data_50777 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50777 _Entry.Title ; Chemical Shift Assignments of OXA-24/40 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-18 _Entry.Accession_date 2021-02-18 _Entry.Last_release_date 2021-02-18 _Entry.Original_release_date 2021-02-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _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 . _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 Michael Staude . . . . 50777 2 Jamie VanPelt . . . . 50777 3 Jeffrey Peng . . . . 50777 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50777 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 644 50777 '15N chemical shifts' 231 50777 '1H chemical shifts' 231 50777 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 . . 2021-08-17 2021-02-18 update BMRB 'update entry citation' 50777 1 . . 2021-07-12 2021-02-18 original author 'original release' 50777 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50777 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34271009 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Arginine Modulates Carbapenem Deactivation by OXA-24/40 in Acinetobacter baumannii ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 433 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 167150 _Citation.Page_last 167150 _Citation.Year 2021 _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 Jamie VanPelt J. . . . 50777 1 2 Shannon Stoffel S. . . . 50777 1 3 Michael Staude M. W. . . 50777 1 4 Kayla Dempster K. . . . 50777 1 5 Heath Rose H. A. . . 50777 1 6 Sarah Graney S. . . . 50777 1 7 Erin Graney E. . . . 50777 1 8 Sara Braynard S. . . . 50777 1 9 Elizaveta Kovrigina E. . . . 50777 1 10 David Leonard D. A. . . 50777 1 11 Jeffrey Peng J. W. . . 50777 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50777 _Assembly.ID 1 _Assembly.Name OXA-24/40 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 28790.13 _Assembly.Enzyme_commission_number . _Assembly.Details . _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 OXA-24/40 1 $entity_1 . . yes native no no . . . 50777 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Beta-lactamase, enzyme, hydrolysis' 50777 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50777 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; KTKSEDNFHISSQQHEKAIK SYFDEAQTQGVIIIKEGKNL STYGNALARANKEYVPASTF KMLNALIGLENHKATTNEIF KWDGKKRTYPMWEKDMTLGE AMALSAVPVYQELARRTGLE LMQKEVKRVNFGNTNIGTQV DNFWLVGPLKITPVQEVNFA DDLAHNRLPFKLETQEEVKK MLLIKEVNGSKIYAKSGWGM GVTPQVGWLTGWVEQANGKK IPFSLNLEMKEGMSGSIRNE ITYKSLENLGII ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Construct starts at residue 24 (Lys)' _Entity.Ambiguous_conformational_states yes _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 252 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 24 LYS . 50777 1 2 25 THR . 50777 1 3 26 LYS . 50777 1 4 27 SER . 50777 1 5 28 GLU . 50777 1 6 29 ASP . 50777 1 7 30 ASN . 50777 1 8 31 PHE . 50777 1 9 32 HIS . 50777 1 10 33 ILE . 50777 1 11 34 SER . 50777 1 12 35 SER . 50777 1 13 36 GLN . 50777 1 14 37 GLN . 50777 1 15 38 HIS . 50777 1 16 39 GLU . 50777 1 17 40 LYS . 50777 1 18 41 ALA . 50777 1 19 42 ILE . 50777 1 20 43 LYS . 50777 1 21 44 SER . 50777 1 22 45 TYR . 50777 1 23 46 PHE . 50777 1 24 47 ASP . 50777 1 25 48 GLU . 50777 1 26 49 ALA . 50777 1 27 50 GLN . 50777 1 28 51 THR . 50777 1 29 52 GLN . 50777 1 30 53 GLY . 50777 1 31 54 VAL . 50777 1 32 55 ILE . 50777 1 33 56 ILE . 50777 1 34 57 ILE . 50777 1 35 58 LYS . 50777 1 36 59 GLU . 50777 1 37 60 GLY . 50777 1 38 61 LYS . 50777 1 39 62 ASN . 50777 1 40 63 LEU . 50777 1 41 64 SER . 50777 1 42 65 THR . 50777 1 43 66 TYR . 50777 1 44 67 GLY . 50777 1 45 68 ASN . 50777 1 46 69 ALA . 50777 1 47 70 LEU . 50777 1 48 71 ALA . 50777 1 49 72 ARG . 50777 1 50 73 ALA . 50777 1 51 74 ASN . 50777 1 52 75 LYS . 50777 1 53 76 GLU . 50777 1 54 77 TYR . 50777 1 55 78 VAL . 50777 1 56 79 PRO . 50777 1 57 80 ALA . 50777 1 58 81 SER . 50777 1 59 82 THR . 50777 1 60 83 PHE . 50777 1 61 84 LYS . 50777 1 62 85 MET . 50777 1 63 86 LEU . 50777 1 64 87 ASN . 50777 1 65 88 ALA . 50777 1 66 89 LEU . 50777 1 67 90 ILE . 50777 1 68 91 GLY . 50777 1 69 92 LEU . 50777 1 70 93 GLU . 50777 1 71 94 ASN . 50777 1 72 95 HIS . 50777 1 73 96 LYS . 50777 1 74 97 ALA . 50777 1 75 98 THR . 50777 1 76 99 THR . 50777 1 77 100 ASN . 50777 1 78 101 GLU . 50777 1 79 102 ILE . 50777 1 80 103 PHE . 50777 1 81 104 LYS . 50777 1 82 105 TRP . 50777 1 83 106 ASP . 50777 1 84 107 GLY . 50777 1 85 108 LYS . 50777 1 86 109 LYS . 50777 1 87 110 ARG . 50777 1 88 111 THR . 50777 1 89 112 TYR . 50777 1 90 113 PRO . 50777 1 91 114 MET . 50777 1 92 115 TRP . 50777 1 93 116 GLU . 50777 1 94 117 LYS . 50777 1 95 118 ASP . 50777 1 96 119 MET . 50777 1 97 120 THR . 50777 1 98 121 LEU . 50777 1 99 122 GLY . 50777 1 100 123 GLU . 50777 1 101 124 ALA . 50777 1 102 125 MET . 50777 1 103 126 ALA . 50777 1 104 127 LEU . 50777 1 105 128 SER . 50777 1 106 129 ALA . 50777 1 107 130 VAL . 50777 1 108 131 PRO . 50777 1 109 132 VAL . 50777 1 110 133 TYR . 50777 1 111 134 GLN . 50777 1 112 135 GLU . 50777 1 113 136 LEU . 50777 1 114 137 ALA . 50777 1 115 138 ARG . 50777 1 116 139 ARG . 50777 1 117 140 THR . 50777 1 118 141 GLY . 50777 1 119 142 LEU . 50777 1 120 143 GLU . 50777 1 121 144 LEU . 50777 1 122 145 MET . 50777 1 123 146 GLN . 50777 1 124 147 LYS . 50777 1 125 148 GLU . 50777 1 126 149 VAL . 50777 1 127 150 LYS . 50777 1 128 151 ARG . 50777 1 129 152 VAL . 50777 1 130 153 ASN . 50777 1 131 154 PHE . 50777 1 132 155 GLY . 50777 1 133 156 ASN . 50777 1 134 157 THR . 50777 1 135 158 ASN . 50777 1 136 159 ILE . 50777 1 137 160 GLY . 50777 1 138 161 THR . 50777 1 139 162 GLN . 50777 1 140 163 VAL . 50777 1 141 164 ASP . 50777 1 142 165 ASN . 50777 1 143 166 PHE . 50777 1 144 167 TRP . 50777 1 145 168 LEU . 50777 1 146 169 VAL . 50777 1 147 170 GLY . 50777 1 148 171 PRO . 50777 1 149 172 LEU . 50777 1 150 173 LYS . 50777 1 151 174 ILE . 50777 1 152 175 THR . 50777 1 153 176 PRO . 50777 1 154 177 VAL . 50777 1 155 178 GLN . 50777 1 156 179 GLU . 50777 1 157 180 VAL . 50777 1 158 181 ASN . 50777 1 159 182 PHE . 50777 1 160 183 ALA . 50777 1 161 184 ASP . 50777 1 162 185 ASP . 50777 1 163 186 LEU . 50777 1 164 187 ALA . 50777 1 165 188 HIS . 50777 1 166 189 ASN . 50777 1 167 190 ARG . 50777 1 168 191 LEU . 50777 1 169 192 PRO . 50777 1 170 193 PHE . 50777 1 171 194 LYS . 50777 1 172 195 LEU . 50777 1 173 196 GLU . 50777 1 174 197 THR . 50777 1 175 198 GLN . 50777 1 176 199 GLU . 50777 1 177 200 GLU . 50777 1 178 201 VAL . 50777 1 179 202 LYS . 50777 1 180 203 LYS . 50777 1 181 204 MET . 50777 1 182 205 LEU . 50777 1 183 206 LEU . 50777 1 184 207 ILE . 50777 1 185 208 LYS . 50777 1 186 209 GLU . 50777 1 187 210 VAL . 50777 1 188 211 ASN . 50777 1 189 212 GLY . 50777 1 190 213 SER . 50777 1 191 214 LYS . 50777 1 192 215 ILE . 50777 1 193 216 TYR . 50777 1 194 217 ALA . 50777 1 195 218 LYS . 50777 1 196 219 SER . 50777 1 197 220 GLY . 50777 1 198 221 TRP . 50777 1 199 222 GLY . 50777 1 200 223 MET . 50777 1 201 224 GLY . 50777 1 202 225 VAL . 50777 1 203 226 THR . 50777 1 204 227 PRO . 50777 1 205 228 GLN . 50777 1 206 229 VAL . 50777 1 207 230 GLY . 50777 1 208 231 TRP . 50777 1 209 232 LEU . 50777 1 210 233 THR . 50777 1 211 234 GLY . 50777 1 212 235 TRP . 50777 1 213 236 VAL . 50777 1 214 237 GLU . 50777 1 215 238 GLN . 50777 1 216 239 ALA . 50777 1 217 240 ASN . 50777 1 218 241 GLY . 50777 1 219 242 LYS . 50777 1 220 243 LYS . 50777 1 221 244 ILE . 50777 1 222 245 PRO . 50777 1 223 246 PHE . 50777 1 224 247 SER . 50777 1 225 248 LEU . 50777 1 226 249 ASN . 50777 1 227 250 LEU . 50777 1 228 251 GLU . 50777 1 229 252 MET . 50777 1 230 253 LYS . 50777 1 231 254 GLU . 50777 1 232 255 GLY . 50777 1 233 256 MET . 50777 1 234 257 SER . 50777 1 235 258 GLY . 50777 1 236 259 SER . 50777 1 237 260 ILE . 50777 1 238 261 ARG . 50777 1 239 262 ASN . 50777 1 240 263 GLU . 50777 1 241 264 ILE . 50777 1 242 265 THR . 50777 1 243 266 TYR . 50777 1 244 267 LYS . 50777 1 245 268 SER . 50777 1 246 269 LEU . 50777 1 247 270 GLU . 50777 1 248 271 ASN . 50777 1 249 272 LEU . 50777 1 250 273 GLY . 50777 1 251 274 ILE . 50777 1 252 275 ILE . 