 1 121 121 VAL H H 1 9.07 . . . . . . . . 121 VAL H . 27859 1 474 . 1 1 121 121 VAL C C 13 170.9 . . . . . . . . 121 VAL C . 27859 1 475 . 1 1 121 121 VAL CA C 13 60.8 . . . . . . . . 121 VAL CA . 27859 1 476 . 1 1 121 121 VAL CB C 13 29.3 . . . . . . . . 121 VAL CB . 27859 1 477 . 1 1 121 121 VAL N N 15 126.9 . . . . . . . . 121 VAL N . 27859 1 478 . 1 1 122 122 HIS H H 1 8.41 . . . . . . . . 122 HIS H . 27859 1 479 . 1 1 122 122 HIS CA C 13 50.8 . . . . . . . . 122 HIS CA . 27859 1 480 . 1 1 122 122 HIS CB C 13 37.8 . . . . . . . . 122 HIS CB . 27859 1 481 . 1 1 122 122 HIS N N 15 124.6 . . . . . . . . 122 HIS N . 27859 1 482 . 1 1 123 123 TRP H H 1 8.95 . . . . . . . . 123 TRP H . 27859 1 483 . 1 1 123 123 TRP C C 13 171.4 . . . . . . . . 123 TRP C . 27859 1 484 . 1 1 123 123 TRP CA C 13 50.6 . . . . . . . . 123 TRP CA . 27859 1 485 . 1 1 123 123 TRP CB C 13 30.3 . . . . . . . . 123 TRP CB . 27859 1 486 . 1 1 123 123 TRP N N 15 119.5 . . . . . . . . 123 TRP N . 27859 1 487 . 1 1 124 124 ASN H H 1 8.94 . . . . . . . . 124 ASN H . 27859 1 488 . 1 1 124 124 ASN C C 13 174.3 . . . . . . . . 124 ASN C . 27859 1 489 . 1 1 124 124 ASN CA C 13 50.3 . . . . . . . . 124 ASN CA . 27859 1 490 . 1 1 124 124 ASN CB C 13 35.6 . . . . . . . . 124 ASN CB . 27859 1 491 . 1 1 124 124 ASN N N 15 120.3 . . . . . . . . 124 ASN N . 27859 1 492 . 1 1 125 125 THR H H 1 8.07 . . . . . . . . 125 THR H . 27859 1 493 . 1 1 125 125 THR C C 13 174 . . . . . . . . 125 THR C . 27859 1 494 . 1 1 125 125 THR CA C 13 60.9 . . . . . . . . 125 THR CA . 27859 1 495 . 1 1 125 125 THR CB C 13 65.3 . . . . . . . . 125 THR CB . 27859 1 496 . 1 1 125 125 THR N N 15 117.9 . . . . . . . . 125 THR N . 27859 1 497 . 1 1 127 127 LYS H H 1 7.81 . . . . . . . . 127 LYS H . 27859 1 498 . 1 1 127 127 LYS C C 13 174.6 . . . . . . . . 127 LYS C . 27859 1 499 . 1 1 127 127 LYS CA C 13 55.1 . . . . . . . . 127 LYS CA . 27859 1 500 . 1 1 127 127 LYS CB C 13 28.4 . . . . . . . . 127 LYS CB . 27859 1 501 . 1 1 127 127 LYS N N 15 123.4 . . . . . . . . 127 LYS N . 27859 1 502 . 1 1 128 128 TYR H H 1 7.56 . . . . . . . . 128 TYR H . 27859 1 503 . 1 1 128 128 TYR C C 13 174.3 . . . . . . . . 128 TYR C . 27859 1 504 . 1 1 128 128 TYR CA C 13 54.7 . . . . . . . . 128 TYR CA . 27859 1 505 . 1 1 128 128 TYR CB C 13 35.1 . . . . . . . . 128 TYR CB . 27859 1 506 . 1 1 128 128 TYR N N 15 116.1 . . . . . . . . 128 TYR N . 27859 1 507 . 1 1 129 129 GLY H H 1 7.73 . . . . . . . . 129 GLY H . 27859 1 508 . 1 1 129 129 GLY C C 13 170.5 . . . . . . . . 129 GLY C . 27859 1 509 . 1 1 129 129 GLY CA C 13 44.7 . . . . . . . . 129 GLY CA . 27859 1 510 . 1 1 129 129 GLY N N 15 107.9 . . . . . . . . 129 GLY N . 27859 1 511 . 1 1 130 130 ASP H H 1 7.3 . . . . . . . . 130 ASP H . 27859 1 512 . 1 1 130 130 ASP C C 13 171.4 . . . . . . . . 130 ASP C . 27859 1 513 . 1 1 130 130 ASP CA C 13 49.5 . . . . . . . . 130 ASP CA . 27859 1 514 . 1 1 130 130 ASP CB C 13 39.6 . . . . . . . . 130 ASP CB . 27859 1 515 . 1 1 130 130 ASP N N 15 116.8 . . . . . . . . 130 ASP N . 27859 1 516 . 1 1 131 131 PHE H H 1 7.48 . . . . . . . . 131 PHE H . 27859 1 517 . 1 1 131 131 PHE C C 13 172.5 . . . . . . . . 131 PHE C . 27859 1 518 . 1 1 131 131 PHE CA C 13 58.3 . . . . . . . . 131 PHE CA . 27859 1 519 . 1 1 131 131 PHE CB C 13 36.1 . . . . . . . . 131 PHE CB . 27859 1 520 . 1 1 131 131 PHE N N 15 120.1 . . . . . . . . 131 PHE N . 27859 1 521 . 1 1 132 132 GLY H H 1 7.95 . . . . . . . . 132 GLY H . 27859 1 522 . 1 1 132 132 GLY C C 13 173.9 . . . . . . . . 132 GLY C . 27859 1 523 . 1 1 132 132 GLY CA C 13 43.3 . . . . . . . . 132 GLY CA . 27859 1 524 . 1 1 132 132 GLY N N 15 105 . . . . . . . . 132 GLY N . 27859 1 525 . 1 1 133 133 LYS H H 1 7.5 . . . . . . . . 133 LYS H . 27859 1 526 . 1 1 133 133 LYS C C 13 176.4 . . . . . . . . 133 LYS C . 27859 1 527 . 1 1 133 133 LYS CA C 13 54.8 . . . . . . . . 133 LYS CA . 27859 1 528 . 1 1 133 133 LYS CB C 13 29.3 . . . . . . . . 133 LYS CB . 27859 1 529 . 1 1 133 133 LYS N N 15 120.1 . . . . . . . . 133 LYS N . 27859 1 530 . 1 1 134 134 ALA H H 1 7.8 . . . . . . . . 134 ALA H . 27859 1 531 . 1 1 134 134 ALA C C 13 176.8 . . . . . . . . 134 ALA C . 27859 1 532 . 1 1 134 134 ALA CA C 13 52.1 . . . . . . . . 134 ALA CA . 27859 1 533 . 1 1 134 134 ALA CB C 13 16.3 . . . . . . . . 134 ALA CB . 27859 1 534 . 1 1 134 134 ALA N N 15 123.8 . . . . . . . . 134 ALA N . 27859 1 535 . 1 1 135 135 VAL H H 1 7.8 . . . . . . . . 135 VAL H . 27859 1 536 . 1 1 135 135 VAL C C 13 171 . . . . . . . . 135 VAL C . 27859 1 537 . 1 1 135 135 VAL CA C 13 60.7 . . . . . . . . 135 VAL CA . 27859 1 538 . 1 1 135 135 VAL CB C 13 27.6 . . . . . . . . 135 VAL CB . 27859 1 539 . 1 1 135 135 VAL N N 15 113.9 . . . . . . . . 135 VAL N . 27859 1 540 . 1 1 136 136 GLN H H 1 6.44 . . . . . . . . 136 GLN H . 27859 1 541 . 1 1 136 136 GLN C C 13 173.5 . . . . . . . . 136 GLN C . 27859 1 542 . 1 1 136 136 GLN CA C 13 51.9 . . . . . . . . 136 GLN CA . 27859 1 543 . 1 1 136 136 GLN CB C 13 26.1 . . . . . . . . 136 GLN CB . 27859 1 544 . 1 1 136 136 GLN N N 15 113.9 . . . . . . . . 136 GLN N . 27859 1 545 . 1 1 137 137 GLN H H 1 7.54 . . . . . . . . 137 GLN H . 27859 1 546 . 1 1 137 137 GLN C C 13 172.7 . . . . . . . . 137 GLN C . 27859 1 547 . 1 1 137 137 GLN CA C 13 49.2 . . . . . . . . 137 GLN CA . 27859 1 548 . 1 1 137 137 GLN CB C 13 25.2 . . . . . . . . 137 GLN CB . 27859 1 549 . 1 1 137 137 GLN N N 15 119.6 . . . . . . . . 137 GLN N . 27859 1 550 . 1 1 138 138 PRO C C 13 173.5 . . . . . . . . 138 PRO C . 27859 1 551 . 1 1 138 138 PRO CA C 13 61.9 . . . . . . . . 138 PRO CA . 27859 1 552 . 1 1 138 138 PRO CB C 13 28.3 . . . . . . . . 138 PRO CB . 27859 1 553 . 1 1 139 139 ASP H H 1 7.77 . . . . . . . . 139 ASP H . 27859 1 554 . 1 1 139 139 ASP C C 13 175.6 . . . . . . . . 