50777 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 . LYS 1 1 50777 1 . THR 2 2 50777 1 . LYS 3 3 50777 1 . SER 4 4 50777 1 . GLU 5 5 50777 1 . ASP 6 6 50777 1 . ASN 7 7 50777 1 . PHE 8 8 50777 1 . HIS 9 9 50777 1 . ILE 10 10 50777 1 . SER 11 11 50777 1 . SER 12 12 50777 1 . GLN 13 13 50777 1 . GLN 14 14 50777 1 . HIS 15 15 50777 1 . GLU 16 16 50777 1 . LYS 17 17 50777 1 . ALA 18 18 50777 1 . ILE 19 19 50777 1 . LYS 20 20 50777 1 . SER 21 21 50777 1 . TYR 22 22 50777 1 . PHE 23 23 50777 1 . ASP 24 24 50777 1 . GLU 25 25 50777 1 . ALA 26 26 50777 1 . GLN 27 27 50777 1 . THR 28 28 50777 1 . GLN 29 29 50777 1 . GLY 30 30 50777 1 . VAL 31 31 50777 1 . ILE 32 32 50777 1 . ILE 33 33 50777 1 . ILE 34 34 50777 1 . LYS 35 35 50777 1 . GLU 36 36 50777 1 . GLY 37 37 50777 1 . LYS 38 38 50777 1 . ASN 39 39 50777 1 . LEU 40 40 50777 1 . SER 41 41 50777 1 . THR 42 42 50777 1 . TYR 43 43 50777 1 . GLY 44 44 50777 1 . ASN 45 45 50777 1 . ALA 46 46 50777 1 . LEU 47 47 50777 1 . ALA 48 48 50777 1 . ARG 49 49 50777 1 . ALA 50 50 50777 1 . ASN 51 51 50777 1 . LYS 52 52 50777 1 . GLU 53 53 50777 1 . TYR 54 54 50777 1 . VAL 55 55 50777 1 . PRO 56 56 50777 1 . ALA 57 57 50777 1 . SER 58 58 50777 1 . THR 59 59 50777 1 . PHE 60 60 50777 1 . LYS 61 61 50777 1 . MET 62 62 50777 1 . LEU 63 63 50777 1 . ASN 64 64 50777 1 . ALA 65 65 50777 1 . LEU 66 66 50777 1 . ILE 67 67 50777 1 . GLY 68 68 50777 1 . LEU 69 69 50777 1 . GLU 70 70 50777 1 . ASN 71 71 50777 1 . HIS 72 72 50777 1 . LYS 73 73 50777 1 . ALA 74 74 50777 1 . THR 75 75 50777 1 . THR 76 76 50777 1 . ASN 77 77 50777 1 . GLU 78 78 50777 1 . ILE 79 79 50777 1 . PHE 80 80 50777 1 . LYS 81 81 50777 1 . TRP 82 82 50777 1 . ASP 83 83 50777 1 . GLY 84 84 50777 1 . LYS 85 85 50777 1 . LYS 86 86 50777 1 . ARG 87 87 50777 1 . THR 88 88 50777 1 . TYR 89 89 50777 1 . PRO 90 90 50777 1 . MET 91 91 50777 1 . TRP 92 92 50777 1 . GLU 93 93 50777 1 . LYS 94 94 50777 1 . ASP 95 95 50777 1 . MET 96 96 50777 1 . THR 97 97 50777 1 . LEU 98 98 50777 1 . GLY 99 99 50777 1 . GLU 100 100 50777 1 . ALA 101 101 50777 1 . MET 102 102 50777 1 . ALA 103 103 50777 1 . LEU 104 104 50777 1 . SER 105 105 50777 1 . ALA 106 106 50777 1 . VAL 107 107 50777 1 . PRO 108 108 50777 1 . VAL 109 109 50777 1 . TYR 110 110 50777 1 . GLN 111 111 50777 1 . GLU 112 112 50777 1 . LEU 113 113 50777 1 . ALA 114 114 50777 1 . ARG 115 115 50777 1 . ARG 116 116 50777 1 . THR 117 117 50777 1 . GLY 118 118 50777 1 . LEU 119 119 50777 1 . GLU 120 120 50777 1 . LEU 121 121 50777 1 . MET 122 122 50777 1 . GLN 123 123 50777 1 . LYS 124 124 50777 1 . GLU 125 125 50777 1 . VAL 126 126 50777 1 . LYS 127 127 50777 1 . ARG 128 128 50777 1 . VAL 129 129 50777 1 . ASN 130 130 50777 1 . PHE 131 131 50777 1 . GLY 132 132 50777 1 . ASN 133 133 50777 1 . THR 134 134 50777 1 . ASN 135 135 50777 1 . ILE 136 136 50777 1 . GLY 137 137 50777 1 . THR 138 138 50777 1 . GLN 139 139 50777 1 . VAL 140 140 50777 1 . ASP 141 141 50777 1 . ASN 142 142 50777 1 . PHE 143 143 50777 1 . TRP 144 144 50777 1 . LEU 145 145 50777 1 . VAL 146 146 50777 1 . GLY 147 147 50777 1 . PRO 148 148 50777 1 . LEU 149 149 50777 1 . LYS 150 150 50777 1 . ILE 151 151 50777 1 . THR 152 152 50777 1 . PRO 153 153 50777 1 . VAL 154 154 50777 1 . GLN 155 155 50777 1 . GLU 156 156 50777 1 . VAL 157 157 50777 1 . ASN 158 158 50777 1 . PHE 159 159 50777 1 . ALA 160 160 50777 1 . ASP 161 161 50777 1 . ASP 162 162 50777 1 . LEU 163 163 50777 1 . ALA 164 164 50777 1 . HIS 165 165 50777 1 . ASN 166 166 50777 1 . ARG 167 167 50777 1 . LEU 168 168 50777 1 . PRO 169 169 50777 1 . PHE 170 170 50777 1 . LYS 171 171 50777 1 . LEU 172 172 50777 1 . GLU 173 173 50777 1 . THR 174 174 50777 1 . GLN 175 175 50777 1 . GLU 176 176 50777 1 . GLU 177 177 50777 1 . VAL 178 178 50777 1 . LYS 179 179 50777 1 . LYS 180 180 50777 1 . MET 181 181 50777 1 . LEU 182 182 50777 1 . LEU 183 183 50777 1 . ILE 184 184 50777 1 . LYS 185 185 50777 1 . GLU 186 186 50777 1 . VAL 187 187 50777 1 . ASN 188 188 50777 1 . GLY 189 189 50777 1 . SER 190 190 50777 1 . LYS 191 191 50777 1 . ILE 192 192 50777 1 . TYR 193 193 50777 1 . ALA 194 194 50777 1 . LYS 195 195 50777 1 . SER 196 196 50777 1 . GLY 197 197 50777 1 . TRP 198 198 50777 1 . GLY 199 199 50777 1 . MET 200 200 50777 1 . GLY 201 201 50777 1 . VAL 202 202 50777 1 . THR 203 203 50777 1 . PRO 204 204 50777 1 . GLN 205 205 50777 1 . VAL 206 206 50777 1 . GLY 207 207 50777 1 . TRP 208 208 50777 1 . LEU 209 209 50777 1 . THR 210 210 50777 1 . GLY 211 211 50777 1 . TRP 212 212 50777 1 . VAL 213 213 50777 1 . GLU 214 214 50777 1 . GLN 215 215 50777 1 . ALA 216 216 50777 1 . ASN 217 217 50777 1 . GLY 218 218 50777 1 . LYS 219 219 50777 1 . LYS 220 220 50777 1 . ILE 221 221 50777 1 . PRO 222 222 50777 1 . PHE 223 223 50777 1 . SER 224 224 50777 1 . LEU 225 225 50777 1 . ASN 226 226 50777 1 . LEU 227 227 50777 1 . GLU 228 228 50777 1 . MET 229 229 50777 1 . LYS 230 230 50777 1 . GLU 231 231 50777 1 . GLY 232 232 50777 1 . MET 233 233 50777 1 . SER 234 234 50777 1 . GLY 235 235 50777 1 . SER 236 236 50777 1 . ILE 237 237 50777 1 . ARG 238 238 50777 1 . ASN 239 239 50777 1 . GLU 240 240 50777 1 . ILE 241 241 50777 1 . THR 242 242 50777 1 . TYR 243 243 50777 1 . LYS 244 244 50777 1 . SER 245 245 50777 1 . LEU 246 246 50777 1 . GLU 247 247 50777 1 . ASN 248 248 50777 1 . LEU 249 249 50777 1 . GLY 250 250 50777 1 . ILE 251 251 50777 1 . ILE 252 252 50777 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50777 _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 $entity_1 . 470 organism . 'acinetobacter baumannii' 'Acinetobacter baumannii' . . Bacteria . Acinetobacter baumannii . . . . . . . . . . . . . 50777 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50777 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pet24a . . . 50777 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50777 _Sample.ID 1 _Sample.Name '3X sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 OXA-24/40 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 500 . . mM . . . . 50777 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50777 1 3 NaCl 'natural abundance' . . . . . . 30 . . mM . . . . 50777 1 4 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 50777 1 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 50777 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 50777 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample conditions' _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 'ionic strength' 30 . mM 50777 1 pH 7.0 . pH 50777 1 pressure 1 . atm 50777 1 temperature 295 . K 50777 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50777 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50777 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50777 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50777 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50777 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50777 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50777 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50777 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50777 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50777 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50777 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50777 1 7 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50777 1 8 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50777 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50777 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'MWS chem shift' _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 DSS 'methyl protons' . . . . Hz 0 na indirect 0.25 . . . . . 50777 1 H 1 DSS 'methyl protons' . . . . Hz 0 internal direct 1 . . . . . 50777 1 N 15 DSS 'methyl protons' . . . . Hz 0 na indirect 0.10 . . . . . 50777 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50777 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'OXA-24/40 Chemical Shift Assignments' _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '3D 1H-15N NOESY' . . . 50777 1 2 '2D 1H-15N HSQC' . . . 50777 1 3 '3D HNCO' . . . 50777 1 4 '3D HN(CO)CA' . . . 50777 1 5 '3D HNCA' . . . 50777 1 6 '3D HN(CA)CO' . . . 50777 1 7 '3D HN(CO)CACB' . . . 50777 1 8 '3D CBCANH' . . . 50777 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50777 1 2 $software_2 . . 50777 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 LYS H H 1 8.44 0.02 . 1 . . . . . 24 LYS H . 50777 1 2 . 1 . 1 1 1 LYS C C 13 176.7 0.2 . 1 . . . . . 24 LYS C . 50777 1 3 . 1 . 1 1 1 LYS CA C 13 55.8 0.2 . 1 . . . . . 24 LYS CA . 50777 1 4 . 1 . 1 1 1 LYS CB C 13 32.1 0.2 . 1 . . . . . 24 LYS CB . 50777 1 5 . 1 . 1 1 1 LYS N N 15 126.4 0.2 . 1 . . . . . 24 LYS N . 50777 1 6 . 1 . 1 2 2 THR H H 1 8.18 0.02 . 1 . . . . . 25 THR H . 50777 1 7 . 1 . 1 2 2 THR C C 13 174.4 0.2 . 1 . . . . . 25 THR C . 50777 1 8 . 1 . 1 2 2 THR CA C 13 61.3 0.2 . 1 . . . . . 25 THR CA . 50777 1 9 . 1 . 1 2 2 THR CB C 13 69.8 0.2 . 1 . . . . . 25 THR CB . 50777 1 10 . 1 . 1 2 2 THR N N 15 116.9 0.2 . 1 . . . . . 25 THR N . 50777 1 11 . 1 . 1 3 3 LYS H H 1 8.36 0.02 . 1 . . . . . 26 LYS H . 50777 1 12 . 1 . 1 3 3 LYS C C 13 176.6 0.2 . 1 . . . . . 26 LYS C . 50777 1 13 . 1 . 1 3 3 LYS CA C 13 55.9 0.2 . 1 . . . . . 26 LYS CA . 50777 1 14 . 1 . 1 3 3 LYS CB C 13 32.2 0.2 . 1 . . . . . 26 LYS CB . 50777 1 15 . 1 . 1 3 3 LYS N N 15 124.3 0.2 . 1 . . . . . 26 LYS N . 50777 1 16 . 1 . 1 4 4 SER H H 1 8.39 0.02 . 1 . . . . . 27 SER H . 50777 1 17 . 1 . 1 4 4 SER C C 13 174.7 0.2 . 1 . . . . . 27 SER C . 50777 1 18 . 1 . 1 4 4 SER CA C 13 58.1 0.2 . 1 . . . . . 27 SER CA . 50777 1 19 . 1 . 1 4 4 SER CB C 13 63.3 0.2 . 1 . . . . . 27 SER CB . 50777 1 20 . 1 . 1 4 4 SER N N 15 118.3 0.2 . 1 . . . . . 27 SER N . 50777 1 21 . 1 . 1 5 5 GLU H H 1 8.50 0.02 . 1 . . . . . 28 GLU H . 50777 1 22 . 1 . 1 5 5 GLU C C 13 176.2 0.2 . 1 . . . . . 28 GLU C . 50777 1 23 . 1 . 1 5 5 GLU CA C 13 56.2 0.2 . 1 . . . . . 28 GLU CA . 50777 1 24 . 1 . 1 5 5 GLU CB C 13 29.4 0.2 . 1 . . . . . 28 GLU CB . 50777 1 25 . 1 . 1 5 5 GLU N N 15 123.1 0.2 . 1 . . . . . 28 GLU N . 50777 1 26 . 1 . 1 6 6 ASP H H 1 8.22 0.02 . 1 . . . . . 29 ASP H . 50777 1 27 . 1 . 1 6 6 ASP C C 13 176.1 0.2 . 1 . . . . . 29 ASP C . 50777 1 28 . 1 . 1 6 6 ASP CA C 13 54.1 0.2 . 1 . . . . . 29 ASP CA . 50777 1 29 . 1 . 1 6 6 ASP CB C 13 40.7 0.2 . 1 . . . . . 29 ASP CB . 50777 1 30 . 1 . 1 6 6 ASP N N 15 121.5 0.2 . 1 . . . . . 29 ASP N . 50777 1 31 . 1 . 1 7 7 ASN H H 1 8.25 0.02 . 1 . . . . . 30 ASN H . 50777 1 32 . 1 . 1 7 7 ASN C C 13 175.3 0.2 . 1 . . . . . 30 ASN C . 50777 1 33 . 1 . 1 7 7 ASN CA C 13 53.1 0.2 . 1 . . . . . 30 ASN CA . 50777 1 34 . 1 . 1 7 7 ASN CB C 13 38.3 0.2 . 1 . . . . . 30 ASN CB . 50777 1 35 . 1 . 1 7 7 ASN N N 15 119.2 0.2 . 1 . . . . . 30 ASN N . 50777 1 36 . 1 . 1 8 8 PHE H H 1 8.17 0.02 . 1 . . . . . 31 PHE H . 50777 1 37 . 1 . 1 8 8 PHE C C 13 175.9 0.2 . 1 . . . . . 31 PHE C . 50777 1 38 . 1 . 1 8 8 PHE CA C 13 58.1 0.2 . 1 . . . . . 31 PHE CA . 50777 1 39 . 1 . 1 8 8 PHE CB C 13 38.5 0.2 . 1 . . . . . 31 PHE CB . 50777 1 40 . 1 . 1 8 8 PHE N N 15 120.9 0.2 . 1 . . . . . 31 PHE N . 50777 1 41 . 1 . 1 10 10 ILE H H 1 7.98 0.02 . 1 . . . . . 33 ILE H . 50777 1 42 . 1 . 1 10 10 ILE C C 13 176.8 0.2 . 1 . . . . . 33 ILE C . 50777 1 43 . 1 . 1 10 10 ILE CA C 13 61.2 0.2 . 1 . . . . . 33 ILE CA . 50777 1 44 . 1 . 1 10 10 ILE CB C 13 37.6 0.2 . 1 . . . . . 33 ILE CB . 50777 1 45 . 1 . 1 10 10 ILE N N 15 122.9 0.2 . 1 . . . . . 33 ILE N . 50777 1 46 . 1 . 1 11 11 SER H H 1 8.39 0.02 . 1 . . . . . 34 SER H . 50777 1 47 . 1 . 1 11 11 SER C C 13 175.6 0.2 . 1 . . . . . 34 SER C . 50777 1 48 . 1 . 1 11 11 SER CA C 13 58.5 0.2 . 1 . . . . . 34 SER CA . 50777 1 49 . 1 . 1 11 11 SER CB C 13 63.3 0.2 . 1 . . . . . 34 SER CB . 50777 1 50 . 1 . 1 11 11 SER N N 15 119.9 0.2 . 1 . . . . . 34 SER N . 50777 1 51 . 1 . 1 12 12 SER H H 1 8.49 0.02 . 1 . . . . . 35 SER H . 50777 1 52 . 1 . 1 12 12 SER CA C 13 59.7 0.2 . 1 . . . . . 35 SER CA . 50777 1 53 . 1 . 1 12 12 SER CB C 13 63.1 0.2 . 1 . . . . . 35 SER CB . 50777 1 54 . 1 . 1 12 12 SER N N 15 118.4 0.2 . 1 . . . . . 35 SER N . 50777 1 55 . 1 . 1 13 13 GLN H H 1 8.28 0.02 . 1 . . . . . 36 GLN H . 50777 1 56 . 1 . 1 13 13 GLN C C 13 177.6 0.2 . 1 . . . . . 36 GLN C . 50777 1 57 . 1 . 1 13 13 GLN CA C 13 57.5 0.2 . 1 . . . . . 36 GLN CA . 50777 1 58 . 1 . 1 13 13 GLN CB C 13 27.9 0.2 . 1 . . . . . 36 GLN CB . 50777 1 59 . 1 . 1 13 13 GLN N N 15 121.5 0.2 . 1 . . . . . 36 GLN N . 50777 1 60 . 1 . 1 14 14 GLN H H 1 8.06 0.02 . 1 . . . . . 37 GLN H . 50777 1 61 . 1 . 1 14 14 GLN C C 13 178.7 0.2 . 1 . . . . . 37 GLN C . 50777 1 62 . 1 . 1 14 14 GLN CA C 13 57.8 0.2 . 1 . . . . . 37 GLN CA . 50777 1 63 . 1 . 1 14 14 GLN CB C 13 27.4 0.2 . 1 . . . . . 37 GLN CB . 50777 1 64 . 1 . 1 14 14 GLN N N 15 119.5 0.2 . 1 . . . . . 37 GLN N . 50777 1 65 . 1 . 1 17 17 LYS H H 1 7.31 0.02 . 1 . . . . . 40 LYS H . 50777 1 66 . 1 . 1 17 17 LYS C C 13 178.8 0.2 . 1 . . . . . 40 LYS C . 50777 1 67 . 1 . 1 17 17 LYS CA C 13 58.7 0.2 . 1 . . . . . 40 LYS CA . 50777 1 68 . 1 . 1 17 17 LYS CB C 13 31.9 0.2 . 1 . . . . . 40 LYS CB . 50777 1 69 . 1 . 1 17 17 LYS N N 15 113.9 0.2 . 1 . . . . . 40 LYS N . 50777 1 70 . 1 . 1 18 18 ALA H H 1 7.85 0.02 . 1 . . . . . 41 ALA H . 50777 1 71 . 1 . 1 18 18 ALA C C 13 179.6 0.2 . 1 . . . . . 41 ALA C . 50777 1 72 . 1 . 1 18 18 ALA CA C 13 54.2 0.2 . 1 . . . . . 41 ALA CA . 50777 1 73 . 1 . 1 18 18 ALA CB C 13 17.4 0.2 . 1 . . . . . 41 ALA CB . 50777 1 74 . 1 . 1 18 18 ALA N N 15 123.6 0.2 . 1 . . . . . 41 ALA N . 50777 1 75 . 1 . 1 19 19 ILE H H 1 8.15 0.02 . 1 . . . . . 42 ILE H . 50777 1 76 . 1 . 1 19 19 ILE C C 13 178.6 0.2 . 1 . . . . . 42 ILE C . 50777 1 77 . 1 . 1 19 19 ILE CA C 13 64.2 0.2 . 1 . . . . . 42 ILE CA . 50777 1 78 . 1 . 1 19 19 ILE CB C 13 36.7 0.2 . 1 . . . . . 42 ILE CB . 50777 1 79 . 1 . 1 19 19 ILE N N 15 117.7 0.2 . 1 . . . . . 42 ILE N . 50777 1 80 . 1 . 1 20 20 LYS H H 1 7.65 0.02 . 1 . . . . . 43 LYS H . 50777 1 81 . 1 . 1 20 20 LYS C C 13 178.6 0.2 . 1 . . . . . 43 LYS C . 50777 1 82 . 1 . 1 20 20 LYS CA C 13 60.9 0.2 . 1 . . . . . 43 LYS CA . 50777 1 83 . 1 . 1 20 20 LYS CB C 13 31.6 0.2 . 1 . . . . . 43 LYS CB . 50777 1 84 . 1 . 1 20 20 LYS N N 15 119.3 0.2 . 1 . . . . . 43 LYS N . 50777 1 85 . 1 . 1 21 21 SER H H 1 7.52 0.02 . 1 . . . . . 44 SER H . 50777 1 86 . 1 . 1 21 21 SER C C 13 175.8 0.2 . 1 . . . . . 44 SER C . 50777 1 87 . 1 . 1 21 21 SER CA C 13 61.1 0.2 . 1 . . . . . 44 SER CA . 50777 1 88 . 1 . 1 21 21 SER CB C 13 62.7 0.2 . 1 . . . . . 44 SER CB . 50777 1 89 . 1 . 1 21 21 SER N N 15 113.9 0.2 . 1 . . . . . 44 SER N . 50777 1 90 . 1 . 1 22 22 TYR H H 1 7.32 0.02 . 1 . . . . . 45 TYR H . 50777 1 91 . 1 . 1 22 22 TYR C C 13 179.6 0.2 . 1 . . . . . 45 TYR C . 50777 1 92 . 1 . 1 22 22 TYR CA C 13 57.2 0.2 . 1 . . . . . 45 TYR CA . 50777 1 93 . 1 . 1 22 22 TYR CB C 13 35.8 0.2 . 1 . . . . . 45 TYR CB . 50777 1 94 . 1 . 1 22 22 TYR N N 15 122.9 0.2 . 1 . . . . . 45 TYR N . 50777 1 95 . 1 . 1 23 23 PHE H H 1 7.35 0.02 . 1 . . . . . 46 PHE H . 50777 1 96 . 1 . 1 23 23 PHE C C 13 177.4 0.2 . 1 . . . . . 46 PHE C . 50777 1 97 . 1 . 1 23 23 PHE CA C 13 61.5 0.2 . 1 . . . . . 46 PHE CA . 50777 1 98 . 1 . 1 23 23 PHE CB C 13 39.3 0.2 . 1 . . . . . 46 PHE CB . 50777 1 99 . 1 . 1 23 23 PHE N N 15 117.0 0.2 . 1 . . . . . 46 PHE N . 50777 1 100 . 1 . 1 24 24 ASP H H 1 8.33 0.02 . 1 . . . . . 47 ASP H . 50777 1 101 . 1 . 1 24 24 ASP C C 13 181.3 0.2 . 1 . . . . . 47 ASP C . 50777 1 102 . 1 . 1 24 24 ASP CA C 13 57.3 0.2 . 1 . . . . . 47 ASP CA . 50777 1 103 . 1 . 1 24 24 ASP CB C 13 39.6 0.2 . 1 . . . . . 47 ASP CB . 50777 1 104 . 1 . 1 24 24 ASP N N 15 119.7 0.2 . 1 . . . . . 47 ASP N . 50777 1 105 . 1 . 1 25 25 GLU H H 1 8.89 0.02 . 1 . . . . . 48 GLU H . 50777 1 106 . 1 . 1 25 25 GLU C C 13 177.7 0.2 . 1 . . . . . 48 GLU C . 50777 1 107 . 1 . 1 25 25 GLU CA C 13 58.3 0.2 . 1 . . . . . 48 GLU CA . 50777 1 108 . 1 . 1 25 25 GLU CB C 13 28.5 0.2 . 1 . . . . . 48 GLU CB . 50777 1 109 . 1 . 1 25 25 GLU N N 15 121.2 0.2 . 1 . . . . . 48 GLU N . 50777 1 110 . 1 . 1 26 26 ALA H H 1 6.93 0.02 . 1 . . . . . 49 ALA H . 50777 1 111 . 1 . 1 26 26 ALA C C 13 175.6 0.2 . 1 . . . . . 49 ALA C . 50777 1 112 . 1 . 1 26 26 ALA CA C 13 51.5 0.2 . 1 . . . . . 49 ALA CA . 50777 1 113 . 1 . 1 26 26 ALA CB C 13 18.2 0.2 . 1 . . . . . 49 ALA CB . 50777 1 114 . 1 . 1 26 26 ALA N N 15 120.4 0.2 . 1 . . . . . 49 ALA N . 50777 1 115 . 1 . 1 27 27 GLN H H 1 7.88 0.02 . 1 . . . . . 50 GLN H . 50777 1 116 . 1 . 1 27 27 GLN C C 13 174.5 0.2 . 1 . . . . . 50 GLN C . 50777 1 117 . 1 . 1 27 27 GLN CA C 13 55.5 0.2 . 1 . . . . . 50 GLN CA . 50777 1 118 . 1 . 1 27 27 GLN CB C 13 25.0 0.2 . 1 . . . . . 50 GLN CB . 50777 1 119 . 1 . 1 27 27 GLN N N 15 112.5 0.2 . 1 . . . . . 50 GLN N . 50777 1 120 . 1 . 1 28 28 THR H H 1 7.24 0.02 . 1 . . . . . 51 THR H . 50777 1 121 . 1 . 1 28 28 THR C C 13 172.3 0.2 . 1 . . . . . 51 THR C . 50777 1 122 . 1 . 1 28 28 THR CA C 13 57.5 0.2 . 1 . . . . . 51 THR CA . 50777 1 123 . 1 . 1 28 28 THR CB C 13 69.2 0.2 . 1 . . . . . 51 THR CB . 50777 1 124 . 1 . 1 28 28 THR N N 15 109.4 0.2 . 1 . . . . . 51 THR N . 50777 1 125 . 1 . 1 29 29 GLN H H 1 8.13 0.02 . 1 . . . . . 52 GLN H . 50777 1 126 . 1 . 1 29 29 GLN C C 13 175.2 0.2 . 1 . . . . . 52 GLN C . 50777 1 127 . 1 . 1 29 29 GLN CA C 13 53.1 0.2 . 1 . . . . . 52 GLN CA . 50777 1 128 . 1 . 1 29 29 GLN CB C 13 30.9 0.2 . 1 . . . . . 52 GLN CB . 50777 1 129 . 1 . 1 29 29 GLN N N 15 121.7 0.2 . 1 . . . . . 52 GLN N . 50777 1 130 . 1 . 1 30 30 GLY H H 1 8.76 0.02 . 1 . . . . . 53 GLY H . 50777 1 131 . 1 . 1 30 30 GLY C C 13 168.8 0.2 . 1 . . . . . 53 GLY C . 50777 1 132 . 1 . 1 30 30 GLY CA C 13 45.7 0.2 . 1 . . . . . 53 GLY CA . 50777 1 133 . 1 . 1 30 30 GLY N N 15 107.7 0.2 . 1 . . . . . 53 GLY N . 50777 1 134 . 1 . 1 31 31 VAL H H 1 8.96 0.02 . 1 . . . . . 54 VAL H . 50777 1 135 . 1 . 1 31 31 VAL C C 13 178.0 0.2 . 1 . . . . . 54 VAL C . 50777 1 136 . 1 . 1 31 31 VAL CA C 13 57.7 0.2 . 1 . . . . . 54 VAL CA . 50777 1 137 . 1 . 1 31 31 VAL CB C 13 35.8 0.2 . 1 . . . . . 54 VAL CB . 50777 1 138 . 1 . 1 31 31 VAL N N 15 116.6 0.2 . 1 . . . . . 54 VAL N . 50777 1 139 . 1 . 1 32 32 ILE H H 1 9.23 0.02 . 1 . . . . . 55 ILE H . 50777 1 140 . 1 . 1 32 32 ILE C C 13 172.3 0.2 . 1 . . . . . 55 ILE C . 50777 1 141 . 1 . 1 32 32 ILE CA C 13 59.3 0.2 . 1 . . . . . 55 ILE CA . 50777 1 142 . 1 . 1 32 32 ILE CB C 13 41.7 0.2 . 1 . . . . . 55 ILE CB . 50777 1 143 . 1 . 1 32 32 ILE N N 15 123.4 0.2 . 1 . . . . . 55 ILE N . 50777 1 144 . 1 . 1 33 33 ILE H H 1 8.97 0.02 . 1 . . . . . 56 ILE H . 50777 1 145 . 1 . 1 33 33 ILE C C 13 178.2 0.2 . 1 . . . . . 56 ILE C . 50777 1 146 . 1 . 1 33 33 ILE CA C 13 58.2 0.2 . 1 . . . . . 56 ILE CA . 50777 1 147 . 1 . 1 33 33 ILE N N 15 128.4 0.2 . 1 . . . . . 56 ILE N . 50777 1 148 . 1 . 1 34 34 ILE H H 1 8.97 0.02 . 1 . . . . . 57 ILE H . 50777 1 149 . 1 . 1 34 34 ILE C C 13 175.1 0.2 . 1 . . . . . 57 ILE C . 50777 1 150 . 1 . 1 34 34 ILE CA C 13 58.5 0.2 . 1 . . . . . 57 ILE CA . 50777 1 151 . 1 . 1 34 34 ILE CB C 13 39.8 0.2 . 1 . . . . . 57 ILE CB . 50777 1 152 . 1 . 1 34 34 ILE N N 15 125.8 0.2 . 1 . . . . . 57 ILE N . 50777 1 153 . 1 . 1 35 35 LYS H H 1 8.34 0.02 . 1 . . . . . 58 LYS H . 50777 1 154 . 1 . 1 35 35 LYS C C 13 173.4 0.2 . 1 . . . . . 58 LYS C . 50777 1 155 . 1 . 1 35 35 LYS CA C 13 54.3 0.2 . 1 . . . . . 58 LYS CA . 50777 1 156 . 1 . 1 35 35 LYS CB C 13 35.5 0.2 . 1 . . . . . 58 LYS CB . 50777 1 157 . 1 . 1 35 35 LYS N N 15 128.8 0.2 . 1 . . . . . 58 LYS N . 50777 1 158 . 1 . 1 36 36 GLU H H 1 8.33 0.02 . 1 . . . . . 59 GLU H . 50777 1 159 . 1 . 1 36 36 GLU C C 13 176.7 0.2 . 1 . . . . . 59 GLU C . 50777 1 160 . 1 . 1 36 36 GLU CA C 13 54.7 0.2 . 1 . . . . . 59 GLU CA . 50777 1 161 . 1 . 1 36 36 GLU CB C 13 30.5 0.2 . 1 . . . . . 59 GLU CB . 50777 1 162 . 1 . 1 36 36 GLU N N 15 125.7 0.2 . 1 . . . . . 59 GLU N . 50777 1 163 . 1 . 1 37 37 GLY H H 1 8.78 0.02 . 1 . . . . . 60 GLY H . 50777 1 164 . 1 . 1 37 37 GLY C C 13 174.5 0.2 . 1 . . . . . 60 GLY C . 50777 1 165 . 1 . 1 37 37 GLY CA C 13 46.2 0.2 . 