139 ASP C . 27859 1 555 . 1 1 139 139 ASP CA C 13 48.8 . . . . . . . . 139 ASP CA . 27859 1 556 . 1 1 139 139 ASP CB C 13 35.7 . . . . . . . . 139 ASP CB . 27859 1 557 . 1 1 139 139 ASP N N 15 115 . . . . . . . . 139 ASP N . 27859 1 558 . 1 1 140 140 GLY H H 1 8.15 . . . . . . . . 140 GLY H . 27859 1 559 . 1 1 140 140 GLY C C 13 171.7 . . . . . . . . 140 GLY C . 27859 1 560 . 1 1 140 140 GLY CA C 13 45.3 . . . . . . . . 140 GLY CA . 27859 1 561 . 1 1 140 140 GLY N N 15 108.7 . . . . . . . . 140 GLY N . 27859 1 562 . 1 1 141 141 LEU H H 1 8.63 . . . . . . . . 141 LEU H . 27859 1 563 . 1 1 141 141 LEU C C 13 174.5 . . . . . . . . 141 LEU C . 27859 1 564 . 1 1 141 141 LEU CA C 13 49.3 . . . . . . . . 141 LEU CA . 27859 1 565 . 1 1 141 141 LEU CB C 13 43.3 . . . . . . . . 141 LEU CB . 27859 1 566 . 1 1 141 141 LEU N N 15 116.1 . . . . . . . . 141 LEU N . 27859 1 567 . 1 1 142 142 ALA H H 1 8.77 . . . . . . . . 142 ALA H . 27859 1 568 . 1 1 142 142 ALA C C 13 173.7 . . . . . . . . 142 ALA C . 27859 1 569 . 1 1 142 142 ALA CA C 13 47.9 . . . . . . . . 142 ALA CA . 27859 1 570 . 1 1 142 142 ALA CB C 13 18.5 . . . . . . . . 142 ALA CB . 27859 1 571 . 1 1 142 142 ALA N N 15 123.9 . . . . . . . . 142 ALA N . 27859 1 572 . 1 1 143 143 VAL H H 1 7.16 . . . . . . . . 143 VAL H . 27859 1 573 . 1 1 143 143 VAL C C 13 170.2 . . . . . . . . 143 VAL C . 27859 1 574 . 1 1 143 143 VAL CA C 13 56.7 . . . . . . . . 143 VAL CA . 27859 1 575 . 1 1 143 143 VAL CB C 13 28.1 . . . . . . . . 143 VAL CB . 27859 1 576 . 1 1 143 143 VAL N N 15 124.8 . . . . . . . . 143 VAL N . 27859 1 577 . 1 1 144 144 LEU H H 1 8.35 . . . . . . . . 144 LEU H . 27859 1 578 . 1 1 144 144 LEU C C 13 170.2 . . . . . . . . 144 LEU C . 27859 1 579 . 1 1 144 144 LEU CA C 13 49.7 . . . . . . . . 144 LEU CA . 27859 1 580 . 1 1 144 144 LEU CB C 13 41.3 . . . . . . . . 144 LEU CB . 27859 1 581 . 1 1 144 144 LEU N N 15 128.7 . . . . . . . . 144 LEU N . 27859 1 582 . 1 1 145 145 GLY H H 1 9.8 . . . . . . . . 145 GLY H . 27859 1 583 . 1 1 145 145 GLY C C 13 168 . . . . . . . . 145 GLY C . 27859 1 584 . 1 1 145 145 GLY CA C 13 40.8 . . . . . . . . 145 GLY CA . 27859 1 585 . 1 1 145 145 GLY N N 15 114.7 . . . . . . . . 145 GLY N . 27859 1 586 . 1 1 146 146 ILE H H 1 9.02 . . . . . . . . 146 ILE H . 27859 1 587 . 1 1 146 146 ILE C C 13 182 . . . . . . . . 146 ILE C . 27859 1 588 . 1 1 146 146 ILE CA C 13 56 . . . . . . . . 146 ILE CA . 27859 1 589 . 1 1 146 146 ILE CB C 13 39.2 . . . . . . . . 146 ILE CB . 27859 1 590 . 1 1 146 146 ILE N N 15 124.7 . . . . . . . . 146 ILE N . 27859 1 591 . 1 1 147 147 PHE H H 1 9.99 . . . . . . . . 147 PHE H . 27859 1 592 . 1 1 147 147 PHE C C 13 172 . . . . . . . . 147 PHE C . 27859 1 593 . 1 1 147 147 PHE CA C 13 55.1 . . . . . . . . 147 PHE CA . 27859 1 594 . 1 1 147 147 PHE CB C 13 36.6 . . . . . . . . 147 PHE CB . 27859 1 595 . 1 1 147 147 PHE N N 15 129.3 . . . . . . . . 147 PHE N . 27859 1 596 . 1 1 148 148 LEU H H 1 8.1 . . . . . . . . 148 LEU H . 27859 1 597 . 1 1 148 148 LEU C C 13 172.3 . . . . . . . . 148 LEU C . 27859 1 598 . 1 1 148 148 LEU CA C 13 52.1 . . . . . . . . 148 LEU CA . 27859 1 599 . 1 1 148 148 LEU CB C 13 39.4 . . . . . . . . 148 LEU CB . 27859 1 600 . 1 1 148 148 LEU N N 15 120.7 . . . . . . . . 148 LEU N . 27859 1 601 . 1 1 149 149 LYS H H 1 8.85 . . . . . . . . 149 LYS H . 27859 1 602 . 1 1 149 149 LYS C C 13 171.8 . . . . . . . . 149 LYS C . 27859 1 603 . 1 1 149 149 LYS CA C 13 49.8 . . . . . . . . 149 LYS CA . 27859 1 604 . 1 1 149 149 LYS CB C 13 32.7 . . . . . . . . 149 LYS CB . 27859 1 605 . 1 1 149 149 LYS N N 15 119.8 . . . . . . . . 149 LYS N . 27859 1 606 . 1 1 150 150 VAL H H 1 8.32 . . . . . . . . 150 VAL H . 27859 1 607 . 1 1 150 150 VAL C C 13 175.2 . . . . . . . . 150 VAL C . 27859 1 608 . 1 1 150 150 VAL CA C 13 59.4 . . . . . . . . 150 VAL CA . 27859 1 609 . 1 1 150 150 VAL CB C 13 27.9 . . . . . . . . 150 VAL CB . 27859 1 610 . 1 1 150 150 VAL N N 15 121.8 . . . . . . . . 150 VAL N . 27859 1 611 . 1 1 151 151 GLY H H 1 8.97 . . . . . . . . 151 GLY H . 27859 1 612 . 1 1 151 151 GLY C C 13 169.9 . . . . . . . . 151 GLY C . 27859 1 613 . 1 1 151 151 GLY CA C 13 43.7 . . . . . . . . 151 GLY CA . 27859 1 614 . 1 1 151 151 GLY N N 15 118.5 . . . . . . . . 151 GLY N . 27859 1 615 . 1 1 152 152 SER H H 1 8.22 . . . . . . . . 152 SER H . 27859 1 616 . 1 1 152 152 SER C C 13 170.1 . . . . . . . . 152 SER C . 27859 1 617 . 1 1 152 152 SER CA C 13 55.5 . . . . . . . . 152 SER CA . 27859 1 618 . 1 1 152 152 SER CB C 13 60.5 . . . . . . . . 152 SER CB . 27859 1 619 . 1 1 152 152 SER N N 15 125 . . . . . . . . 152 SER N . 27859 1 620 . 1 1 153 153 ALA H H 1 8.24 . . . . . . . . 153 ALA H . 27859 1 621 . 1 1 153 153 ALA C C 13 174.8 . . . . . . . . 153 ALA C . 27859 1 622 . 1 1 153 153 ALA CA C 13 49.3 . . . . . . . . 153 ALA CA . 27859 1 623 . 1 1 153 153 ALA CB C 13 15.6 . . . . . . . . 153 ALA CB . 27859 1 624 . 1 1 153 153 ALA N N 15 121.5 . . . . . . . . 153 ALA N . 27859 1 625 . 1 1 154 154 LYS H H 1 8.59 . . . . . . . . 154 LYS H . 27859 1 626 . 1 1 154 154 LYS C C 13 174 . . . . . . . . 154 LYS C . 27859 1 627 . 1 1 154 154 LYS CA C 13 48.5 . . . . . . . . 154 LYS CA . 27859 1 628 . 1 1 154 154 LYS CB C 13 29 . . . . . . . . 154 LYS CB . 27859 1 629 . 1 1 154 154 LYS N N 15 124.4 . . . . . . . . 154 LYS N . 27859 1 630 . 1 1 157 157 LEU H H 1 7.42 . . . . . . . . 157 LEU H . 27859 1 631 . 1 1 157 157 LEU C C 13 175.3 . . . . . . . . 157 LEU C . 27859 1 632 . 1 1 157 157 LEU CA C 13 50.6 . . . . . . . . 157 LEU CA . 27859 1 633 . 1 1 157 157 LEU CB C 13 40.5 . . . . . . . . 157 LEU CB . 27859 1 634 . 1 1 157 157 LEU N N 15 117.3 . . . . . . . . 157 LEU N . 27859 1 635 . 1 1 158 158 GLN H H 1 7.65 . . . . . . . . 158 GLN H . 27859 1 636 . 1 1 158 158 GLN C C 13 173.7 . . . . . . . . 158 GLN C . 27859 1 637 . 1 1 158 158 GLN CA C 13 56.2 . . . . . . . . 158 GLN CA . 27859 1 638 . 1 1 158 158 GLN CB C 13 24.5 . . . . . . . . 158 GLN CB . 27859 1 639 . 1 1 158 158 GLN N N 15 122.8 . . . . . . . . 158 GLN N . 27859 1 640 . 1 1 159 159 LYS H H 1 8.71 . . . . . . . . 159 LYS H . 27859 1 641 . 1 1 159 159 LYS C C 13 176.7 . . . . . . . . 159 LYS C . 27859 1 642 . 1 1 159 159 LYS CA C 13 56.4 . . . . . . . . 159 LYS CA . 27859 1 643 . 1 1 159 159 LYS CB C 13 30 . . . . . . . . 159 LYS CB . 27859 1 644 . 1 1 159 159 LYS N N 15 116.3 . . . . . . . . 159 LYS N . 27859 1 645 . 1 1 160 160 VAL H H 1 6.89 . . . . . . . . 160 VAL H . 27859 1 646 . 1 1 160 160 VAL C C 13 173.5 . . . . . . . . 160 VAL C . 27859 1 647 . 1 1 160 160 VAL CA C 13 61.5 . . . . . . . . 160 VAL CA . 27859 1 648 . 1 1 160 160 VAL CB C 13 28.3 . . . . . . . . 160 VAL CB . 27859 1 649 . 1 1 160 160 VAL N N 15 113.6 . . . . . . . . 160 VAL N . 27859 1 650 . 1 1 161 161 VAL H H 1 7.15 . . . . . . . . 161 VAL H . 27859 1 651 . 1 1 161 161 VAL C C 13 175.6 . . . . . . . . 161 VAL C . 27859 1 652 . 1 1 161 161 VAL CA C 13 62.5 . . . . . . . . 161 VAL CA . 27859 1 653 . 1 1 161 161 VAL CB C 13 27.8 . . . . . . . . 161 VAL CB . 27859 1 654 . 1 1 161 161 VAL N N 15 114.8 . . . . . . . . 161 VAL N . 27859 1 655 . 1 1 162 162 ASP H H 1 8.26 . . . . . . . . 162 ASP H . 27859 1 656 . 1 1 162 162 ASP C C 13 174.7 . . . . . . . . 162 ASP C . 27859 1 657 . 1 1 162 162 ASP CA C 13 53.6 . . . . . . . . 162 ASP CA . 27859 1 658 . 1 1 162 162 ASP CB C 13 37.4 . . . . . . . . 162 ASP CB . 27859 1 659 . 1 1 162 162 ASP N N 15 117.9 . . . . . . . . 162 ASP N . 27859 1 660 . 1 1 163 163 VAL H H 1 7 . . . . . . . . 163 VAL H . 27859 1 661 . 1 1 163 163 VAL C C 13 174.7 . . . . . . . . 163 VAL C . 27859 1 662 . 1 1 163 163 VAL CA C 13 58 . . . . . . . . 163 VAL CA . 27859 1 663 . 1 1 163 163 VAL CB C 13 29.8 . . . . . . . . 163 VAL CB . 27859 1 664 . 1 1 163 163 VAL N N 15 114.5 . . . . . . . . 163 VAL N . 27859 1 665 . 1 1 164 164 LEU H H 1 6.92 . . . . . . . . 164 LEU H . 27859 1 666 . 1 1 164 164 LEU C C 13 175.9 . . . . . . . . 164 LEU C . 27859 1 667 . 1 1 164 164 LEU CA C 13 54.3 . . . . . . . . 164 LEU CA . 27859 1 668 . 1 1 164 164 LEU CB C 13 36.2 . . . . . . . . 164 LEU CB . 27859 1 669 . 1 1 164 164 LEU N N 15 122.1 . . . . . . . . 164 LEU N . 27859 1 670 . 1 1 165 165 ASP H H 1 8.08 . . . . . . . . 165 ASP H . 27859 1 671 . 1 1 165 165 ASP C C 13 175.3 . . . . . . . . 165 ASP C . 27859 1 672 . 1 1 165 165 ASP CA C 13 53.7 . . . . . . . . 165 ASP CA . 27859 1 673 . 1 1 165 165 ASP CB C 13 36.7 . . . . . . . . 165 ASP CB . 27859 1 674 . 1 1 165 165 ASP N N 15 116.6 . . . . . . . . 165 ASP N . 27859 1 675 . 1 1 166 166 SER H H 1 7.85 . . . . . . . . 166 SER H . 27859 1 676 . 1 1 166 166 SER C C 13 171.9 . . . . . . . . 166 SER C . 27859 1 677 . 1 1 166 166 SER CA C 13 57 . . . . . . . . 166 SER CA . 27859 1 678 . 1 1 166 166 SER CB C 13 60.9 . . . . . . . . 166 SER CB . 27859 1 679 . 1 1 166 166 SER N N 15 114 . . . . . . . . 166 SER N . 27859 1 680 . 1 1 167 167 ILE H H 1 7.27 . . . . . . . . 167 ILE H . 27859 1 681 . 1 1 167 167 ILE C C 13 171.7 . . . . . . . . 167 ILE C . 27859 1 682 . 1 1 167 167 ILE CA C 13 55.8 . . . . . . . . 167 ILE CA . 27859 1 683 . 1 1 167 167 ILE CB C 13 34.5 . . . . . . . . 167 ILE CB . 27859 1 684 . 1 1 167 167 ILE N N 15 117 . . . . . . . . 167 ILE N . 27859 1 685 . 1 1 168 168 LYS H H 1 7.25 . . . . . . . . 168 LYS H . 27859 1 686 . 1 1 168 168 LYS C C 13 173 . . . . . . . . 168 LYS C . 27859 1 687 . 1 1 168 168 LYS CA C 13 57.4 . . . . . . . . 168 LYS CA . 27859 1 688 . 1 1 168 168 LYS CB C 13 30 . . . . . . . . 168 LYS CB . 27859 1 689 . 1 1 168 168 LYS N N 15 117.9 . . . . . . . . 168 LYS N . 27859 1 690 . 1 1 169 169 THR H H 1 6.44 . . . . . . . . 169 THR H . 27859 1 691 . 1 1 169 169 THR C C 13 171.4 . . . . . . . . 169 THR C . 27859 1 692 . 1 1 169 169 THR CA C 13 55.3 . . . . . . . . 169 THR CA . 27859 1 693 . 1 1 169 169 THR CB C 13 68.3 . . . . . . . . 169 THR CB . 27859 1 694 . 1 1 169 169 THR N N 15 99.6 . . . . . . . . 169 THR N . 27859 1 695 . 1 1 170 170 LYS H H 1 7.34 . . . . . . . . 170 LYS H . 27859 1 696 . 1 1 170 170 LYS C C 13 175 . . . . . . . . 170 LYS C . 27859 1 697 . 1 1 170 170 LYS CA C 13 54.8 . . . . . . . . 170 LYS CA . 27859 1 698 . 1 1 170 170 LYS CB C 13 28.1 . . . . . . . . 170 LYS CB . 27859 1 699 . 1 1 170 170 LYS N N 15 121 . . . . . . . . 170 LYS N . 27859 1 700 . 1 1 171 171 GLY H H 1 8.74 . . . . . . . . 171 GLY H . 27859 1 701 . 1 1 171 171 GLY C C 13 172.2 . . . . . . . . 171 GLY C . 27859 1 702 . 1 1 171 171 GLY CA C 13 41.4 . . . . . . . . 171 GLY CA . 27859 1 703 . 1 1 171 171 GLY N N 15 117.3 . . . . . . . . 171 GLY N . 27859 1 704 . 1 1 172 172 LYS H H 1 7.68 . . . . . . . . 172 LYS H . 27859 1 705 . 1 1 172 172 LYS C C 13 172.3 . . . . . . . . 172 LYS C . 27859 1 706 . 1 1 172 172 LYS CA C 13 53 . . . . . . . . 172 LYS CA . 27859 1 707 . 1 1 172 172 LYS CB C 13 30 . . . . . . . . 172 LYS CB . 27859 1 708 . 1 1 172 172 LYS N N 15 120.7 . . . . . . . . 172 LYS N . 27859 1 709 . 1 1 173 173 SER H H 1 8.21 . . . . . . . . 173 SER H . 27859 1 710 . 1 1 173 173 SER C C 13 170.2 . . . . . . . . 173 SER C . 27859 1 711 . 1 1 173 173 SER CA C 13 53.6 . . . . . . . . 173 SER CA . 27859 1 712 . 1 1 173 173 SER CB C 13 63.8 . . . . . . . . 173 SER CB . 27859 1 713 . 1 1 173 173 SER N N 15 114.2 . . . . . . . . 173 SER N . 27859 1 714 . 1 1 174 174 ALA H H 1 8.9 . . . . . . . . 174 ALA H . 27859 1 715 . 1 1 174 174 ALA C C 13 173.5 . . . . . . . . 174 ALA C . 27859 1 716 . 1 1 174 174 ALA CA C 13 47.9 . . . . . . . . 174 ALA CA . 27859 1 717 . 1 1 174 174 ALA CB C 13 18.3 . . . . . . . . 