1 . . . . . 60 GLY CA . 50777 1 166 . 1 . 1 37 37 GLY N N 15 116.2 0.2 . 1 . . . . . 60 GLY N . 50777 1 167 . 1 . 1 38 38 LYS H H 1 8.80 0.02 . 1 . . . . . 61 LYS H . 50777 1 168 . 1 . 1 38 38 LYS C C 13 176.4 0.2 . 1 . . . . . 61 LYS C . 50777 1 169 . 1 . 1 38 38 LYS CA C 13 56.0 0.2 . 1 . . . . . 61 LYS CA . 50777 1 170 . 1 . 1 38 38 LYS N N 15 125.7 0.2 . 1 . . . . . 61 LYS N . 50777 1 171 . 1 . 1 39 39 ASN H H 1 7.99 0.02 . 1 . . . . . 62 ASN H . 50777 1 172 . 1 . 1 39 39 ASN C C 13 176.8 0.2 . 1 . . . . . 62 ASN C . 50777 1 173 . 1 . 1 39 39 ASN CA C 13 52.8 0.2 . 1 . . . . . 62 ASN CA . 50777 1 174 . 1 . 1 39 39 ASN CB C 13 39.8 0.2 . 1 . . . . . 62 ASN CB . 50777 1 175 . 1 . 1 39 39 ASN N N 15 118.6 0.2 . 1 . . . . . 62 ASN N . 50777 1 176 . 1 . 1 40 40 LEU H H 1 8.72 0.02 . 1 . . . . . 63 LEU H . 50777 1 177 . 1 . 1 40 40 LEU C C 13 176.9 0.2 . 1 . . . . . 63 LEU C . 50777 1 178 . 1 . 1 40 40 LEU CA C 13 54.5 0.2 . 1 . . . . . 63 LEU CA . 50777 1 179 . 1 . 1 40 40 LEU CB C 13 42.5 0.2 . 1 . . . . . 63 LEU CB . 50777 1 180 . 1 . 1 40 40 LEU N N 15 126.2 0.2 . 1 . . . . . 63 LEU N . 50777 1 181 . 1 . 1 41 41 SER H H 1 9.03 0.02 . 1 . . . . . 64 SER H . 50777 1 182 . 1 . 1 41 41 SER C C 13 171.7 0.2 . 1 . . . . . 64 SER C . 50777 1 183 . 1 . 1 41 41 SER CA C 13 57.6 0.2 . 1 . . . . . 64 SER CA . 50777 1 184 . 1 . 1 41 41 SER CB C 13 65.2 0.2 . 1 . . . . . 64 SER CB . 50777 1 185 . 1 . 1 41 41 SER N N 15 121.5 0.2 . 1 . . . . . 64 SER N . 50777 1 186 . 1 . 1 42 42 THR H H 1 8.06 0.02 . 1 . . . . . 65 THR H . 50777 1 187 . 1 . 1 42 42 THR C C 13 172.4 0.2 . 1 . . . . . 65 THR C . 50777 1 188 . 1 . 1 42 42 THR CA C 13 60.6 0.2 . 1 . . . . . 65 THR CA . 50777 1 189 . 1 . 1 42 42 THR CB C 13 69.4 0.2 . 1 . . . . . 65 THR CB . 50777 1 190 . 1 . 1 42 42 THR N N 15 118.2 0.2 . 1 . . . . . 65 THR N . 50777 1 191 . 1 . 1 43 43 TYR H H 1 8.91 0.02 . 1 . . . . . 66 TYR H . 50777 1 192 . 1 . 1 43 43 TYR C C 13 174.3 0.2 . 1 . . . . . 66 TYR C . 50777 1 193 . 1 . 1 43 43 TYR CA C 13 55.5 0.2 . 1 . . . . . 66 TYR CA . 50777 1 194 . 1 . 1 43 43 TYR CB C 13 42.7 0.2 . 1 . . . . . 66 TYR CB . 50777 1 195 . 1 . 1 43 43 TYR N N 15 123.6 0.2 . 1 . . . . . 66 TYR N . 50777 1 196 . 1 . 1 44 44 GLY H H 1 9.49 0.02 . 1 . . . . . 67 GLY H . 50777 1 197 . 1 . 1 44 44 GLY C C 13 171.3 0.2 . 1 . . . . . 67 GLY C . 50777 1 198 . 1 . 1 44 44 GLY CA C 13 43.7 0.2 . 1 . . . . . 67 GLY CA . 50777 1 199 . 1 . 1 44 44 GLY N N 15 105.9 0.2 . 1 . . . . . 67 GLY N . 50777 1 200 . 1 . 1 45 45 ASN H H 1 6.85 0.02 . 1 . . . . . 68 ASN H . 50777 1 201 . 1 . 1 45 45 ASN C C 13 176.1 0.2 . 1 . . . . . 68 ASN C . 50777 1 202 . 1 . 1 45 45 ASN CA C 13 51.0 0.2 . 1 . . . . . 68 ASN CA . 50777 1 203 . 1 . 1 45 45 ASN CB C 13 39.2 0.2 . 1 . . . . . 68 ASN CB . 50777 1 204 . 1 . 1 45 45 ASN N N 15 113.5 0.2 . 1 . . . . . 68 ASN N . 50777 1 205 . 1 . 1 46 46 ALA H H 1 7.43 0.02 . 1 . . . . . 69 ALA H . 50777 1 206 . 1 . 1 46 46 ALA C C 13 176.1 0.2 . 1 . . . . . 69 ALA C . 50777 1 207 . 1 . 1 46 46 ALA CA C 13 50.4 0.2 . 1 . . . . . 69 ALA CA . 50777 1 208 . 1 . 1 46 46 ALA CB C 13 17.4 0.2 . 1 . . . . . 69 ALA CB . 50777 1 209 . 1 . 1 46 46 ALA N N 15 126.6 0.2 . 1 . . . . . 69 ALA N . 50777 1 210 . 1 . 1 47 47 LEU H H 1 8.20 0.02 . 1 . . . . . 70 LEU H . 50777 1 211 . 1 . 1 47 47 LEU C C 13 180.0 0.2 . 1 . . . . . 70 LEU C . 50777 1 212 . 1 . 1 47 47 LEU CA C 13 57.2 0.2 . 1 . . . . . 70 LEU CA . 50777 1 213 . 1 . 1 47 47 LEU CB C 13 39.5 0.2 . 1 . . . . . 70 LEU CB . 50777 1 214 . 1 . 1 47 47 LEU N N 15 119.9 0.2 . 1 . . . . . 70 LEU N . 50777 1 215 . 1 . 1 48 48 ALA H H 1 8.49 0.02 . 1 . . . . . 71 ALA H . 50777 1 216 . 1 . 1 48 48 ALA C C 13 179.3 0.2 . 1 . . . . . 71 ALA C . 50777 1 217 . 1 . 1 48 48 ALA CA C 13 53.5 0.2 . 1 . . . . . 71 ALA CA . 50777 1 218 . 1 . 1 48 48 ALA CB C 13 17.2 0.2 . 1 . . . . . 71 ALA CB . 50777 1 219 . 1 . 1 48 48 ALA N N 15 120.6 0.2 . 1 . . . . . 71 ALA N . 50777 1 220 . 1 . 1 49 49 ARG H H 1 7.67 0.02 . 1 . . . . . 72 ARG H . 50777 1 221 . 1 . 1 49 49 ARG C C 13 177.8 0.2 . 1 . . . . . 72 ARG C . 50777 1 222 . 1 . 1 49 49 ARG CA C 13 58.2 0.2 . 1 . . . . . 72 ARG CA . 50777 1 223 . 1 . 1 49 49 ARG CB C 13 31.9 0.2 . 1 . . . . . 72 ARG CB . 50777 1 224 . 1 . 1 49 49 ARG N N 15 115.9 0.2 . 1 . . . . . 72 ARG N . 50777 1 225 . 1 . 1 50 50 ALA H H 1 7.50 0.02 . 1 . . . . . 73 ALA H . 50777 1 226 . 1 . 1 50 50 ALA C C 13 175.9 0.2 . 1 . . . . . 73 ALA C . 50777 1 227 . 1 . 1 50 50 ALA CA C 13 55.1 0.2 . 1 . . . . . 73 ALA CA . 50777 1 228 . 1 . 1 50 50 ALA CB C 13 18.5 0.2 . 1 . . . . . 73 ALA CB . 50777 1 229 . 1 . 1 50 50 ALA N N 15 115.8 0.2 . 1 . . . . . 73 ALA N . 50777 1 230 . 1 . 1 51 51 ASN H H 1 6.78 0.02 . 1 . . . . . 74 ASN H . 50777 1 231 . 1 . 1 51 51 ASN C C 13 174.3 0.2 . 1 . . . . . 74 ASN C . 50777 1 232 . 1 . 1 51 51 ASN CA C 13 51.4 0.2 . 1 . . . . . 74 ASN CA . 50777 1 233 . 1 . 1 51 51 ASN CB C 13 39.6 0.2 . 1 . . . . . 74 ASN CB . 50777 1 234 . 1 . 1 51 51 ASN N N 15 108.0 0.2 . 1 . . . . . 74 ASN N . 50777 1 235 . 1 . 1 52 52 LYS H H 1 7.40 0.02 . 1 . . . . . 75 LYS H . 50777 1 236 . 1 . 1 52 52 LYS C C 13 173.2 0.2 . 1 . . . . . 75 LYS C . 50777 1 237 . 1 . 1 52 52 LYS CA C 13 54.7 0.2 . 1 . . . . . 75 LYS CA . 50777 1 238 . 1 . 1 52 52 LYS CB C 13 32.6 0.2 . 1 . . . . . 75 LYS CB . 50777 1 239 . 1 . 1 52 52 LYS N N 15 123.2 0.2 . 1 . . . . . 75 LYS N . 50777 1 240 . 1 . 1 53 53 GLU H H 1 7.65 0.02 . 1 . . . . . 76 GLU H . 50777 1 241 . 1 . 1 53 53 GLU C C 13 176.0 0.2 . 1 . . . . . 76 GLU C . 50777 1 242 . 1 . 1 53 53 GLU CA C 13 54.6 0.2 . 1 . . . . . 76 GLU CA . 50777 1 243 . 1 . 1 53 53 GLU CB C 13 30.9 0.2 . 1 . . . . . 76 GLU CB . 50777 1 244 . 1 . 1 53 53 GLU N N 15 116.6 0.2 . 1 . . . . . 76 GLU N . 50777 1 245 . 1 . 1 54 54 TYR H H 1 8.71 0.02 . 1 . . . . . 77 TYR H . 50777 1 246 . 1 . 1 54 54 TYR C C 13 176.2 0.2 . 1 . . . . . 77 TYR C . 50777 1 247 . 1 . 1 54 54 TYR CA C 13 56.0 0.2 . 1 . . . . . 77 TYR CA . 50777 1 248 . 1 . 1 54 54 TYR CB C 13 43.4 0.2 . 1 . . . . . 77 TYR CB . 50777 1 249 . 1 . 1 54 54 TYR N N 15 119.7 0.2 . 1 . . . . . 77 TYR N . 50777 1 250 . 1 . 1 55 55 VAL H H 1 9.10 0.02 . 1 . . . . . 78 VAL H . 50777 1 251 . 1 . 1 55 55 VAL C C 13 176.2 0.2 . 1 . . . . . 78 VAL C . 50777 1 252 . 1 . 1 55 55 VAL CA C 13 60.6 0.2 . 1 . . . . . 78 VAL CA . 50777 1 253 . 1 . 1 55 55 VAL CB C 13 29.6 0.2 . 1 . . . . . 78 VAL CB . 50777 1 254 . 1 . 1 55 55 VAL N N 15 117.5 0.2 . 1 . . . . . 78 VAL N . 50777 1 255 . 1 . 1 57 57 ALA H H 1 8.77 0.02 . 1 . . . . . 80 ALA H . 50777 1 256 . 1 . 1 57 57 ALA C C 13 178.0 0.2 . 1 . . . . . 80 ALA C . 50777 1 257 . 1 . 1 57 57 ALA CA C 13 53.1 0.2 . 1 . . . . . 80 ALA CA . 50777 1 258 . 1 . 1 57 57 ALA CB C 13 17.1 0.2 . 1 . . . . . 80 ALA CB . 50777 1 259 . 1 . 1 57 57 ALA N N 15 124.0 0.2 . 1 . . . . . 80 ALA N . 50777 1 260 . 1 . 1 58 58 SER H H 1 8.10 0.02 . 1 . . . . . 81 SER H . 50777 1 261 . 1 . 1 58 58 SER CB C 13 63.2 0.2 . 1 . . . . . 81 SER CB . 50777 1 262 . 1 . 1 58 58 SER N N 15 115.5 0.2 . 1 . . . . . 81 SER N . 50777 1 263 . 1 . 1 59 59 THR H H 1 7.35 0.02 . 1 . . . . . 82 THR H . 50777 1 264 . 1 . 1 59 59 THR C C 13 176.3 0.2 . 1 . . . . . 82 THR C . 50777 1 265 . 1 . 1 59 59 THR CA C 13 65.4 0.2 . 1 . . . . . 82 THR CA . 50777 1 266 . 1 . 1 59 59 THR CB C 13 68.9 0.2 . 1 . . . . . 82 THR CB . 50777 1 267 . 1 . 1 59 59 THR N N 15 111.7 0.2 . 1 . . . . . 82 THR N . 50777 1 268 . 1 . 1 60 60 PHE H H 1 8.04 0.02 . 1 . . . . . 83 PHE H . 50777 1 269 . 1 . 1 60 60 PHE C C 13 174.6 0.2 . 1 . . . . . 83 PHE C . 50777 1 270 . 1 . 1 60 60 PHE CA C 13 59.4 0.2 . 1 . . . . . 83 PHE CA . 50777 1 271 . 1 . 1 60 60 PHE CB C 13 39.2 0.2 . 1 . . . . . 83 PHE CB . 50777 1 272 . 1 . 1 60 60 PHE N N 15 118.8 0.2 . 1 . . . . . 83 PHE N . 50777 1 273 . 1 . 1 61 61 LYS H H 1 7.39 0.02 . 1 . . . . . 84 LYS H . 50777 1 274 . 1 . 1 61 61 LYS C C 13 178.2 0.2 . 1 . . . . . 84 LYS C . 50777 1 275 . 1 . 1 61 61 LYS CA C 13 60.7 0.2 . 1 . . . . . 84 LYS CA . 50777 1 276 . 1 . 1 61 61 LYS CB C 13 33.6 0.2 . 1 . . . . . 84 LYS CB . 50777 1 277 . 1 . 1 61 61 LYS N N 15 118.4 0.2 . 1 . . . . . 84 LYS N . 50777 1 278 . 1 . 1 62 62 MET H H 1 6.39 0.02 . 1 . . . . . 85 MET H . 50777 1 279 . 1 . 1 62 62 MET C C 13 175.4 0.2 . 1 . . . . . 85 MET C . 50777 1 280 . 1 . 1 62 62 MET CA C 13 59.9 0.2 . 1 . . . . . 85 MET CA . 50777 1 281 . 1 . 1 62 62 MET CB C 13 34.9 0.2 . 1 . . . . . 85 MET CB . 50777 1 282 . 1 . 1 62 62 MET N N 15 110.9 0.2 . 1 . . . . . 85 MET N . 50777 1 283 . 1 . 1 64 64 ASN H H 1 7.50 0.02 . 1 . . . . . 87 ASN H . 50777 1 284 . 1 . 1 64 64 ASN C C 13 177.0 0.2 . 1 . . . . . 87 ASN C . 50777 1 285 . 1 . 1 64 64 ASN CA C 13 54.4 0.2 . 1 . . . . . 87 ASN CA . 50777 1 286 . 1 . 1 64 64 ASN CB C 13 38.2 0.2 . 1 . . . . . 87 ASN CB . 50777 1 287 . 1 . 1 64 64 ASN N N 15 118.6 0.2 . 1 . . . . . 87 ASN N . 50777 1 288 . 1 . 1 65 65 ALA H H 1 7.92 0.02 . 1 . . . . . 88 ALA H . 50777 1 289 . 1 . 1 65 65 ALA C C 13 177.9 0.2 . 1 . . . . . 88 ALA C . 50777 1 290 . 1 . 1 65 65 ALA CA C 13 55.3 0.2 . 1 . . . . . 88 ALA CA . 50777 1 291 . 1 . 1 65 65 ALA CB C 13 17.6 0.2 . 1 . . . . . 88 ALA CB . 50777 1 292 . 1 . 1 65 65 ALA N N 15 116.7 0.2 . 1 . . . . . 88 ALA N . 50777 1 293 . 1 . 1 66 66 LEU H H 1 6.83 0.02 . 1 . . . . . 89 LEU H . 50777 1 294 . 1 . 1 66 66 LEU C C 13 177.3 0.2 . 1 . . . . . 89 LEU C . 50777 1 295 . 1 . 1 66 66 LEU CA C 13 57.6 0.2 . 1 . . . . . 89 LEU CA . 