174 ALA CB . 27859 1 718 . 1 1 174 174 ALA N N 15 123.9 . . . . . . . . 174 ALA N . 27859 1 719 . 1 1 175 175 ASP H H 1 8.48 . . . . . . . . 175 ASP H . 27859 1 720 . 1 1 175 175 ASP C C 13 173.1 . . . . . . . . 175 ASP C . 27859 1 721 . 1 1 175 175 ASP CA C 13 52.8 . . . . . . . . 175 ASP CA . 27859 1 722 . 1 1 175 175 ASP CB C 13 37.8 . . . . . . . . 175 ASP CB . 27859 1 723 . 1 1 175 175 ASP N N 15 122.4 . . . . . . . . 175 ASP N . 27859 1 724 . 1 1 176 176 PHE H H 1 7.88 . . . . . . . . 176 PHE H . 27859 1 725 . 1 1 176 176 PHE C C 13 170.7 . . . . . . . . 176 PHE C . 27859 1 726 . 1 1 176 176 PHE CA C 13 54.7 . . . . . . . . 176 PHE CA . 27859 1 727 . 1 1 176 176 PHE CB C 13 36.1 . . . . . . . . 176 PHE CB . 27859 1 728 . 1 1 176 176 PHE N N 15 125.8 . . . . . . . . 176 PHE N . 27859 1 729 . 1 1 177 177 THR H H 1 7.97 . . . . . . . . 177 THR H . 27859 1 730 . 1 1 177 177 THR C C 13 171.8 . . . . . . . . 177 THR C . 27859 1 731 . 1 1 177 177 THR CA C 13 57.3 . . . . . . . . 177 THR CA . 27859 1 732 . 1 1 177 177 THR CB C 13 68 . . . . . . . . 177 THR CB . 27859 1 733 . 1 1 177 177 THR N N 15 115.4 . . . . . . . . 177 THR N . 27859 1 734 . 1 1 178 178 ASN H H 1 9.58 . . . . . . . . 178 ASN H . 27859 1 735 . 1 1 178 178 ASN C C 13 171.5 . . . . . . . . 178 ASN C . 27859 1 736 . 1 1 178 178 ASN CA C 13 51.4 . . . . . . . . 178 ASN CA . 27859 1 737 . 1 1 178 178 ASN CB C 13 33.9 . . . . . . . . 178 ASN CB . 27859 1 738 . 1 1 178 178 ASN N N 15 115.9 . . . . . . . . 178 ASN N . 27859 1 739 . 1 1 179 179 PHE H H 1 8.14 . . . . . . . . 179 PHE H . 27859 1 740 . 1 1 179 179 PHE C C 13 171.9 . . . . . . . . 179 PHE C . 27859 1 741 . 1 1 179 179 PHE CA C 13 55.3 . . . . . . . . 179 PHE CA . 27859 1 742 . 1 1 179 179 PHE CB C 13 37.6 . . . . . . . . 179 PHE CB . 27859 1 743 . 1 1 179 179 PHE N N 15 119.4 . . . . . . . . 179 PHE N . 27859 1 744 . 1 1 180 180 ASP H H 1 7.89 . . . . . . . . 180 ASP H . 27859 1 745 . 1 1 180 180 ASP C C 13 173.2 . . . . . . . . 180 ASP C . 27859 1 746 . 1 1 180 180 ASP CA C 13 46.6 . . . . . . . . 180 ASP CA . 27859 1 747 . 1 1 180 180 ASP CB C 13 37.9 . . . . . . . . 180 ASP CB . 27859 1 748 . 1 1 180 180 ASP N N 15 128.6 . . . . . . . . 180 ASP N . 27859 1 749 . 1 1 181 181 PRO C C 13 174.2 . . . . . . . . 181 PRO C . 27859 1 750 . 1 1 181 181 PRO CA C 13 60.9 . . . . . . . . 181 PRO CA . 27859 1 751 . 1 1 181 181 PRO CB C 13 27.7 . . . . . . . . 181 PRO CB . 27859 1 752 . 1 1 182 182 ARG H H 1 8.19 . . . . . . . . 182 ARG H . 27859 1 753 . 1 1 182 182 ARG C C 13 176.4 . . . . . . . . 182 ARG C . 27859 1 754 . 1 1 182 182 ARG CA C 13 56.2 . . . . . . . . 182 ARG CA . 27859 1 755 . 1 1 182 182 ARG CB C 13 25.7 . . . . . . . . 182 ARG CB . 27859 1 756 . 1 1 182 182 ARG N N 15 118.7 . . . . . . . . 182 ARG N . 27859 1 757 . 1 1 183 183 GLY H H 1 7.16 . . . . . . . . 183 GLY H . 27859 1 758 . 1 1 183 183 GLY C C 13 171.2 . . . . . . . . 183 GLY C . 27859 1 759 . 1 1 183 183 GLY CA C 13 42.8 . . . . . . . . 183 GLY CA . 27859 1 760 . 1 1 183 183 GLY N N 15 103.3 . . . . . . . . 183 GLY N . 27859 1 761 . 1 1 184 184 LEU H H 1 7.1 . . . . . . . . 184 LEU H . 27859 1 762 . 1 1 184 184 LEU C C 13 170.5 . . . . . . . . 184 LEU C . 27859 1 763 . 1 1 184 184 LEU CA C 13 50.6 . . . . . . . . 184 LEU CA . 27859 1 764 . 1 1 184 184 LEU CB C 13 38.1 . . . . . . . . 184 LEU CB . 27859 1 765 . 1 1 184 184 LEU N N 15 117.8 . . . . . . . . 184 LEU N . 27859 1 766 . 1 1 185 185 LEU H H 1 6.49 . . . . . . . . 185 LEU H . 27859 1 767 . 1 1 185 185 LEU C C 13 174.1 . . . . . . . . 185 LEU C . 27859 1 768 . 1 1 185 185 LEU CA C 13 49.7 . . . . . . . . 185 LEU CA . 27859 1 769 . 1 1 185 185 LEU CB C 13 37.7 . . . . . . . . 185 LEU CB . 27859 1 770 . 1 1 185 185 LEU N N 15 113.6 . . . . . . . . 185 LEU N . 27859 1 771 . 1 1 186 186 PRO C C 13 171.9 . . . . . . . . 186 PRO C . 27859 1 772 . 1 1 186 186 PRO CA C 13 59 . . . . . . . . 186 PRO CA . 27859 1 773 . 1 1 186 186 PRO CB C 13 28.7 . . . . . . . . 186 PRO CB . 27859 1 774 . 1 1 187 187 GLU H H 1 8.03 . . . . . . . . 187 GLU H . 27859 1 775 . 1 1 187 187 GLU C C 13 174.2 . . . . . . . . 187 GLU C . 27859 1 776 . 1 1 187 187 GLU CA C 13 55.4 . . . . . . . . 187 GLU CA . 27859 1 777 . 1 1 187 187 GLU CB C 13 26.3 . . . . . . . . 187 GLU CB . 27859 1 778 . 1 1 187 187 GLU N N 15 116.9 . . . . . . . . 187 GLU N . 27859 1 779 . 1 1 188 188 SER H H 1 7.5 . . . . . . . . 188 SER H . 27859 1 780 . 1 1 188 188 SER C C 13 173 . . . . . . . . 188 SER C . 27859 1 781 . 1 1 188 188 SER CA C 13 53.5 . . . . . . . . 188 SER CA . 27859 1 782 . 1 1 188 188 SER CB C 13 61 . . . . . . . . 188 SER CB . 27859 1 783 . 1 1 188 188 SER N N 15 111.9 . . . . . . . . 188 SER N . 27859 1 784 . 1 1 189 189 LEU H H 1 8.51 . . . . . . . . 189 LEU H . 27859 1 785 . 1 1 189 189 LEU C C 13 173.7 . . . . . . . . 189 LEU C . 27859 1 786 . 1 1 189 189 LEU CA C 13 50.3 . . . . . . . . 189 LEU CA . 27859 1 787 . 1 1 189 189 LEU CB C 13 37.1 . . . . . . . . 189 LEU CB . 27859 1 788 . 1 1 189 189 LEU N N 15 126.2 . . . . . . . . 189 LEU N . 27859 1 789 . 1 1 190 190 ASP H H 1 7.3 . . . . . . . . 190 ASP H . 27859 1 790 . 1 1 190 190 ASP C C 13 174.2 . . . . . . . . 190 ASP C . 27859 1 791 . 1 1 190 190 ASP CA C 13 52.7 . . . . . . . . 190 ASP CA . 27859 1 792 . 1 1 190 190 ASP CB C 13 36.9 . . . . . . . . 190 ASP CB . 27859 1 793 . 1 1 190 190 ASP N N 15 122.4 . . . . . . . . 190 ASP N . 27859 1 794 . 1 1 191 191 TYR H H 1 8.64 . . . . . . . . 191 TYR H . 27859 1 795 . 1 1 191 191 TYR C C 13 169.8 . . . . . . . . 191 TYR C . 27859 1 796 . 1 1 191 191 TYR CA C 13 53.8 . . . . . . . . 191 TYR CA . 27859 1 797 . 1 1 191 191 TYR CB C 13 39.8 . . . . . . . . 191 TYR CB . 27859 1 798 . 1 1 191 191 TYR N N 15 119.4 . . . . . . . . 191 TYR N . 27859 1 799 . 