50777 1 296 . 1 . 1 66 66 LEU CB C 13 40.2 0.2 . 1 . . . . . 89 LEU CB . 50777 1 297 . 1 . 1 66 66 LEU N N 15 117.0 0.2 . 1 . . . . . 89 LEU N . 50777 1 298 . 1 . 1 67 67 ILE H H 1 8.01 0.02 . 1 . . . . . 90 ILE H . 50777 1 299 . 1 . 1 67 67 ILE CA C 13 65.4 0.2 . 1 . . . . . 90 ILE CA . 50777 1 300 . 1 . 1 67 67 ILE CB C 13 38.0 0.2 . 1 . . . . . 90 ILE CB . 50777 1 301 . 1 . 1 67 67 ILE N N 15 116.7 0.2 . 1 . . . . . 90 ILE N . 50777 1 302 . 1 . 1 68 68 GLY H H 1 8.69 0.02 . 1 . . . . . 91 GLY H . 50777 1 303 . 1 . 1 68 68 GLY C C 13 174.9 0.2 . 1 . . . . . 91 GLY C . 50777 1 304 . 1 . 1 68 68 GLY CA C 13 46.7 0.2 . 1 . . . . . 91 GLY CA . 50777 1 305 . 1 . 1 68 68 GLY N N 15 108.6 0.2 . 1 . . . . . 91 GLY N . 50777 1 306 . 1 . 1 69 69 LEU H H 1 8.36 0.02 . 1 . . . . . 92 LEU H . 50777 1 307 . 1 . 1 69 69 LEU C C 13 181.3 0.2 . 1 . . . . . 92 LEU C . 50777 1 308 . 1 . 1 69 69 LEU CA C 13 57.0 0.2 . 1 . . . . . 92 LEU CA . 50777 1 309 . 1 . 1 69 69 LEU CB C 13 41.0 0.2 . 1 . . . . . 92 LEU CB . 50777 1 310 . 1 . 1 69 69 LEU N N 15 121.1 0.2 . 1 . . . . . 92 LEU N . 50777 1 311 . 1 . 1 70 70 GLU H H 1 8.47 0.02 . 1 . . . . . 93 GLU H . 50777 1 312 . 1 . 1 70 70 GLU C C 13 177.3 0.2 . 1 . . . . . 93 GLU C . 50777 1 313 . 1 . 1 70 70 GLU CA C 13 58.6 0.2 . 1 . . . . . 93 GLU CA . 50777 1 314 . 1 . 1 70 70 GLU CB C 13 29.1 0.2 . 1 . . . . . 93 GLU CB . 50777 1 315 . 1 . 1 70 70 GLU N N 15 122.3 0.2 . 1 . . . . . 93 GLU N . 50777 1 316 . 1 . 1 71 71 ASN H H 1 7.21 0.02 . 1 . . . . . 94 ASN H . 50777 1 317 . 1 . 1 71 71 ASN C C 13 172.9 0.2 . 1 . . . . . 94 ASN C . 50777 1 318 . 1 . 1 71 71 ASN CA C 13 53.1 0.2 . 1 . . . . . 94 ASN CA . 50777 1 319 . 1 . 1 71 71 ASN CB C 13 39.1 0.2 . 1 . . . . . 94 ASN CB . 50777 1 320 . 1 . 1 71 71 ASN N N 15 109.8 0.2 . 1 . . . . . 94 ASN N . 50777 1 321 . 1 . 1 72 72 HIS H H 1 7.54 0.02 . 1 . . . . . 95 HIS H . 50777 1 322 . 1 . 1 72 72 HIS C C 13 174.7 0.2 . 1 . . . . . 95 HIS C . 50777 1 323 . 1 . 1 72 72 HIS CA C 13 56.9 0.2 . 1 . . . . . 95 HIS CA . 50777 1 324 . 1 . 1 72 72 HIS CB C 13 25.4 0.2 . 1 . . . . . 95 HIS CB . 50777 1 325 . 1 . 1 72 72 HIS N N 15 112.7 0.2 . 1 . . . . . 95 HIS N . 50777 1 326 . 1 . 1 73 73 LYS H H 1 8.83 0.02 . 1 . . . . . 96 LYS H . 50777 1 327 . 1 . 1 73 73 LYS C C 13 175.4 0.2 . 1 . . . . . 96 LYS C . 50777 1 328 . 1 . 1 73 73 LYS CA C 13 53.6 0.2 . 1 . . . . . 96 LYS CA . 50777 1 329 . 1 . 1 73 73 LYS CB C 13 30.9 0.2 . 1 . . . . . 96 LYS CB . 50777 1 330 . 1 . 1 73 73 LYS N N 15 115.1 0.2 . 1 . . . . . 96 LYS N . 50777 1 331 . 1 . 1 74 74 ALA H H 1 7.46 0.02 . 1 . . . . . 97 ALA H . 50777 1 332 . 1 . 1 74 74 ALA C C 13 175.3 0.2 . 1 . . . . . 97 ALA C . 50777 1 333 . 1 . 1 74 74 ALA CA C 13 50.0 0.2 . 1 . . . . . 97 ALA CA . 50777 1 334 . 1 . 1 74 74 ALA CB C 13 23.0 0.2 . 1 . . . . . 97 ALA CB . 50777 1 335 . 1 . 1 74 74 ALA N N 15 117.4 0.2 . 1 . . . . . 97 ALA N . 50777 1 336 . 1 . 1 75 75 THR H H 1 7.67 0.02 . 1 . . . . . 98 THR H . 50777 1 337 . 1 . 1 75 75 THR C C 13 175.9 0.2 . 1 . . . . . 98 THR C . 50777 1 338 . 1 . 1 75 75 THR CA C 13 59.2 0.2 . 1 . . . . . 98 THR CA . 50777 1 339 . 1 . 1 75 75 THR CB C 13 71.6 0.2 . 1 . . . . . 98 THR CB . 50777 1 340 . 1 . 1 75 75 THR N N 15 108.1 0.2 . 1 . . . . . 98 THR N . 50777 1 341 . 1 . 1 76 76 THR H H 1 8.95 0.02 . 1 . . . . . 99 THR H . 50777 1 342 . 1 . 1 76 76 THR C C 13 175.1 0.2 . 1 . . . . . 99 THR C . 50777 1 343 . 1 . 1 76 76 THR CA C 13 64.0 0.2 . 1 . . . . . 99 THR CA . 50777 1 344 . 1 . 1 76 76 THR CB C 13 68.3 0.2 . 1 . . . . . 99 THR CB . 50777 1 345 . 1 . 1 76 76 THR N N 15 110.6 0.2 . 1 . . . . . 99 THR N . 50777 1 346 . 1 . 1 77 77 ASN H H 1 7.83 0.02 . 1 . . . . . 100 ASN H . 50777 1 347 . 1 . 1 77 77 ASN C C 13 174.9 0.2 . 1 . . . . . 100 ASN C . 50777 1 348 . 1 . 1 77 77 ASN CA C 13 52.1 0.2 . 1 . . . . . 100 ASN CA . 50777 1 349 . 1 . 1 77 77 ASN CB C 13 38.4 0.2 . 1 . . . . . 100 ASN CB . 50777 1 350 . 1 . 1 77 77 ASN N N 15 115.8 0.2 . 1 . . . . . 100 ASN N . 50777 1 351 . 1 . 1 78 78 GLU H H 1 7.02 0.02 . 1 . . . . . 101 GLU H . 50777 1 352 . 1 . 1 78 78 GLU C C 13 174.7 0.2 . 1 . . . . . 101 GLU C . 50777 1 353 . 1 . 1 78 78 GLU CA C 13 56.2 0.2 . 1 . . . . . 101 GLU CA . 50777 1 354 . 1 . 1 78 78 GLU CB C 13 29.1 0.2 . 1 . . . . . 101 GLU CB . 50777 1 355 . 1 . 1 78 78 GLU N N 15 122.9 0.2 . 1 . . . . . 101 GLU N . 50777 1 356 . 1 . 1 79 79 ILE H H 1 8.43 0.02 . 1 . . . . . 102 ILE H . 50777 1 357 . 1 . 1 79 79 ILE C C 13 176.3 0.2 . 1 . . . . . 102 ILE C . 50777 1 358 . 1 . 1 79 79 ILE CA C 13 59.4 0.2 . 1 . . . . . 102 ILE CA . 50777 1 359 . 1 . 1 79 79 ILE CB C 13 37.3 0.2 . 1 . . . . . 102 ILE CB . 50777 1 360 . 1 . 1 79 79 ILE N N 15 124.8 0.2 . 1 . . . . . 102 ILE N . 50777 1 361 . 1 . 1 80 80 PHE H H 1 9.48 0.02 . 1 . . . . . 103 PHE H . 50777 1 362 . 1 . 1 80 80 PHE C C 13 176.2 0.2 . 1 . . . . . 103 PHE C . 50777 1 363 . 1 . 1 80 80 PHE CA C 13 57.3 0.2 . 1 . . . . . 103 PHE CA . 50777 1 364 . 1 . 1 80 80 PHE CB C 13 36.6 0.2 . 1 . . . . . 103 PHE CB . 50777 1 365 . 1 . 1 80 80 PHE N N 15 133.0 0.2 . 1 . . . . . 103 PHE N . 50777 1 366 . 1 . 1 81 81 LYS H H 1 8.72 0.02 . 1 . . . . . 104 LYS H . 50777 1 367 . 1 . 1 81 81 LYS C C 13 178.3 0.2 . 1 . . . . . 104 LYS C . 50777 1 368 . 1 . 1 81 81 LYS CA C 13 55.5 0.2 . 1 . . . . . 104 LYS CA . 50777 1 369 . 1 . 1 81 81 LYS CB C 13 31.5 0.2 . 1 . . . . . 104 LYS CB . 50777 1 370 . 1 . 1 81 81 LYS N N 15 127.0 0.2 . 1 . . . . . 104 LYS N . 50777 1 371 . 1 . 1 82 82 TRP H H 1 9.48 0.02 . 1 . . . . . 105 TRP H . 50777 1 372 . 1 . 1 82 82 TRP C C 13 175.9 0.2 . 1 . . . . . 105 TRP C . 50777 1 373 . 1 . 1 82 82 TRP CA C 13 56.0 0.2 . 1 . . . . . 105 TRP CA . 50777 1 374 . 1 . 1 82 82 TRP CB C 13 26.8 0.2 . 1 . . . . . 105 TRP CB . 50777 1 375 . 1 . 1 82 82 TRP N N 15 127.1 0.2 . 1 . . . . . 105 TRP N . 50777 1 376 . 1 . 1 83 83 ASP H H 1 7.98 0.02 . 1 . . . . . 106 ASP H . 50777 1 377 . 1 . 1 83 83 ASP C C 13 175.8 0.2 . 1 . . . . . 106 ASP C . 50777 1 378 . 1 . 1 83 83 ASP CA C 13 53.5 0.2 . 1 . . . . . 106 ASP CA . 50777 1 379 . 1 . 1 83 83 ASP CB C 13 39.7 0.2 . 1 . . . . . 106 ASP CB . 50777 1 380 . 1 . 1 83 83 ASP N N 15 131.4 0.2 . 1 . . . . . 106 ASP N . 50777 1 381 . 1 . 1 85 85 LYS H H 1 7.49 0.02 . 1 . . . . . 108 LYS H . 50777 1 382 . 1 . 1 85 85 LYS C C 13 176.8 0.2 . 1 . . . . . 108 LYS C . 50777 1 383 . 1 . 1 85 85 LYS CA C 13 55.1 0.2 . 1 . . . . . 108 LYS CA . 50777 1 384 . 1 . 1 85 85 LYS CB C 13 31.5 0.2 . 1 . . . . . 108 LYS CB . 50777 1 385 . 1 . 1 85 85 LYS N N 15 121.7 0.2 . 1 . . . . . 108 LYS N . 50777 1 386 . 1 . 1 86 86 LYS H H 1 8.47 0.02 . 1 . . . . . 109 LYS H . 50777 1 387 . 1 . 1 86 86 LYS C C 13 178.2 0.2 . 1 . . . . . 109 LYS C . 50777 1 388 . 1 . 1 86 86 LYS CA C 13 56.8 0.2 . 1 . . . . . 109 LYS CA . 50777 1 389 . 1 . 1 86 86 LYS CB C 13 31.5 0.2 . 1 . . . . . 109 LYS CB . 50777 1 390 . 1 . 1 86 86 LYS N N 15 124.6 0.2 . 1 . . . . . 109 LYS N . 50777 1 391 . 1 . 1 87 87 ARG H H 1 9.99 0.02 . 1 . . . . . 110 ARG H . 50777 1 392 . 1 . 1 87 87 ARG C C 13 176.9 0.2 . 1 . . . . . 110 ARG C . 50777 1 393 . 1 . 1 87 87 ARG CA C 13 54.2 0.2 . 1 . . . . . 110 ARG CA . 50777 1 394 . 1 . 1 87 87 ARG CB C 13 34.2 0.2 . 1 . . . . . 110 ARG CB . 50777 1 395 . 1 . 1 87 87 ARG N N 15 127.9 0.2 . 1 . . . . . 110 ARG N . 50777 1 396 . 1 . 1 91 91 MET H H 1 7.96 0.02 . 1 . . . . . 114 MET H . 50777 1 397 . 1 . 1 91 91 MET C C 13 175.8 0.2 . 1 . . . . . 114 MET C . 50777 1 398 . 1 . 1 91 91 MET CA C 13 57.3 0.2 . 1 . . . . . 114 MET CA . 50777 1 399 . 1 . 1 91 91 MET CB C 13 30.6 0.2 . 1 . . . . . 114 MET CB . 50777 1 400 . 1 . 1 91 91 MET N N 15 114.2 0.2 . 1 . . . . . 114 MET N . 50777 1 401 . 1 . 1 92 92 TRP H H 1 7.51 0.02 . 1 . . . . . 115 TRP H . 50777 1 402 . 1 . 1 92 92 TRP C C 13 176.4 0.2 . 1 . . . . . 115 TRP C . 50777 1 403 . 1 . 1 92 92 TRP CA C 13 53.1 0.2 . 1 . . . . . 115 TRP CA . 50777 1 404 . 1 . 1 92 92 TRP CB C 13 29.7 0.2 . 1 . . . . . 115 TRP CB . 50777 1 405 . 1 . 1 92 92 TRP N N 15 114.6 0.2 . 1 . . . . . 115 TRP N . 50777 1 406 . 1 . 1 93 93 GLU H H 1 7.52 0.02 . 1 . . . . . 116 GLU H . 50777 1 407 . 1 . 1 93 93 GLU C C 13 173.2 0.2 . 1 . . . . . 116 GLU C . 50777 1 408 . 1 . 1 93 93 GLU CA C 13 54.2 0.2 . 1 . . . . . 116 GLU CA . 50777 1 409 . 1 . 1 93 93 GLU CB C 13 24.0 0.2 . 1 . . . . . 116 GLU CB . 50777 1 410 . 1 . 1 93 93 GLU N N 15 125.5 0.2 . 1 . . . . . 116 GLU N . 50777 1 411 . 1 . 1 94 94 LYS H H 1 7.43 0.02 . 1 . . . . . 117 LYS H . 50777 1 412 . 1 . 1 94 94 LYS C C 13 174.1 0.2 . 1 . . . . . 117 LYS C . 50777 1 413 . 1 . 1 94 94 LYS CA C 13 54.3 0.2 . 1 . . . . . 117 LYS CA . 50777 1 414 . 1 . 1 94 94 LYS CB C 13 32.9 0.2 . 1 . . . . . 117 LYS CB . 50777 1 415 . 1 . 1 94 94 LYS N N 15 116.3 0.2 . 1 . . . . . 117 LYS N . 50777 1 416 . 1 . 1 95 95 ASP H H 1 8.80 0.02 . 1 . . . . . 118 ASP H . 50777 1 417 . 1 . 1 95 95 ASP C C 13 176.2 0.2 . 1 . . . . . 118 ASP C . 50777 1 418 . 1 . 1 95 95 ASP CA C 13 53.9 0.2 . 1 . . . . . 118 ASP CA . 50777 1 419 . 1 . 1 95 95 ASP CB C 13 39.6 0.2 . 1 . . . . . 118 ASP CB . 50777 1 420 . 1 . 1 95 95 ASP N N 15 125.6 0.2 . 1 . . . . . 118 ASP N . 50777 1 421 . 1 . 1 96 96 MET H H 1 8.45 0.02 . 1 . . . . . 119 MET H . 50777 1 422 . 1 . 1 96 96 MET C C 13 174.8 0.2 . 1 . . . . . 119 MET C . 50777 1 423 . 1 . 1 96 96 MET CA C 13 55.3 0.2 . 1 . . . . . 119 MET CA . 50777 1 424 . 1 . 1 96 96 MET CB C 13 38.7 0.2 . 1 . . . . . 119 MET CB . 50777 1 425 . 1 . 1 96 96 MET N N 15 119.9 0.2 . 1 . . . . . 119 MET N . 50777 1 426 . 1 . 1 97 97 THR H H 1 8.53 0.02 . 1 . . . . . 120 THR H . 50777 1 427 . 1 . 1 97 97 THR C C 13 176.4 0.2 . 1 . . . . . 120 THR C . 50777 1 428 . 1 . 1 97 97 THR CA C 13 59.7 0.2 . 1 . . . . . 120 THR CA . 50777 1 429 . 1 . 1 97 97 THR CB C 13 72.1 0.2 . 1 . . . . . 120 THR CB . 50777 1 430 . 1 . 1 97 97 THR N N 15 112.0 0.2 . 1 . . . . . 120 THR N . 50777 1 431 . 1 . 1 98 98 LEU H H 1 10.25 0.02 . 1 . . . . . 121 LEU H . 50777 1 432 . 1 . 1 98 98 LEU C C 13 181.7 0.2 . 1 . . . . . 121 LEU C . 50777 1 433 . 1 . 1 98 98 LEU CA C 13 57.6 0.2 . 1 . . . . . 121 LEU CA . 50777 1 434 . 1 . 1 98 98 LEU CB C 13 40.9 0.2 . 1 . . . . . 121 LEU CB . 50777 1 435 . 1 . 1 98 98 LEU N N 15 120.9 0.2 . 1 . . . . . 121 LEU N . 50777 1 436 . 1 . 1 99 99 GLY H H 1 9.57 0.02 . 1 . . . . . 122 GLY H . 50777 1 437 . 1 . 1 99 99 GLY C C 13 177.4 0.2 . 1 . . . . . 122 GLY C . 50777 1 438 . 1 . 1 99 99 GLY CA C 13 45.8 0.2 . 1 . . . . . 122 GLY CA . 50777 1 439 . 1 . 1 99 99 GLY N N 15 111.7 0.2 . 1 . . . . . 122 GLY N . 50777 1 440 . 1 . 1 100 100 GLU H H 1 7.78 0.02 . 1 . . . . . 123 GLU H . 50777 1 441 . 1 . 1 100 100 GLU C C 13 178.8 0.2 . 1 . . . . . 123 GLU C . 50777 1 442 . 1 . 1 100 100 GLU CA C 13 58.5 0.2 . 1 . . . . . 123 GLU CA . 50777 1 443 . 1 . 1 100 100 GLU CB C 13 29.5 0.2 . 1 . . . . . 123 GLU CB . 50777 1 444 . 1 . 1 100 100 GLU N N 15 127.0 0.2 . 1 . . . . . 123 GLU N . 50777 1 445 . 1 . 1 101 101 ALA H H 1 8.60 0.02 . 1 . . . . . 124 ALA H . 50777 1 446 . 1 . 1 101 101 ALA C C 13 179.8 0.2 . 1 . . . . . 124 ALA C . 50777 1 447 . 1 . 1 101 101 ALA CA C 13 54.2 0.2 . 1 . . . . . 124 ALA CA . 50777 1 448 . 1 . 1 101 101 ALA CB C 13 18.8 0.2 . 1 . . . . . 124 ALA CB . 50777 1 449 . 1 . 1 101 101 ALA N N 15 119.8 0.2 . 1 . . . . . 124 ALA N . 50777 1 450 . 1 . 1 102 102 MET H H 1 8.39 0.02 . 1 . . . . . 125 MET H . 50777 1 451 . 1 . 1 102 102 MET C C 13 178.4 0.2 . 1 . . . . . 125 MET C . 50777 1 452 . 1 . 1 102 102 MET CA C 13 57.8 0.2 . 1 . . . . . 125 MET CA . 50777 1 453 . 1 . 1 102 102 MET CB C 13 31.5 0.2 . 1 . . . . . 125 MET CB . 50777 1 454 . 1 . 1 102 102 MET N N 15 121.5 0.2 . 1 . . . . . 125 MET N . 50777 1 455 . 1 . 1 103 103 ALA H H 1 7.31 0.02 . 1 . . . . . 126 ALA H . 50777 1 456 . 1 . 1 103 103 ALA C C 13 180.6 0.2 . 1 . . . . . 126 ALA C . 50777 1 457 . 1 . 1 103 103 ALA CA C 13 54.6 0.2 . 1 . . . . . 126 ALA CA . 50777 1 458 . 1 . 1 103 103 ALA CB C 13 17.5 0.2 . 1 . . . . . 126 ALA CB . 50777 1 459 . 1 . 1 103 103 ALA N N 15 122.2 0.2 . 1 . . . . . 126 ALA N . 50777 1 460 . 1 . 1 104 104 LEU H H 1 7.85 0.02 . 1 . . . . . 127 LEU H . 50777 1 461 . 1 . 1 104 104 LEU C C 13 176.7 0.2 . 1 . . . . . 127 LEU C . 50777 1 462 . 1 . 1 104 104 LEU CA C 13 54.0 0.2 . 1 . . . . . 127 LEU CA . 50777 1 463 . 1 . 1 104 104 LEU CB C 13 42.1 0.2 . 1 . . . . . 127 LEU CB . 50777 1 464 . 1 . 1 104 104 LEU N N 15 115.0 0.2 . 1 . . . . . 127 LEU N . 50777 1 465 . 1 . 1 105 105 SER H H 1 7.98 0.02 . 1 . . . . . 128 SER H . 50777 1 466 . 1 . 1 105 105 SER C C 13 174.2 0.2 . 1 . . . . . 128 SER C . 50777 1 467 . 1 . 1 105 105 SER CA C 13 58.1 0.2 . 1 . . . . . 128 SER CA . 50777 1 468 . 1 . 1 105 105 SER CB C 13 62.1 0.2 . 1 . . . . . 128 SER CB . 50777 1 469 . 1 . 1 105 105 SER N N 15 121.2 0.2 . 1 . . . . . 128 SER N . 50777 1 470 . 1 . 1 106 106 ALA H H 1 8.66 0.02 . 1 . . . . . 129 ALA H . 50777 1 471 . 1 . 1 106 106 ALA C C 13 174.3 0.2 . 1 . . . . . 129 ALA C . 50777 1 472 . 1 . 1 106 106 ALA CA C 13 50.1 0.2 . 1 . . . . . 129 ALA CA . 50777 1 473 . 1 . 1 106 106 ALA CB C 13 16.0 0.2 . 1 . . . . . 129 ALA CB . 50777 1 474 . 1 . 1 106 106 ALA N N 15 119.3 0.2 . 1 . . . . . 129 ALA N . 50777 1 475 . 1 . 1 107 107 VAL H H 1 6.85 0.02 . 1 . . . . . 130 VAL H . 50777 1 476 . 1 . 1 107 107 VAL C C 13 173.7 0.2 . 1 . . . . . 130 VAL C . 50777 1 477 . 1 . 1 107 107 VAL CA C 13 65.5 0.2 . 1 . . . . . 130 VAL CA . 50777 1 478 . 1 . 1 107 107 VAL CB C 13 30.7 0.2 . 1 . . . . . 130 VAL CB . 50777 1 479 . 1 . 1 107 107 VAL N N 15 129.0 0.2 . 1 . . . . . 130 VAL N . 50777 1 480 . 1 . 1 109 109 VAL H H 1 6.92 0.02 . 1 . . . . . 132 VAL H . 50777 1 481 . 1 . 1 109 109 VAL C C 13 176.4 0.2 . 1 . . . . . 132 VAL C . 50777 1 482 . 1 . 1 109 109 VAL CA C 13 65.3 0.2 . 1 . . . . . 132 VAL CA . 50777 1 483 . 1 . 1 109 109 VAL CB C 13 30.9 0.2 . 1 . . . . . 132 VAL CB . 50777 1 484 . 1 . 1 109 109 VAL N N 15 118.2 0.2 . 1 . . . . . 132 VAL N . 50777 1 485 . 1 . 1 110 110 TYR H H 1 6.80 0.02 . 1 . . . . . 133 TYR H . 50777 1 486 . 1 . 1 110 110 TYR C C 13 179.7 0.2 . 1 . . . . . 133 TYR C . 50777 1 487 . 1 . 1 110 110 TYR CA C 13 61.8 0.2 . 1 . . . . . 133 TYR CA . 50777 1 488 . 1 . 1 110 110 TYR CB C 13 37.4 0.2 . 1 . . . . . 133 TYR CB . 50777 1 489 . 1 . 1 110 110 TYR N N 15 119.0 0.2 . 1 . . . . . 133 TYR N . 50777 1 490 . 1 . 1 111 111 GLN H H 1 9.04 0.02 . 1 . . . . . 134 GLN H . 50777 1 491 . 1 . 1 111 111 GLN C C 13 177.6 0.2 . 1 . . . . . 134 GLN C . 50777 1 492 . 1 . 1 111 111 GLN CA C 13 59.9 0.2 . 1 . . . . . 134 GLN CA . 50777 1 493 . 1 . 1 111 111 GLN CB C 13 28.5 0.2 . 1 . . . . . 134 GLN CB . 50777 1 494 . 1 . 1 111 111 GLN N N 15 122.8 0.2 . 1 . . . . . 134 GLN N . 50777 1 495 . 1 . 1 112 112 GLU H H 1 7.49 0.02 . 1 . . . . . 135 GLU H . 50777 1 496 . 1 . 1 112 112 GLU C C 13 179.4 0.2 . 1 . . . . . 135 GLU C . 50777 1 497 . 1 . 1 112 112 GLU CA C 13 59.3 0.2 . 1 . . . . . 135 GLU CA . 50777 1 498 . 1 . 1 112 112 GLU CB C 13 27.4 0.2 . 1 . . . . . 135 GLU CB . 50777 1 499 . 1 . 1 112 112 GLU N N 15 121.3 0.2 . 1 . . . . . 135 GLU N . 50777 1 500 . 1 . 1 113 113 LEU H H 1 7.86 0.02 . 1 . . . . . 136 LEU H . 50777 1 501 . 1 . 1 113 113 LEU C C 13 177.7 0.2 . 1 . . . . . 136 LEU C . 50777 1 502 . 1 . 1 113 113 LEU CA C 13 57.9 0.2 . 1 . . . . . 136 LEU CA . 50777 1 503 . 1 . 1 113 113 LEU CB C 13 40.7 0.2 . 1 . . . . . 136 LEU CB . 50777 1 504 . 1 . 1 113 113 LEU N N 15 119.9 0.2 . 1 . . . . . 136 LEU N . 50777 1 505 . 1 . 1 114 114 ALA H H 1 8.18 0.02 . 1 . . . . . 137 ALA H . 50777 1 506 . 1 . 1 114 114 ALA C C 13 179.1 0.2 . 1 . . . . . 137 ALA C . 50777 1 507 . 1 . 1 114 114 ALA CA C 13 55.3 0.2 . 1 . . . . . 137 ALA CA . 50777 1 508 . 1 . 1 114 114 ALA CB C 13 17.9 0.2 . 1 . . . . . 137 ALA CB . 50777 1 509 . 1 . 1 114 114 ALA N N 15 121.2 0.2 . 1 . . . . . 137 ALA N . 50777 1 510 . 1 . 1 115 115 ARG H H 1 8.11 0.02 . 1 . . . . . 138 ARG H . 50777 1 511 . 1 . 1 115 115 ARG CA C 13 59.2 0.2 . 1 . . . . . 138 ARG CA . 50777 1 512 . 1 . 1 115 115 ARG CB C 13 29.9 0.2 . 1 . . . . . 138 ARG CB . 50777 1 513 . 1 . 1 115 115 ARG N N 15 115.8 0.2 . 1 . . . . . 138 ARG N . 50777 1 514 . 1 . 1 117 117 THR H H 1 8.10 0.02 . 1 . . . . . 140 THR H . 50777 1 515 . 1 . 1 117 117 THR C C 13 175.9 0.2 . 1 . . . . . 140 THR C . 50777 1 516 . 1 . 1 117 117 THR CA C 13 67.1 0.2 . 1 . . . . . 140 THR CA . 50777 1 517 . 1 . 1 117 117 THR CB C 13 68.5 0.2 . 1 . . . . . 140 THR CB . 50777 1 518 . 1 . 1 117 117 THR N N 15 120.3 0.2 . 1 . . . . . 140 THR N . 50777 1 519 . 1 . 1 118 118 GLY H H 1 8.33 0.02 . 1 . . . . . 141 GLY H . 50777 1 520 . 1 . 1 118 118 GLY C C 13 172.8 0.2 . 1 . . . . . 141 GLY C . 50777 1 521 . 1 . 1 118 118 GLY CA C 13 43.8 0.2 . 1 . . . . . 141 GLY CA . 50777 1 522 . 1 . 1 118 118 GLY N N 15 108.0 0.2 . 1 . . . . . 141 GLY N . 50777 1 523 . 1 . 1 119 119 LEU H H 1 8.58 0.02 . 1 . . . . . 142 LEU H . 50777 1 524 . 1 . 1 119 119 LEU C C 13 177.8 0.2 . 1 . . . . . 142 LEU C . 50777 1 525 . 1 . 1 119 119 LEU CA C 13 58.5 0.2 . 1 . . . . . 142 LEU CA . 50777 1 526 . 1 . 1 119 119 LEU CB C 13 42.5 0.2 . 1 . . . . . 142 LEU CB . 50777 1 527 . 1 . 1 119 119 LEU N N 15 121.3 0.2 . 1 . . . . . 142 LEU N . 50777 1 528 . 1 . 1 120 120 GLU H H 1 8.43 0.02 . 1 . . . . . 143 GLU H . 50777 1 529 . 1 . 1 120 120 GLU C C 13 179.6 0.2 . 1 . . . . . 143 GLU C . 50777 1 530 . 1 . 1 120 120 GLU CA C 13 59.8 0.2 . 1 . . . . . 143 GLU CA . 50777 1 531 . 1 . 1 120 120 GLU CB C 13 28.6 0.2 . 1 . . . . . 143 GLU CB . 50777 1 532 . 1 . 1 120 120 GLU N N 15 118.0 0.2 . 1 . . . . . 143 GLU N . 50777 1 533 . 1 . 1 121 121 LEU H H 1 8.90 0.02 . 1 . . . . . 144 LEU H . 50777 1 534 . 1 . 1 121 121 LEU C C 13 178.2 0.2 . 1 . . . . . 144 LEU C . 50777 1 535 . 1 . 1 121 121 LEU CA C 13 56.7 0.2 . 1 . . . . . 144 LEU CA . 50777 1 536 . 1 . 1 121 121 LEU CB C 13 39.6 0.2 . 1 . . . . . 144 LEU CB . 50777 1 537 . 1 . 1 121 121 LEU N N 15 122.0 0.2 . 1 . . . . . 144 LEU N . 50777 1 538 . 1 . 1 122 122 MET H H 1 8.36 0.02 . 1 . . . . . 145 MET H . 50777 1 539 . 1 . 1 122 122 MET C C 13 178.1 0.2 . 1 . . . . . 145 MET C . 50777 1 540 . 1 . 1 122 122 MET CA C 13 57.8 0.2 . 1 . . . . . 145 MET CA . 50777 1 541 . 1 . 1 122 122 MET CB C 13 30.3 0.2 . 1 . . . . . 145 MET CB . 50777 1 542 . 1 . 1 122 122 MET N N 15 118.4 0.2 . 1 . . . . . 145 MET N . 50777 1 543 . 1 . 1 123 123 GLN H H 1 8.79 0.02 . 1 . . . . . 146 GLN H . 50777 1 544 . 1 . 1 123 123 GLN C C 13 179.2 0.2 . 1 . . . . . 146 GLN C . 50777 1 545 . 1 . 1 123 123 GLN CA C 13 57.9 0.2 . 1 . . . . . 146 GLN CA . 50777 1 546 . 1 . 1 123 123 GLN CB C 13 27.6 0.2 . 1 . . . . . 146 GLN CB . 50777 1 547 . 1 . 1 123 123 GLN N N 15 118.4 0.2 . 1 . . . . . 146 GLN N . 50777 1 548 . 1 . 1 124 124 LYS H H 1 7.95 0.02 . 1 . . . . . 147 LYS H . 50777 1 549 . 1 . 1 124 124 LYS C C 13 180.2 0.2 . 1 . . . . . 147 LYS C . 50777 1 550 . 1 . 1 124 124 LYS CA C 13 59.4 0.2 . 