1 1 192 192 TRP H H 1 9.42 . . . . . . . . 192 TRP H . 27859 1 800 . 1 1 192 192 TRP C C 13 174.3 . . . . . . . . 192 TRP C . 27859 1 801 . 1 1 192 192 TRP CA C 13 54.7 . . . . . . . . 192 TRP CA . 27859 1 802 . 1 1 192 192 TRP CB C 13 27.9 . . . . . . . . 192 TRP CB . 27859 1 803 . 1 1 192 192 TRP N N 15 117.6 . . . . . . . . 192 TRP N . 27859 1 804 . 1 1 193 193 THR H H 1 9.57 . . . . . . . . 193 THR H . 27859 1 805 . 1 1 193 193 THR C C 13 168.1 . . . . . . . . 193 THR C . 27859 1 806 . 1 1 193 193 THR CA C 13 55.3 . . . . . . . . 193 THR CA . 27859 1 807 . 1 1 193 193 THR CB C 13 67.5 . . . . . . . . 193 THR CB . 27859 1 808 . 1 1 193 193 THR N N 15 115.6 . . . . . . . . 193 THR N . 27859 1 809 . 1 1 194 194 TYR H H 1 7.9 . . . . . . . . 194 TYR H . 27859 1 810 . 1 1 194 194 TYR C C 13 168.3 . . . . . . . . 194 TYR C . 27859 1 811 . 1 1 194 194 TYR CA C 13 53.2 . . . . . . . . 194 TYR CA . 27859 1 812 . 1 1 194 194 TYR CB C 13 36 . . . . . . . . 194 TYR CB . 27859 1 813 . 1 1 194 194 TYR N N 15 126 . . . . . . . . 194 TYR N . 27859 1 814 . 1 1 195 195 PRO C C 13 174.1 . . . . . . . . 195 PRO C . 27859 1 815 . 1 1 195 195 PRO CA C 13 58.6 . . . . . . . . 195 PRO CA . 27859 1 816 . 1 1 195 195 PRO CB C 13 27.8 . . . . . . . . 195 PRO CB . 27859 1 817 . 1 1 196 196 GLY H H 1 9.23 . . . . . . . . 196 GLY H . 27859 1 818 . 1 1 196 196 GLY C C 13 171.3 . . . . . . . . 196 GLY C . 27859 1 819 . 1 1 196 196 GLY CA C 13 43 . . . . . . . . 196 GLY CA . 27859 1 820 . 1 1 196 196 GLY N N 15 111.2 . . . . . . . . 196 GLY N . 27859 1 821 . 1 1 197 197 SER H H 1 8.56 . . . . . . . . 197 SER H . 27859 1 822 . 1 1 197 197 SER C C 13 173.2 . . . . . . . . 197 SER C . 27859 1 823 . 1 1 197 197 SER CA C 13 53.9 . . . . . . . . 197 SER CA . 27859 1 824 . 1 1 197 197 SER CB C 13 67.1 . . . . . . . . 197 SER CB . 27859 1 825 . 1 1 197 197 SER N N 15 120.5 . . . . . . . . 197 SER N . 27859 1 826 . 1 1 198 198 LEU H H 1 7.89 . . . . . . . . 198 LEU H . 27859 1 827 . 1 1 198 198 LEU C C 13 177.4 . . . . . . . . 198 LEU C . 27859 1 828 . 1 1 198 198 LEU CA C 13 52.3 . . . . . . . . 198 LEU CA . 27859 1 829 . 1 1 198 198 LEU CB C 13 39.9 . . . . . . . . 198 LEU CB . 27859 1 830 . 1 1 198 198 LEU N N 15 118.7 . . . . . . . . 198 LEU N . 27859 1 831 . 1 1 200 200 THR H H 1 6.84 . . . . . . . . 200 THR H . 27859 1 832 . 1 1 200 200 THR C C 13 169.2 . . . . . . . . 200 THR C . 27859 1 833 . 1 1 200 200 THR CA C 13 53.4 . . . . . . . . 200 THR CA . 27859 1 834 . 1 1 200 200 THR CB C 13 65.8 . . . . . . . . 200 THR CB . 27859 1 835 . 1 1 200 200 THR N N 15 109.2 . . . . . . . . 200 THR N . 27859 1 836 . 1 1 202 202 PRO C C 13 172.3 . . . . . . . . 202 PRO C . 27859 1 837 . 1 1 202 202 PRO CA C 13 61 . . . . . . . . 202 PRO CA . 27859 1 838 . 1 1 202 202 PRO CB C 13 30.2 . . . . . . . . 202 PRO CB . 27859 1 839 . 1 1 203 203 LEU H H 1 9.01 . . . . . . . . 203 LEU H . 27859 1 840 . 1 1 203 203 LEU C C 13 170.8 . . . . . . . . 203 LEU C . 27859 1 841 . 1 1 203 203 LEU CA C 13 53.9 . . . . . . . . 203 LEU CA . 27859 1 842 . 1 1 203 203 LEU CB C 13 33.4 . . . . . . . . 203 LEU CB . 27859 1 843 . 1 1 203 203 LEU N N 15 120.9 . . . . . . . . 203 LEU N . 27859 1 844 . 1 1 204 204 LEU H H 1 5.8 . . . . . . . . 204 LEU H . 27859 1 845 . 1 1 204 204 LEU C C 13 176.3 . . . . . . . . 204 LEU C . 27859 1 846 . 1 1 204 204 LEU CA C 13 52.3 . . . . . . . . 204 LEU CA . 27859 1 847 . 1 1 204 204 LEU CB C 13 37.9 . . . . . . . . 204 LEU CB . 27859 1 848 . 1 1 204 204 LEU N N 15 111.7 . . . . . . . . 204 LEU N . 27859 1 849 . 1 1 205 205 GLU H H 1 8.55 . . . . . . . . 205 GLU H . 27859 1 850 . 1 1 205 205 GLU C C 13 174.1 . . . . . . . . 205 GLU C . 27859 1 851 . 1 1 205 205 GLU CA C 13 52.8 . . . . . . . . 205 GLU CA . 27859 1 852 . 1 1 205 205 GLU CB C 13 22.9 . . . . . . . . 205 GLU CB . 27859 1 853 . 1 1 205 205 GLU N N 15 125.4 . . . . . . . . 205 GLU N . 27859 1 854 . 1 1 206 206 SER H H 1 7.34 . . . . . . . . 206 SER H . 27859 1 855 . 1 1 206 206 SER C C 13 170.7 . . . . . . . . 206 SER C . 27859 1 856 . 1 1 206 206 SER CA C 13 52.9 . . . . . . . . 206 SER CA . 27859 1 857 . 1 1 206 206 SER CB C 13 63.1 . . . . . . . . 206 SER CB . 27859 1 858 . 1 1 206 206 SER N N 15 114.1 . . . . . . . . 206 SER N . 27859 1 859 . 1 1 207 207 VAL H H 1 7.09 . . . . . . . . 207 VAL H . 27859 1 860 . 1 1 207 207 VAL C C 13 173.6 . . . . . . . . 207 VAL C . 27859 1 861 . 1 1 207 207 VAL CA C 13 58.3 . . . . . . . . 207 VAL CA . 27859 1 862 . 1 1 207 207 VAL CB C 13 32.2 . . . . . . . . 207 VAL CB . 27859 1 863 . 1 1 207 207 VAL N N 15 117.2 . . . . . . . . 207 VAL N . 27859 1 864 . 1 1 208 208 THR H H 1 8.22 . . . . . . . . 208 THR H . 27859 1 865 . 1 1 208 208 THR C C 13 170.3 . . . . . . . . 208 THR C . 27859 1 866 . 1 1 208 208 THR CA C 13 60.2 . . . . . . . . 208 THR CA . 27859 1 867 . 1 1 208 208 THR CB C 13 64.9 . . . . . . . . 208 THR CB . 27859 1 868 . 1 1 208 208 THR N N 15 125.8 . . . . . . . . 208 THR N . 27859 1 869 . 1 1 209 209 TRP H H 1 8.1 . . . . . . . . 209 TRP H . 27859 1 870 . 1 1 209 209 TRP C C 13 173.9 . . . . . . . . 209 TRP C . 27859 1 871 . 1 1 209 209 TRP CA C 13 55.5 . . . . . . . . 209 TRP CA . 27859 1 872 . 1 1 209 209 TRP CB C 13 27.7 . . . . . . . . 209 TRP CB . 27859 1 873 . 1 1 209 209 TRP N N 15 129.7 . . . . . . . . 209 TRP N . 27859 1 874 . 1 1 210 210 ILE H H 1 8.65 . . . . . . . . 210 ILE H . 27859 1 875 . 1 1 210 210 ILE C C 13 170.7 . . . . . . . . 210 ILE C . 27859 1 876 . 1 1 210 210 ILE CA C 13 58 . . . . . . . . 210 ILE CA . 27859 1 877 . 1 1 210 210 ILE CB C 13 35.9 . . . . . . . . 210 ILE CB . 27859 1 878 . 1 1 210 210 ILE N N 15 127.8 . . . . . . . . 210 ILE N . 27859 1 879 . 1 1 211 211 VAL H H 1 9.6 . . . . . . . . 211 VAL H . 27859 1 880 . 1 1 211 211 VAL C C 13 172.7 . . . . . . . . 211 VAL C . 27859 1 881 . 1 1 211 211 VAL CA C 13 58 . . . . . . . . 211 VAL CA . 27859 1 882 . 1 1 211 211 VAL CB C 13 30 . . . . . . . . 211 VAL CB . 27859 1 883 . 1 1 211 211 VAL N N 15 128.8 . . . . . . . . 211 VAL N . 27859 1 884 . 1 1 212 212 LEU H H 1 8.8 . . . . . . . . 212 LEU H . 27859 1 885 . 1 1 212 212 LEU C C 13 173.9 . . . . . . . . 212 LEU C . 27859 1 886 . 1 1 212 212 LEU CA C 13 52.2 . . . . . . . . 212 LEU CA . 27859 1 887 . 1 1 212 212 LEU CB C 13 36 . . . . . . . . 212 LEU CB . 27859 1 888 . 1 1 212 212 LEU N N 15 126.9 . . . . . . . . 212 LEU N . 27859 1 889 . 1 1 213 213 LYS H H 1 7.26 . . . . . . . . 213 LYS H . 27859 1 890 . 1 1 213 213 LYS C C 13 174.2 . . . . . . . . 213 LYS C . 27859 1 891 . 1 1 213 213 LYS CA C 13 54.5 . . . . . . . . 213 LYS CA . 27859 1 892 . 1 1 213 213 LYS CB C 13 28.9 . . . . . . . . 213 LYS CB . 27859 1 893 . 1 1 213 213 LYS N N 15 122.8 . . . . . . . . 213 LYS N . 27859 1 894 . 1 1 214 214 GLU H H 1 8.77 . . . . . . . . 214 GLU H . 27859 1 895 . 1 1 214 214 GLU C C 13 172.1 . . . . . . . . 214 GLU C . 27859 1 896 . 1 1 214 214 GLU CA C 13 50.4 . . . . . . . . 214 GLU CA . 27859 1 897 . 1 1 214 214 GLU CB C 13 27.2 . . . . . . . . 214 GLU CB . 27859 1 898 . 1 1 214 214 GLU N N 15 122.2 . . . . . . . . 214 GLU N . 27859 1 899 . 1 1 215 215 PRO C C 13 176.1 . . . . . . . . 215 PRO C . 27859 1 900 . 1 1 215 215 PRO CA C 13 58.6 . . . . . . . . 215 PRO CA . 27859 1 901 . 1 1 215 215 PRO CB C 13 29.7 . . . . . . . . 215 PRO CB . 27859 1 902 . 1 1 216 216 ILE H H 1 8.81 . . . . . . . . 216 ILE H . 27859 1 903 . 1 1 216 216 ILE C C 13 171.7 . . . . . . . . 216 ILE C . 27859 1 904 . 1 1 216 216 ILE CA C 13 56.9 . . . . . . . . 216 ILE CA . 27859 1 905 . 1 1 216 216 ILE CB C 13 37.4 . . . . . . . . 216 ILE CB . 27859 1 906 . 1 1 216 216 ILE N N 15 114 . . . . . . . . 216 ILE N . 27859 1 907 . 1 1 217 217 SER H H 1 7.95 . . . . . . . . 217 SER H . 27859 1 908 . 1 1 217 217 SER C C 13 170.1 . . . . . . . . 217 SER C . 27859 1 909 . 1 1 217 217 SER CA C 13 53.8 . . . . . . . . 217 SER CA . 27859 1 910 . 1 1 217 217 SER CB C 13 61.7 . . . . . . . . 217 SER CB . 27859 1 911 . 1 1 217 217 SER N N 15 117 . . . . . . . . 217 SER N . 27859 1 912 . 1 1 218 218 VAL H H 1 8.41 . . . . . . . . 218 VAL H . 27859 1 913 . 1 1 218 218 VAL C C 13 172 . . . . . . . . 218 VAL C . 27859 1 914 . 1 1 218 218 VAL CA C 13 55.7 . . . . . . . . 218 VAL CA . 27859 1 915 . 1 1 218 218 VAL CB C 13 30.3 . . . . . . . . 218 VAL CB . 27859 1 916 . 1 1 218 218 VAL N N 15 116.4 . . . . . . . . 218 VAL N . 27859 1 917 . 1 1 219 219 SER H H 1 8.28 . . . . . . . . 219 SER H . 27859 1 918 . 1 1 219 219 SER C C 13 174.1 . . . . . . . . 219 SER C . 27859 1 919 . 1 1 219 219 SER CA C 13 53.2 . . . . . . . . 219 SER CA . 27859 1 920 . 1 1 219 219 SER CB C 13 62.4 . . . . . . . . 219 SER CB . 27859 1 921 . 1 1 219 219 SER N N 15 116.4 . . . . . . . . 219 SER N . 27859 1 922 . 1 1 220 220 SER H H 1 9.17 . . . . . . . . 220 SER H . 27859 1 923 . 1 1 220 220 SER C C 13 174 . . . . . . . . 220 SER C . 27859 1 924 . 1 1 220 220 SER CA C 13 58.8 . . . . . . . . 220 SER CA . 27859 1 925 . 1 1 220 220 SER CB C 13 62.5 . . . . . . . . 220 SER CB . 27859 1 926 . 1 1 220 220 SER N N 15 117.7 . . . . . . . . 220 SER N . 27859 1 927 . 1 1 221 221 GLU H H 1 8.27 . . . . . . . . 221 GLU H . 27859 1 928 . 1 1 221 221 GLU C C 13 175.8 . . . . . . . . 221 GLU C . 27859 1 929 . 1 1 221 221 GLU CA C 13 56.6 . . . . . . . . 221 GLU CA . 27859 1 930 . 1 1 221 221 GLU CB C 13 25.8 . . . . . . . . 221 GLU CB . 27859 1 931 . 1 1 221 221 GLU N N 15 118.9 . . . . . . . . 221 GLU N . 27859 1 932 . 1 1 222 222 GLN H H 1 7.4 . . . . . . . . 222 GLN H . 27859 1 933 . 1 1 222 222 GLN C C 13 173.6 . . . . . . . . 222 GLN C . 27859 1 934 . 1 1 222 222 GLN CA C 13 56.3 . . . . . . . . 222 GLN CA . 27859 1 935 . 1 1 222 222 GLN CB C 13 24.8 . . . . . . . . 222 GLN CB . 27859 1 936 . 1 1 222 222 GLN N N 15 118.4 . . . . . . . . 222 GLN N . 27859 1 937 . 1 1 223 223 VAL H H 1 7.23 . . . . . . . . 223 VAL H . 27859 1 938 . 1 1 223 223 VAL C C 13 174.8 . . . . . . . . 223 VAL C . 27859 1 939 . 1 1 223 223 VAL CA C 13 61.4 . . . . . . . . 223 VAL CA . 27859 1 940 . 1 1 223 223 VAL CB C 13 27.9 . . . . . . . . 223 VAL CB . 27859 1 941 . 1 1 223 223 VAL N N 15 115.2 . . . . . . . . 223 VAL N . 27859 1 942 . 1 1 224 224 LEU H H 1 7.87 . . . . . . . . 224 LEU H . 27859 1 943 . 1 1 224 224 LEU C C 13 176.6 . . . . . . . . 224 LEU C . 27859 1 944 . 1 1 224 224 LEU CA C 13 55.1 . . . . . . . . 224 LEU CA . 27859 1 945 . 1 1 224 224 LEU CB C 13 37.9 . . . . . . . . 224 LEU CB . 27859 1 946 . 1 1 224 224 LEU N N 15 121.3 . . . . . . . . 224 LEU N . 27859 1 947 . 1 1 225 225 LYS H H 1 6.77 . . . . . . . . 225 LYS H . 27859 1 948 . 1 1 225 225 LYS C C 13 176.9 . . . . . . . . 225 LYS C . 27859 1 949 . 1 1 225 225 LYS CA C 13 55.2 . . . . . . . . 225 LYS CA . 27859 1 950 . 1 1 225 225 LYS CB C 13 27.8 . . . . . . . . 225 LYS CB . 27859 1 951 . 1 1 225 225 LYS N N 15 115.5 . . . . . . . . 225 LYS N . 27859 1 952 . 1 1 226 226 PHE H H 1 6.98 . . . . . . . . 226 PHE H . 27859 1 953 . 1 1 226 226 PHE C C 13 173.1 . . . . . . . . 226 PHE C . 27859 1 954 . 1 1 226 226 PHE CA C 13 55.5 . . . . . . . . 226 PHE CA . 27859 1 955 . 1 1 226 226 PHE CB C 13 30.2 . . . . . . . . 226 PHE CB . 27859 1 956 . 1 1 226 226 PHE N N 15 119.2 . . . . . . . . 226 PHE N . 27859 1 957 . 1 1 227 227 ARG H H 1 6.55 . . . . . . . . 227 ARG H . 27859 1 958 . 1 1 227 227 ARG C C 13 172.5 . . . . . . . . 227 ARG C . 27859 1 959 . 1 1 227 227 ARG CA C 13 53.9 . . . . . . . . 227 ARG CA . 27859 1 960 . 1 1 227 227 ARG CB C 13 26.1 . . . . . . . . 227 ARG CB . 27859 1 961 . 1 1 227 227 ARG N N 15 109.5 . . . . . . . . 227 ARG N . 