1 . . . . . 147 LYS CA . 50777 1 551 . 1 . 1 124 124 LYS CB C 13 31.8 0.2 . 1 . . . . . 147 LYS CB . 50777 1 552 . 1 . 1 124 124 LYS N N 15 121.7 0.2 . 1 . . . . . 147 LYS N . 50777 1 553 . 1 . 1 125 125 GLU H H 1 8.78 0.02 . 1 . . . . . 148 GLU H . 50777 1 554 . 1 . 1 125 125 GLU C C 13 178.9 0.2 . 1 . . . . . 148 GLU C . 50777 1 555 . 1 . 1 125 125 GLU CA C 13 57.9 0.2 . 1 . . . . . 148 GLU CA . 50777 1 556 . 1 . 1 125 125 GLU CB C 13 30.8 0.2 . 1 . . . . . 148 GLU CB . 50777 1 557 . 1 . 1 125 125 GLU N N 15 120.8 0.2 . 1 . . . . . 148 GLU N . 50777 1 558 . 1 . 1 126 126 VAL H H 1 8.64 0.02 . 1 . . . . . 149 VAL H . 50777 1 559 . 1 . 1 126 126 VAL C C 13 178.1 0.2 . 1 . . . . . 149 VAL C . 50777 1 560 . 1 . 1 126 126 VAL CA C 13 67.1 0.2 . 1 . . . . . 149 VAL CA . 50777 1 561 . 1 . 1 126 126 VAL CB C 13 30.7 0.2 . 1 . . . . . 149 VAL CB . 50777 1 562 . 1 . 1 126 126 VAL N N 15 119.7 0.2 . 1 . . . . . 149 VAL N . 50777 1 563 . 1 . 1 127 127 LYS H H 1 7.65 0.02 . 1 . . . . . 150 LYS H . 50777 1 564 . 1 . 1 127 127 LYS C C 13 179.0 0.2 . 1 . . . . . 150 LYS C . 50777 1 565 . 1 . 1 127 127 LYS CA C 13 59.1 0.2 . 1 . . . . . 150 LYS CA . 50777 1 566 . 1 . 1 127 127 LYS CB C 13 31.2 0.2 . 1 . . . . . 150 LYS CB . 50777 1 567 . 1 . 1 127 127 LYS N N 15 117.8 0.2 . 1 . . . . . 150 LYS N . 50777 1 568 . 1 . 1 128 128 ARG H H 1 8.41 0.02 . 1 . . . . . 151 ARG H . 50777 1 569 . 1 . 1 128 128 ARG C C 13 178.1 0.2 . 1 . . . . . 151 ARG C . 50777 1 570 . 1 . 1 128 128 ARG CA C 13 59.2 0.2 . 1 . . . . . 151 ARG CA . 50777 1 571 . 1 . 1 128 128 ARG CB C 13 30.3 0.2 . 1 . . . . . 151 ARG CB . 50777 1 572 . 1 . 1 128 128 ARG N N 15 123.1 0.2 . 1 . . . . . 151 ARG N . 50777 1 573 . 1 . 1 129 129 VAL H H 1 7.77 0.02 . 1 . . . . . 152 VAL H . 50777 1 574 . 1 . 1 129 129 VAL C C 13 174.9 0.2 . 1 . . . . . 152 VAL C . 50777 1 575 . 1 . 1 129 129 VAL CA C 13 61.2 0.2 . 1 . . . . . 152 VAL CA . 50777 1 576 . 1 . 1 129 129 VAL CB C 13 30.9 0.2 . 1 . . . . . 152 VAL CB . 50777 1 577 . 1 . 1 129 129 VAL N N 15 112.9 0.2 . 1 . . . . . 152 VAL N . 50777 1 578 . 1 . 1 130 130 ASN H H 1 7.92 0.02 . 1 . . . . . 153 ASN H . 50777 1 579 . 1 . 1 130 130 ASN C C 13 173.6 0.2 . 1 . . . . . 153 ASN C . 50777 1 580 . 1 . 1 130 130 ASN CA C 13 53.3 0.2 . 1 . . . . . 153 ASN CA . 50777 1 581 . 1 . 1 130 130 ASN CB C 13 36.5 0.2 . 1 . . . . . 153 ASN CB . 50777 1 582 . 1 . 1 130 130 ASN N N 15 121.1 0.2 . 1 . . . . . 153 ASN N . 50777 1 583 . 1 . 1 131 131 PHE H H 1 7.15 0.02 . 1 . . . . . 154 PHE H . 50777 1 584 . 1 . 1 131 131 PHE C C 13 173.8 0.2 . 1 . . . . . 154 PHE C . 50777 1 585 . 1 . 1 131 131 PHE CA C 13 57.6 0.2 . 1 . . . . . 154 PHE CA . 50777 1 586 . 1 . 1 131 131 PHE CB C 13 39.9 0.2 . 1 . . . . . 154 PHE CB . 50777 1 587 . 1 . 1 131 131 PHE N N 15 119.1 0.2 . 1 . . . . . 154 PHE N . 50777 1 588 . 1 . 1 132 132 GLY H H 1 8.39 0.02 . 1 . . . . . 155 GLY H . 50777 1 589 . 1 . 1 132 132 GLY C C 13 174.2 0.2 . 1 . . . . . 155 GLY C . 50777 1 590 . 1 . 1 132 132 GLY CA C 13 45.2 0.2 . 1 . . . . . 155 GLY CA . 50777 1 591 . 1 . 1 132 132 GLY N N 15 117.1 0.2 . 1 . . . . . 155 GLY N . 50777 1 592 . 1 . 1 133 133 ASN H H 1 8.96 0.02 . 1 . . . . . 156 ASN H . 50777 1 593 . 1 . 1 133 133 ASN C C 13 178.6 0.2 . 1 . . . . . 156 ASN C . 50777 1 594 . 1 . 1 133 133 ASN CA C 13 52.1 0.2 . 1 . . . . . 156 ASN CA . 50777 1 595 . 1 . 1 133 133 ASN CB C 13 36.2 0.2 . 1 . . . . . 156 ASN CB . 50777 1 596 . 1 . 1 133 133 ASN N N 15 123.7 0.2 . 1 . . . . . 156 ASN N . 50777 1 597 . 1 . 1 134 134 THR H H 1 8.26 0.02 . 1 . . . . . 157 THR H . 50777 1 598 . 1 . 1 134 134 THR C C 13 170.8 0.2 . 1 . . . . . 157 THR C . 50777 1 599 . 1 . 1 134 134 THR CA C 13 63.6 0.2 . 1 . . . . . 157 THR CA . 50777 1 600 . 1 . 1 134 134 THR CB C 13 71.5 0.2 . 1 . . . . . 157 THR CB . 50777 1 601 . 1 . 1 134 134 THR N N 15 110.1 0.2 . 1 . . . . . 157 THR N . 50777 1 602 . 1 . 1 135 135 ASN H H 1 7.59 0.02 . 1 . . . . . 158 ASN H . 50777 1 603 . 1 . 1 135 135 ASN C C 13 173.5 0.2 . 1 . . . . . 158 ASN C . 50777 1 604 . 1 . 1 135 135 ASN CA C 13 51.9 0.2 . 1 . . . . . 158 ASN CA . 50777 1 605 . 1 . 1 135 135 ASN CB C 13 38.6 0.2 . 1 . . . . . 158 ASN CB . 50777 1 606 . 1 . 1 135 135 ASN N N 15 122.2 0.2 . 1 . . . . . 158 ASN N . 50777 1 607 . 1 . 1 136 136 ILE H H 1 7.67 0.02 . 1 . . . . . 159 ILE H . 50777 1 608 . 1 . 1 136 136 ILE C C 13 176.1 0.2 . 1 . . . . . 159 ILE C . 50777 1 609 . 1 . 1 136 136 ILE CA C 13 59.1 0.2 . 1 . . . . . 159 ILE CA . 50777 1 610 . 1 . 1 136 136 ILE CB C 13 36.0 0.2 . 1 . . . . . 159 ILE CB . 50777 1 611 . 1 . 1 136 136 ILE N N 15 113.3 0.2 . 1 . . . . . 159 ILE N . 50777 1 612 . 1 . 1 137 137 GLY H H 1 7.84 0.02 . 1 . . . . . 160 GLY H . 50777 1 613 . 1 . 1 137 137 GLY C C 13 173.7 0.2 . 1 . . . . . 160 GLY C . 50777 1 614 . 1 . 1 137 137 GLY CA C 13 45.6 0.2 . 1 . . . . . 160 GLY CA . 50777 1 615 . 1 . 1 137 137 GLY N N 15 109.0 0.2 . 1 . . . . . 160 GLY N . 50777 1 616 . 1 . 1 138 138 THR H H 1 7.78 0.02 . 1 . . . . . 161 THR H . 50777 1 617 . 1 . 1 138 138 THR C C 13 174.6 0.2 . 1 . . . . . 161 THR C . 50777 1 618 . 1 . 1 138 138 THR CA C 13 61.2 0.2 . 1 . . . . . 161 THR CA . 50777 1 619 . 1 . 1 138 138 THR CB C 13 69.6 0.2 . 1 . . . . . 161 THR CB . 50777 1 620 . 1 . 1 138 138 THR N N 15 109.6 0.2 . 1 . . . . . 161 THR N . 50777 1 621 . 1 . 1 139 139 GLN H H 1 9.35 0.02 . 1 . . . . . 162 GLN H . 50777 1 622 . 1 . 1 139 139 GLN C C 13 175.4 0.2 . 1 . . . . . 162 GLN C . 50777 1 623 . 1 . 1 139 139 GLN CA C 13 54.2 0.2 . 1 . . . . . 162 GLN CA . 50777 1 624 . 1 . 1 139 139 GLN CB C 13 28.1 0.2 . 1 . . . . . 162 GLN CB . 50777 1 625 . 1 . 1 139 139 GLN N N 15 127.3 0.2 . 1 . . . . . 162 GLN N . 50777 1 626 . 1 . 1 140 140 VAL H H 1 8.60 0.02 . 1 . . . . . 163 VAL H . 50777 1 627 . 1 . 1 140 140 VAL C C 13 171.6 0.2 . 1 . . . . . 163 VAL C . 50777 1 628 . 1 . 1 140 140 VAL CA C 13 63.4 0.2 . 1 . . . . . 163 VAL CA . 50777 1 629 . 1 . 1 140 140 VAL CB C 13 32.9 0.2 . 1 . . . . . 163 VAL CB . 50777 1 630 . 1 . 1 140 140 VAL N N 15 124.8 0.2 . 1 . . . . . 163 VAL N . 50777 1 631 . 1 . 1 141 141 ASP H H 1 7.64 0.02 . 1 . . . . . 164 ASP H . 50777 1 632 . 1 . 1 141 141 ASP C C 13 176.5 0.2 . 1 . . . . . 164 ASP C . 50777 1 633 . 1 . 1 141 141 ASP CA C 13 51.8 0.2 . 1 . . . . . 164 ASP CA . 50777 1 634 . 1 . 1 141 141 ASP CB C 13 40.8 0.2 . 1 . . . . . 164 ASP CB . 50777 1 635 . 1 . 1 141 141 ASP N N 15 110.7 0.2 . 1 . . . . . 164 ASP N . 50777 1 636 . 1 . 1 142 142 ASN H H 1 6.80 0.02 . 1 . . . . . 165 ASN H . 50777 1 637 . 1 . 1 142 142 ASN C C 13 178.0 0.2 . 1 . . . . . 165 ASN C . 50777 1 638 . 1 . 1 142 142 ASN CA C 13 51.9 0.2 . 1 . . . . . 165 ASN CA . 50777 1 639 . 1 . 1 142 142 ASN CB C 13 38.9 0.2 . 1 . . . . . 165 ASN CB . 50777 1 640 . 1 . 1 142 142 ASN N N 15 111.4 0.2 . 1 . . . . . 165 ASN N . 50777 1 641 . 1 . 1 143 143 PHE H H 1 6.61 0.02 . 1 . . . . . 166 PHE H . 50777 1 642 . 1 . 1 143 143 PHE C C 13 175.9 0.2 . 1 . . . . . 166 PHE C . 50777 1 643 . 1 . 1 143 143 PHE CA C 13 57.8 0.2 . 1 . . . . . 166 PHE CA . 50777 1 644 . 1 . 1 143 143 PHE CB C 13 38.8 0.2 . 1 . . . . . 166 PHE CB . 50777 1 645 . 1 . 1 143 143 PHE N N 15 116.6 0.2 . 1 . . . . . 166 PHE N . 50777 1 646 . 1 . 1 144 144 TRP H H 1 6.24 0.02 . 1 . . . . . 167 TRP H . 50777 1 647 . 1 . 1 144 144 TRP HE1 H 1 11.33 0.02 . 1 . . . . . 167 TRP HE1 . 50777 1 648 . 1 . 1 144 144 TRP C C 13 173.7 0.2 . 1 . . . . . 167 TRP C . 50777 1 649 . 1 . 1 144 144 TRP CA C 13 57.7 0.2 . 1 . . . . . 167 TRP CA . 50777 1 650 . 1 . 1 144 144 TRP CB C 13 28.5 0.2 . 1 . . . . . 167 TRP CB . 50777 1 651 . 1 . 1 144 144 TRP N N 15 118.0 0.2 . 1 . . . . . 167 TRP N . 50777 1 652 . 1 . 1 144 144 TRP NE1 N 15 132.6 0.2 . 1 . . . . . 167 TRP NE1 . 50777 1 653 . 1 . 1 145 145 LEU H H 1 6.82 0.02 . 1 . . . . . 168 LEU H . 50777 1 654 . 1 . 1 145 145 LEU C C 13 178.0 0.2 . 1 . . . . . 168 LEU C . 50777 1 655 . 1 . 1 145 145 LEU CA C 13 55.8 0.2 . 1 . . . . . 168 LEU CA . 50777 1 656 . 1 . 1 145 145 LEU CB C 13 42.4 0.2 . 1 . . . . . 168 LEU CB . 50777 1 657 . 1 . 1 145 145 LEU N N 15 121.2 0.2 . 1 . . . . . 168 LEU N . 50777 1 658 . 1 . 1 146 146 VAL H H 1 6.81 0.02 . 1 . . . . . 169 VAL H . 50777 1 659 . 1 . 1 146 146 VAL C C 13 177.0 0.2 . 1 . . . . . 169 VAL C . 50777 1 660 . 1 . 1 146 146 VAL CA C 13 59.3 0.2 . 1 . . . . . 169 VAL CA . 50777 1 661 . 1 . 1 146 146 VAL CB C 13 31.9 0.2 . 1 . . . . . 169 VAL CB . 50777 1 662 . 1 . 1 146 146 VAL N N 15 105.5 0.2 . 1 . . . . . 169 VAL N . 50777 1 663 . 1 . 1 147 147 GLY H H 1 7.05 0.02 . 1 . . . . . 170 GLY H . 50777 1 664 . 1 . 1 147 147 GLY C C 13 172.1 0.2 . 1 . . . . . 170 GLY C . 50777 1 665 . 1 . 1 147 147 GLY CA C 13 43.3 0.2 . 1 . . . . . 170 GLY CA . 50777 1 666 . 1 . 1 147 147 GLY N N 15 112.3 0.2 . 1 . . . . . 170 GLY N . 50777 1 667 . 1 . 1 149 149 LEU H H 1 6.86 0.02 . 1 . . . . . 172 LEU H . 50777 1 668 . 1 . 1 149 149 LEU C C 13 174.6 0.2 . 1 . . . . . 172 LEU C . 50777 1 669 . 1 . 1 149 149 LEU CA C 13 56.2 0.2 . 1 . . . . . 172 LEU CA . 50777 1 670 . 1 . 1 149 149 LEU CB C 13 41.9 0.2 . 1 . . . . . 172 LEU CB . 50777 1 671 . 1 . 1 149 149 LEU N N 15 128.1 0.2 . 1 . . . . . 172 LEU N . 50777 1 672 . 1 . 1 150 150 LYS H H 1 7.44 0.02 . 1 . . . . . 173 LYS H . 50777 1 673 . 1 . 1 150 150 LYS C C 13 173.7 0.2 . 1 . . . . . 173 LYS C . 50777 1 674 . 1 . 1 150 150 LYS CA C 13 53.5 0.2 . 1 . . . . . 173 LYS CA . 50777 1 675 . 1 . 1 150 150 LYS CB C 13 38.6 0.2 . 