27859 1 962 . 1 1 228 228 LYS H H 1 6.72 . . . . . . . . 228 LYS H . 27859 1 963 . 1 1 228 228 LYS C C 13 175.2 . . . . . . . . 228 LYS C . 27859 1 964 . 1 1 228 228 LYS CA C 13 52 . . . . . . . . 228 LYS CA . 27859 1 965 . 1 1 228 228 LYS CB C 13 29.2 . . . . . . . . 228 LYS CB . 27859 1 966 . 1 1 228 228 LYS N N 15 114.6 . . . . . . . . 228 LYS N . 27859 1 967 . 1 1 229 229 LEU H H 1 6.97 . . . . . . . . 229 LEU H . 27859 1 968 . 1 1 229 229 LEU C C 13 173.3 . . . . . . . . 229 LEU C . 27859 1 969 . 1 1 229 229 LEU CA C 13 52.6 . . . . . . . . 229 LEU CA . 27859 1 970 . 1 1 229 229 LEU CB C 13 40.2 . . . . . . . . 229 LEU CB . 27859 1 971 . 1 1 229 229 LEU N N 15 119.7 . . . . . . . . 229 LEU N . 27859 1 972 . 1 1 230 230 ASN H H 1 8.78 . . . . . . . . 230 ASN H . 27859 1 973 . 1 1 230 230 ASN C C 13 171.8 . . . . . . . . 230 ASN C . 27859 1 974 . 1 1 230 230 ASN CA C 13 48.8 . . . . . . . . 230 ASN CA . 27859 1 975 . 1 1 230 230 ASN CB C 13 38.1 . . . . . . . . 230 ASN CB . 27859 1 976 . 1 1 230 230 ASN N N 15 118.8 . . . . . . . . 230 ASN N . 27859 1 977 . 1 1 231 231 PHE H H 1 8.75 . . . . . . . . 231 PHE H . 27859 1 978 . 1 1 231 231 PHE C C 13 173.9 . . . . . . . . 231 PHE C . 27859 1 979 . 1 1 231 231 PHE CA C 13 56.2 . . . . . . . . 231 PHE CA . 27859 1 980 . 1 1 231 231 PHE CB C 13 37.7 . . . . . . . . 231 PHE CB . 27859 1 981 . 1 1 231 231 PHE N N 15 117.5 . . . . . . . . 231 PHE N . 27859 1 982 . 1 1 232 232 ASN H H 1 8.03 . . . . . . . . 232 ASN H . 27859 1 983 . 1 1 232 232 ASN C C 13 172.9 . . . . . . . . 232 ASN C . 27859 1 984 . 1 1 232 232 ASN CA C 13 50.1 . . . . . . . . 232 ASN CA . 27859 1 985 . 1 1 232 232 ASN CB C 13 37.8 . . . . . . . . 232 ASN CB . 27859 1 986 . 1 1 232 232 ASN N N 15 111 . . . . . . . . 232 ASN N . 27859 1 987 . 1 1 233 233 GLY H H 1 8.54 . . . . . . . . 233 GLY H . 27859 1 988 . 1 1 233 233 GLY C C 13 171.7 . . . . . . . . 233 GLY C . 27859 1 989 . 1 1 233 233 GLY CA C 13 40.9 . . . . . . . . 233 GLY CA . 27859 1 990 . 1 1 233 233 GLY N N 15 105.2 . . . . . . . . 233 GLY N . 27859 1 991 . 1 1 234 234 GLU H H 1 8.26 . . . . . . . . 234 GLU H . 27859 1 992 . 1 1 234 234 GLU C C 13 174.9 . . . . . . . . 234 GLU C . 27859 1 993 . 1 1 234 234 GLU CA C 13 54.9 . . . . . . . . 234 GLU CA . 27859 1 994 . 1 1 234 234 GLU CB C 13 26.1 . . . . . . . . 234 GLU CB . 27859 1 995 . 1 1 234 234 GLU N N 15 121.9 . . . . . . . . 234 GLU N . 27859 1 996 . 1 1 235 235 GLY H H 1 8.94 . . . . . . . . 235 GLY H . 27859 1 997 . 1 1 235 235 GLY C C 13 171 . . . . . . . . 235 GLY C . 27859 1 998 . 1 1 235 235 GLY CA C 13 42.1 . . . . . . . . 235 GLY CA . 27859 1 999 . 1 1 235 235 GLY N N 15 114.6 . . . . . . . . 235 GLY N . 27859 1 1000 . 1 1 236 236 GLU H H 1 7.23 . . . . . . . . 236 GLU H . 27859 1 1001 . 1 1 236 236 GLU C C 13 170.6 . . . . . . . . 236 GLU C . 27859 1 1002 . 1 1 236 236 GLU CA C 13 50.6 . . . . . . . . 236 GLU CA . 27859 1 1003 . 1 1 236 236 GLU CB C 13 26.5 . . . . . . . . 236 GLU CB . 27859 1 1004 . 1 1 236 236 GLU N N 15 120.5 . . . . . . . . 236 GLU N . 27859 1 1005 . 1 1 237 237 PRO C C 13 173.8 . . . . . . . . 237 PRO C . 27859 1 1006 . 1 1 237 237 PRO CA C 13 60.1 . . . . . . . . 237 PRO CA . 27859 1 1007 . 1 1 238 238 GLU H H 1 8.12 . . . . . . . . 238 GLU H . 27859 1 1008 . 1 1 238 238 GLU C C 13 174.1 . . . . . . . . 238 GLU C . 27859 1 1009 . 1 1 238 238 GLU CA C 13 54.8 . . . . . . . . 238 GLU CA . 27859 1 1010 . 1 1 238 238 GLU CB C 13 27.4 . . . . . . . . 238 GLU CB . 27859 1 1011 . 1 1 238 238 GLU N N 15 123.7 . . . . . . . . 238 GLU N . 27859 1 1012 . 1 1 239 239 GLU H H 1 8.89 . . . . . . . . 239 GLU H . 27859 1 1013 . 1 1 239 239 GLU C C 13 172.5 . . . . . . . . 239 GLU C . 27859 1 1014 . 1 1 239 239 GLU CA C 13 52.2 . . . . . . . . 239 GLU CA . 27859 1 1015 . 1 1 239 239 GLU CB C 13 29.5 . . . . . . . . 239 GLU CB . 27859 1 1016 . 1 1 239 239 GLU N N 15 130.3 . . . . . . . . 239 GLU N . 27859 1 1017 . 1 1 240 240 LEU H H 1 8.62 . . . . . . . . 240 LEU H . 27859 1 1018 . 1 1 240 240 LEU C C 13 173.1 . . . . . . . . 240 LEU C . 27859 1 1019 . 1 1 240 240 LEU CA C 13 53 . . . . . . . . 240 LEU CA . 27859 1 1020 . 1 1 240 240 LEU CB C 13 38 . . . . . . . . 240 LEU CB . 27859 1 1021 . 1 1 240 240 LEU N N 15 126.3 . . . . . . . . 240 LEU N . 27859 1 1022 . 1 1 241 241 MET H H 1 8.5 . . . . . . . . 241 MET H . 27859 1 1023 . 1 1 241 241 MET C C 13 168.3 . . . . . . . . 241 MET C . 27859 1 1024 . 1 1 241 241 MET CA C 13 50.9 . . . . . . . . 241 MET CA . 27859 1 1025 . 1 1 241 241 MET CB C 13 28.3 . . . . . . . . 241 MET CB . 27859 1 1026 . 1 1 241 241 MET N N 15 123.5 . . . . . . . . 241 MET N . 27859 1 1027 . 1 1 242 242 VAL H H 1 6.59 . . . . . . . . 242 VAL H . 27859 1 1028 . 1 1 242 242 VAL C C 13 171.7 . . . . . . . . 242 VAL C . 27859 1 1029 . 1 1 242 242 VAL CA C 13 56 . . . . . . . . 242 VAL CA . 27859 1 1030 . 1 1 242 242 VAL CB C 13 34.1 . . . . . . . . 242 VAL CB . 27859 1 1031 . 1 1 242 242 VAL N N 15 115.4 . . . . . . . . 242 VAL N . 27859 1 1032 . 1 1 243 243 ASP H H 1 7.01 . . . . . . . . 243 ASP H . 27859 1 1033 . 1 1 243 243 ASP C C 13 172.2 . . . . . . . . 243 ASP C . 27859 1 1034 . 1 1 243 243 ASP CA C 13 53.3 . . . . . . . . 243 ASP CA . 27859 1 1035 . 1 1 243 243 ASP CB C 13 34.8 . . . . . . . . 243 ASP CB . 27859 1 1036 . 1 1 243 243 ASP N N 15 115.2 . . . . . . . . 243 ASP N . 27859 1 1037 . 1 1 244 244 ASN H H 1 8.26 . . . . . . . . 244 ASN H . 27859 1 1038 . 1 1 244 244 ASN C C 13 170.4 . . . . . . . . 244 ASN C . 27859 1 1039 . 1 1 244 244 ASN CA C 13 47.5 . . . . . . . . 244 ASN CA . 27859 1 1040 . 1 1 244 244 ASN CB C 13 32.4 . . . . . . . . 244 ASN CB . 27859 1 1041 . 1 1 244 244 ASN N N 15 119.8 . . . . . . . . 244 ASN N . 27859 1 1042 . 1 1 245 245 TRP H H 1 6.35 . . . . . . . . 245 TRP H . 27859 1 1043 . 1 1 245 245 TRP C C 13 170.2 . . . . . . . . 245 TRP C . 27859 1 1044 . 1 1 245 245 TRP CA C 13 47.9 . . . . . . . . 245 TRP CA . 27859 1 1045 . 1 1 245 245 TRP CB C 13 29.3 . . . . . . . . 245 TRP CB . 27859 1 1046 . 1 1 245 245 TRP N N 15 114.7 . . . . . . . . 245 TRP N . 27859 1 1047 . 1 1 246 246 ARG H H 1 10.29 . . . . . . . . 246 ARG H . 27859 1 1048 . 1 1 246 246 ARG C C 13 171.1 . . . . . . . . 246 ARG C . 27859 1 1049 . 1 1 246 246 ARG CA C 13 49.5 . . . . . . . . 246 ARG CA . 27859 1 1050 . 1 1 246 246 ARG CB C 13 29.1 . . . . . . . . 246 ARG CB . 27859 1 1051 . 1 1 246 246 ARG N N 15 127.3 . . . . . . . . 246 ARG N . 27859 1 1052 . 1 1 247 247 PRO C C 13 173.3 . . . . . . . . 247 PRO C . 27859 1 1053 . 1 1 247 247 PRO CA C 13 58.7 . . . . . . . . 247 PRO CA . 27859 1 1054 . 1 1 247 247 PRO CB C 13 29.4 . . . . . . . . 247 PRO CB . 27859 1 1055 . 1 1 248 248 ALA H H 1 7.86 . . . . . . . . 248 ALA H . 27859 1 1056 . 1 1 248 248 ALA C C 13 174.3 . . . . . . . . 248 ALA C . 27859 1 1057 . 1 1 248 248 ALA CA C 13 50.3 . . . . . . . . 248 ALA CA . 27859 1 1058 . 1 1 248 248 ALA CB C 13 14.9 . . . . . . . . 248 ALA CB . 27859 1 1059 . 1 1 248 248 ALA N N 15 120.7 . . . . . . . . 248 ALA N . 27859 1 1060 . 1 1 249 249 GLN H H 1 8.58 . . . . . . . . 249 GLN H . 27859 1 1061 . 1 1 249 249 GLN C C 13 170.1 . . . . . . . . 249 GLN C . 27859 1 1062 . 1 1 249 249 GLN CA C 13 48.5 . . . . . . . . 249 GLN CA . 27859 1 1063 . 1 1 249 249 GLN CB C 13 24.9 . . . . . . . . 249 GLN CB . 27859 1 1064 . 1 1 249 249 GLN N N 15 122.5 . . . . . . . . 249 GLN N . 27859 1 1065 . 1 1 250 250 PRO C C 13 174.6 . . . . . . . . 250 PRO C . 27859 1 1066 . 1 1 250 250 PRO CA C 13 59.5 . . . . . . . . 250 PRO CA . 27859 1 1067 . 1 1 250 250 PRO CB C 13 28 . . . . . . . . 250 PRO CB . 27859 1 1068 . 1 1 251 251 LEU H H 1 8.55 . . . . . . . . 251 LEU H . 27859 1 1069 . 1 1 251 251 LEU C C 13 176 . . . . . . . . 251 LEU C . 27859 1 1070 . 1 1 251 251 LEU CA C 13 54.1 . . . . . . . . 251 LEU CA . 27859 1 1071 . 1 1 251 251 LEU CB C 13 38.6 . . . . . . . . 251 LEU CB . 27859 1 1072 . 1 1 251 251 LEU N N 15 126.3 . . . . . . . . 251 LEU N . 27859 1 1073 . 1 1 252 252 LYS H H 1 8.74 . . . . . . . . 252 LYS H . 27859 1 1074 . 1 1 252 252 LYS C C 13 174 . . . . . . . . 252 LYS C . 27859 1 1075 . 1 1 252 252 LYS CA C 13 54.4 . . . . . . . . 252 LYS CA . 27859 1 1076 . 1 1 252 252 LYS CB C 13 25.9 . . . . . . . . 252 LYS CB . 27859 1 1077 . 1 1 252 252 LYS N N 15 115.1 . . . . . . . . 252 LYS N . 27859 1 1078 . 1 1 253 253 ASN H H 1 8.57 . . . . . . . . 253 ASN H . 27859 1 1079 . 1 1 253 253 ASN C C 13 172.2 . . . . . . . . 253 ASN C . 27859 1 1080 . 1 1 253 253 ASN CA C 13 50.6 . . . . . . . . 253 ASN CA . 27859 1 1081 . 1 1 253 253 ASN CB C 13 34.7 . . . . . . . . 253 ASN CB . 27859 1 1082 . 1 1 253 253 ASN N N 15 120.2 . . . . . . . . 253 ASN N . 27859 1 1083 . 1 1 254 254 ARG H H 1 7.17 . . . . . . . . 254 ARG H . 27859 1 1084 . 1 1 254 254 ARG C C 13 171.7 . . . . . . . . 254 ARG C . 27859 1 1085 . 1 1 254 254 ARG CA C 13 52.9 . . . . . . . . 254 ARG CA . 27859 1 1086 . 1 1 254 254 ARG CB C 13 30.8 . . . . . . . . 254 ARG CB . 27859 1 1087 . 1 1 254 254 ARG N N 15 119.1 . . . . . . . . 254 ARG N . 27859 1 1088 . 1 1 255 255 GLN H H 1 8.46 . . . . . . . . 255 GLN H . 27859 1 1089 . 1 1 255 255 GLN C C 13 172 . . . . . . . . 255 GLN C . 27859 1 1090 . 1 1 255 255 GLN CA C 13 51.2 . . . . . . . . 255 GLN CA . 27859 1 1091 . 1 1 255 255 GLN CB C 13 28 . . . . . . . . 255 GLN CB . 27859 1 1092 . 1 1 255 255 GLN N N 15 118.7 . . . . . . . . 255 GLN N . 27859 1 1093 . 1 1 256 256 ILE H H 1 8.79 . . . . . . . . 256 ILE H . 27859 1 1094 . 1 1 256 256 ILE C C 13 173.5 . . . . . . . . 256 ILE C . 27859 1 1095 . 1 1 256 256 ILE CA C 13 58 . . . . . . . . 256 ILE CA . 27859 1 1096 . 1 1 256 256 ILE CB C 13 34.1 . . . . . . . . 256 ILE CB . 27859 1 1097 . 1 1 256 256 ILE N N 15 124.8 . . . . . . . . 256 ILE N . 27859 1 1098 . 1 1 257 257 LYS H H 1 8.66 . . . . . . . . 257 LYS H . 27859 1 1099 . 1 1 257 257 LYS C C 13 172.4 . . . . . . . . 257 LYS C . 27859 1 1100 . 1 1 257 257 LYS CA C 13 51.3 . . . . . . . . 257 LYS CA . 27859 1 1101 . 1 1 257 257 LYS CB C 13 32.5 . . . . . . . . 257 LYS CB . 27859 1 1102 . 1 1 257 257 LYS N N 15 127 . . . . . . . . 257 LYS N . 27859 1 1103 . 1 1 258 258 ALA H H 1 8.23 . . . . . . . . 258 ALA H . 27859 1 1104 . 1 1 258 258 ALA C C 13 173.7 . . . . . . . . 258 ALA C . 27859 1 1105 . 1 1 258 258 ALA CA C 13 46.3 . . . . . . . . 258 ALA CA . 27859 1 1106 . 1 1 258 258 ALA CB C 13 18.7 . . . . . . . . 258 ALA CB . 27859 1 1107 . 1 1 258 258 ALA N N 15 124 . . . . . . . . 258 ALA N . 27859 1 1108 . 1 1 259 259 SER H H 1 8.84 . . . . . . . . 259 SER H . 27859 1 1109 . 1 1 259 259 SER C C 13 169.4 . . . . . . . . 259 SER C . 27859 1 1110 . 1 1 259 259 SER CA C 13 55.7 . . . . . . . . 259 SER CA . 27859 1 1111 . 1 1 259 259 SER CB C 13 60.4 . . . . . . . . 259 SER CB . 27859 1 1112 . 1 1 259 259 SER N N 15 116.9 . . . . . . . . 259 SER N . 27859 1 1113 . 1 1 260 260 PHE H H 1 6.51 . . . . . . . . 260 PHE H . 27859 1 1114 . 1 1 260 260 PHE C C 13 168.4 . . . . . . . . 260 PHE C . 27859 1 1115 . 1 1 260 260 PHE CA C 13 50.3 . . . . . . . . 260 PHE CA . 27859 1 1116 . 1 1 260 260 PHE CB C 13 38.7 . . . . . . . . 260 PHE CB . 27859 1 1117 . 1 1 260 260 PHE N N 15 118.4 . . . . . . . . 260 PHE N . 27859 1 1118 . 1 1 261 261 LYS H H 1 7.62 . . . . . . . . 261 LYS H . 27859 1 1119 . 1 1 261 261 LYS C C 13 178.7 . . . . . . . . 261 LYS C . 27859 1 1120 . 1 1 261 261 LYS CA C 13 54 . . . . . . . . 261 LYS CA . 27859 1 1121 . 1 1 261 261 LYS CB C 13 30 . . . . . . . . 261 LYS CB . 27859 1 1122 . 1 1 261 261 LYS N N 15 124.9 . . . . . . . . 261 LYS N . 27859 1 stop_ save_