1 . . . . . 173 LYS CB . 50777 1 676 . 1 . 1 150 150 LYS N N 15 120.1 0.2 . 1 . . . . . 173 LYS N . 50777 1 677 . 1 . 1 151 151 ILE H H 1 9.65 0.02 . 1 . . . . . 174 ILE H . 50777 1 678 . 1 . 1 151 151 ILE C C 13 173.1 0.2 . 1 . . . . . 174 ILE C . 50777 1 679 . 1 . 1 151 151 ILE CA C 13 60.1 0.2 . 1 . . . . . 174 ILE CA . 50777 1 680 . 1 . 1 151 151 ILE CB C 13 41.4 0.2 . 1 . . . . . 174 ILE CB . 50777 1 681 . 1 . 1 151 151 ILE N N 15 119.3 0.2 . 1 . . . . . 174 ILE N . 50777 1 682 . 1 . 1 152 152 THR H H 1 8.80 0.02 . 1 . . . . . 175 THR H . 50777 1 683 . 1 . 1 152 152 THR C C 13 176.5 0.2 . 1 . . . . . 175 THR C . 50777 1 684 . 1 . 1 152 152 THR CA C 13 58.7 0.2 . 1 . . . . . 175 THR CA . 50777 1 685 . 1 . 1 152 152 THR CB C 13 69.5 0.2 . 1 . . . . . 175 THR CB . 50777 1 686 . 1 . 1 152 152 THR N N 15 118.7 0.2 . 1 . . . . . 175 THR N . 50777 1 687 . 1 . 1 154 154 VAL H H 1 7.51 0.02 . 1 . . . . . 177 VAL H . 50777 1 688 . 1 . 1 154 154 VAL C C 13 177.6 0.2 . 1 . . . . . 177 VAL C . 50777 1 689 . 1 . 1 154 154 VAL CA C 13 66.3 0.2 . 1 . . . . . 177 VAL CA . 50777 1 690 . 1 . 1 154 154 VAL CB C 13 31.5 0.2 . 1 . . . . . 177 VAL CB . 50777 1 691 . 1 . 1 154 154 VAL N N 15 117.3 0.2 . 1 . . . . . 177 VAL N . 50777 1 692 . 1 . 1 155 155 GLN H H 1 8.17 0.02 . 1 . . . . . 178 GLN H . 50777 1 693 . 1 . 1 155 155 GLN C C 13 181.5 0.2 . 1 . . . . . 178 GLN C . 50777 1 694 . 1 . 1 155 155 GLN CA C 13 58.5 0.2 . 1 . . . . . 178 GLN CA . 50777 1 695 . 1 . 1 155 155 GLN CB C 13 27.2 0.2 . 1 . . . . . 178 GLN CB . 50777 1 696 . 1 . 1 155 155 GLN N N 15 119.5 0.2 . 1 . . . . . 178 GLN N . 50777 1 697 . 1 . 1 156 156 GLU H H 1 8.64 0.02 . 1 . . . . . 179 GLU H . 50777 1 698 . 1 . 1 156 156 GLU C C 13 177.5 0.2 . 1 . . . . . 179 GLU C . 50777 1 699 . 1 . 1 156 156 GLU CA C 13 62.6 0.2 . 1 . . . . . 179 GLU CA . 50777 1 700 . 1 . 1 156 156 GLU CB C 13 24.3 0.2 . 1 . . . . . 179 GLU CB . 50777 1 701 . 1 . 1 156 156 GLU N N 15 121.1 0.2 . 1 . . . . . 179 GLU N . 50777 1 702 . 1 . 1 157 157 VAL H H 1 8.67 0.02 . 1 . . . . . 180 VAL H . 50777 1 703 . 1 . 1 157 157 VAL C C 13 176.8 0.2 . 1 . . . . . 180 VAL C . 50777 1 704 . 1 . 1 157 157 VAL CA C 13 65.6 0.2 . 1 . . . . . 180 VAL CA . 50777 1 705 . 1 . 1 157 157 VAL CB C 13 30.5 0.2 . 1 . . . . . 180 VAL CB . 50777 1 706 . 1 . 1 157 157 VAL N N 15 121.4 0.2 . 1 . . . . . 180 VAL N . 50777 1 707 . 1 . 1 158 158 ASN H H 1 7.95 0.02 . 1 . . . . . 181 ASN H . 50777 1 708 . 1 . 1 158 158 ASN C C 13 177.2 0.2 . 1 . . . . . 181 ASN C . 50777 1 709 . 1 . 1 158 158 ASN CA C 13 55.6 0.2 . 1 . . . . . 181 ASN CA . 50777 1 710 . 1 . 1 158 158 ASN CB C 13 37.4 0.2 . 1 . . . . . 181 ASN CB . 50777 1 711 . 1 . 1 158 158 ASN N N 15 122.1 0.2 . 1 . . . . . 181 ASN N . 50777 1 712 . 1 . 1 159 159 PHE H H 1 8.10 0.02 . 1 . . . . . 182 PHE H . 50777 1 713 . 1 . 1 159 159 PHE C C 13 176.2 0.2 . 1 . . . . . 182 PHE C . 50777 1 714 . 1 . 1 159 159 PHE CA C 13 61.2 0.2 . 1 . . . . . 182 PHE CA . 50777 1 715 . 1 . 1 159 159 PHE CB C 13 37.6 0.2 . 1 . . . . . 182 PHE CB . 50777 1 716 . 1 . 1 159 159 PHE N N 15 123.5 0.2 . 1 . . . . . 182 PHE N . 50777 1 717 . 1 . 1 160 160 ALA H H 1 8.45 0.02 . 1 . . . . . 183 ALA H . 50777 1 718 . 1 . 1 160 160 ALA C C 13 178.0 0.2 . 1 . . . . . 183 ALA C . 50777 1 719 . 1 . 1 160 160 ALA CA C 13 54.8 0.2 . 1 . . . . . 183 ALA CA . 50777 1 720 . 1 . 1 160 160 ALA CB C 13 17.2 0.2 . 1 . . . . . 183 ALA CB . 50777 1 721 . 1 . 1 160 160 ALA N N 15 122.1 0.2 . 1 . . . . . 183 ALA N . 50777 1 722 . 1 . 1 161 161 ASP H H 1 8.38 0.02 . 1 . . . . . 184 ASP H . 50777 1 723 . 1 . 1 161 161 ASP C C 13 178.8 0.2 . 1 . . . . . 184 ASP C . 50777 1 724 . 1 . 1 161 161 ASP CA C 13 56.6 0.2 . 1 . . . . . 184 ASP CA . 50777 1 725 . 1 . 1 161 161 ASP CB C 13 41.9 0.2 . 1 . . . . . 184 ASP CB . 50777 1 726 . 1 . 1 161 161 ASP N N 15 116.6 0.2 . 1 . . . . . 184 ASP N . 50777 1 727 . 1 . 1 162 162 ASP H H 1 7.94 0.02 . 1 . . . . . 185 ASP H . 50777 1 728 . 1 . 1 162 162 ASP C C 13 178.1 0.2 . 1 . . . . . 185 ASP C . 50777 1 729 . 1 . 1 162 162 ASP CA C 13 57.1 0.2 . 1 . . . . . 185 ASP CA . 50777 1 730 . 1 . 1 162 162 ASP CB C 13 39.3 0.2 . 1 . . . . . 185 ASP CB . 50777 1 731 . 1 . 1 162 162 ASP N N 15 119.9 0.2 . 1 . . . . . 185 ASP N . 50777 1 732 . 1 . 1 163 163 LEU H H 1 8.27 0.02 . 1 . . . . . 186 LEU H . 50777 1 733 . 1 . 1 163 163 LEU C C 13 178.5 0.2 . 1 . . . . . 186 LEU C . 50777 1 734 . 1 . 1 163 163 LEU CA C 13 57.0 0.2 . 1 . . . . . 186 LEU CA . 50777 1 735 . 1 . 1 163 163 LEU CB C 13 39.4 0.2 . 1 . . . . . 186 LEU CB . 50777 1 736 . 1 . 1 163 163 LEU N N 15 123.1 0.2 . 1 . . . . . 186 LEU N . 50777 1 737 . 1 . 1 164 164 ALA H H 1 8.14 0.02 . 1 . . . . . 187 ALA H . 50777 1 738 . 1 . 1 164 164 ALA C C 13 178.6 0.2 . 1 . . . . . 187 ALA C . 50777 1 739 . 1 . 1 164 164 ALA CA C 13 54.2 0.2 . 1 . . . . . 187 ALA CA . 50777 1 740 . 1 . 1 164 164 ALA CB C 13 14.7 0.2 . 1 . . . . . 187 ALA CB . 50777 1 741 . 1 . 1 164 164 ALA N N 15 120.4 0.2 . 1 . . . . . 187 ALA N . 50777 1 742 . 1 . 1 165 165 HIS H H 1 6.88 0.02 . 1 . . . . . 188 HIS H . 50777 1 743 . 1 . 1 165 165 HIS C C 13 172.9 0.2 . 1 . . . . . 188 HIS C . 50777 1 744 . 1 . 1 165 165 HIS CA C 13 57.1 0.2 . 1 . . . . . 188 HIS CA . 50777 1 745 . 1 . 1 165 165 HIS CB C 13 27.9 0.2 . 1 . . . . . 188 HIS CB . 50777 1 746 . 1 . 1 165 165 HIS N N 15 111.0 0.2 . 1 . . . . . 188 HIS N . 50777 1 747 . 1 . 1 166 166 ASN H H 1 7.73 0.02 . 1 . . . . . 189 ASN H . 50777 1 748 . 1 . 1 166 166 ASN C C 13 176.4 0.2 . 1 . . . . . 189 ASN C . 50777 1 749 . 1 . 1 166 166 ASN CA C 13 54.2 0.2 . 1 . . . . . 189 ASN CA . 50777 1 750 . 1 . 1 166 166 ASN CB C 13 35.6 0.2 . 1 . . . . . 189 ASN CB . 50777 1 751 . 1 . 1 166 166 ASN N N 15 117.8 0.2 . 1 . . . . . 189 ASN N . 50777 1 752 . 1 . 1 167 167 ARG H H 1 9.18 0.02 . 1 . . . . . 190 ARG H . 50777 1 753 . 1 . 1 167 167 ARG C C 13 178.3 0.2 . 1 . . . . . 190 ARG C . 50777 1 754 . 1 . 1 167 167 ARG CA C 13 55.8 0.2 . 1 . . . . . 190 ARG CA . 50777 1 755 . 1 . 1 167 167 ARG CB C 13 31.0 0.2 . 1 . . . . . 190 ARG CB . 50777 1 756 . 1 . 1 167 167 ARG N N 15 115.1 0.2 . 1 . . . . . 190 ARG N . 50777 1 757 . 1 . 1 168 168 LEU H H 1 7.47 0.02 . 1 . . . . . 191 LEU H . 50777 1 758 . 1 . 1 168 168 LEU C C 13 176.1 0.2 . 1 . . . . . 191 LEU C . 50777 1 759 . 1 . 1 168 168 LEU CA C 13 53.0 0.2 . 1 . . . . . 191 LEU CA . 50777 1 760 . 1 . 1 168 168 LEU CB C 13 41.3 0.2 . 1 . . . . . 191 LEU CB . 50777 1 761 . 1 . 1 168 168 LEU N N 15 119.4 0.2 . 1 . . . . . 191 LEU N . 50777 1 762 . 1 . 1 170 170 PHE H H 1 8.39 0.02 . 1 . . . . . 193 PHE H . 50777 1 763 . 1 . 1 170 170 PHE C C 13 174.9 0.2 . 1 . . . . . 193 PHE C . 50777 1 764 . 1 . 1 170 170 PHE CA C 13 55.5 0.2 . 1 . . . . . 193 PHE CA . 50777 1 765 . 1 . 1 170 170 PHE CB C 13 44.1 0.2 . 1 . . . . . 193 PHE CB . 50777 1 766 . 1 . 1 170 170 PHE N N 15 120.2 0.2 . 1 . . . . . 193 PHE N . 50777 1 767 . 1 . 1 171 171 LYS H H 1 10.36 0.02 . 1 . . . . . 194 LYS H . 50777 1 768 . 1 . 1 171 171 LYS C C 13 178.8 0.2 . 1 . . . . . 194 LYS C . 50777 1 769 . 1 . 1 171 171 LYS CA C 13 57.5 0.2 . 1 . . . . . 194 LYS CA . 50777 1 770 . 1 . 1 171 171 LYS CB C 13 31.4 0.2 . 1 . . . . . 194 LYS CB . 50777 1 771 . 1 . 1 171 171 LYS N N 15 124.5 0.2 . 1 . . . . . 194 LYS N . 50777 1 772 . 1 . 1 172 172 LEU H H 1 8.87 0.02 . 1 . . . . . 195 LEU H . 50777 1 773 . 1 . 1 172 172 LEU C C 13 179.2 0.2 . 1 . . . . . 195 LEU C . 50777 1 774 . 1 . 1 172 172 LEU CA C 13 58.8 0.2 . 1 . . . . . 195 LEU CA . 50777 1 775 . 1 . 1 172 172 LEU CB C 13 40.4 0.2 . 1 . . . . . 195 LEU CB . 50777 1 776 . 1 . 1 172 172 LEU N N 15 126.4 0.2 . 1 . . . . . 195 LEU N . 50777 1 777 . 1 . 1 173 173 GLU H H 1 9.42 0.02 . 1 . . . . . 196 GLU H . 50777 1 778 . 1 . 1 173 173 GLU C C 13 178.4 0.2 . 1 . . . . . 196 GLU C . 50777 1 779 . 1 . 1 173 173 GLU CA C 13 59.4 0.2 . 1 . . . . . 196 GLU CA . 50777 1 780 . 1 . 1 173 173 GLU CB C 13 28.2 0.2 . 1 . . . . . 196 GLU CB . 50777 1 781 . 1 . 1 173 173 GLU N N 15 116.3 0.2 . 1 . . . . . 196 GLU N . 50777 1 782 . 1 . 1 174 174 THR H H 1 6.76 0.02 . 1 . . . . . 197 THR H . 50777 1 783 . 1 . 1 174 174 THR C C 13 175.5 0.2 . 1 . . . . . 197 THR C . 50777 1 784 . 1 . 1 174 174 THR CA C 13 64.9 0.2 . 1 . . . . . 197 THR CA . 50777 1 785 . 1 . 1 174 174 THR CB C 13 68.1 0.2 . 1 . . . . . 197 THR CB . 50777 1 786 . 1 . 1 174 174 THR N N 15 116.0 0.2 . 1 . . . . . 197 THR N . 50777 1 787 . 1 . 1 175 175 GLN H H 1 7.43 0.02 . 1 . . . . . 198 GLN H . 50777 1 788 . 1 . 1 175 175 GLN C C 13 177.8 0.2 . 1 . . . . . 198 GLN C . 50777 1 789 . 1 . 1 175 175 GLN CA C 13 60.0 0.2 . 1 . . . . . 198 GLN CA . 50777 1 790 . 1 . 1 175 175 GLN CB C 13 29.6 0.2 . 1 . . . . . 198 GLN CB . 50777 1 791 . 1 . 1 175 175 GLN N N 15 118.5 0.2 . 1 . . . . . 198 GLN N . 50777 1 792 . 1 . 1 176 176 GLU H H 1 8.63 0.02 . 1 . . . . . 199 GLU H . 50777 1 793 . 1 . 1 176 176 GLU C C 13 179.8 0.2 . 1 . . . . . 199 GLU C . 50777 1 794 . 1 . 1 176 176 GLU CA C 13 58.9 0.2 . 1 . . . . . 199 GLU CA . 50777 1 795 . 1 . 1 176 176 GLU CB C 13 28.5 0.2 . 1 . . . . . 199 GLU CB . 50777 1 796 . 1 . 1 176 176 GLU N N 15 117.7 0.2 . 1 . . . . . 199 GLU N . 50777 1 797 . 1 . 1 177 177 GLU H H 1 8.02 0.02 . 1 . . . . . 200 GLU H . 50777 1 798 . 1 . 1 177 177 GLU C C 13 179.5 0.2 . 1 . . . . . 200 GLU C . 50777 1 799 . 1 . 1 177 177 GLU CA C 13 58.8 0.2 . 1 . . . . . 200 GLU CA . 50777 1 800 . 1 . 1 177 177 GLU CB C 13 28.3 0.2 . 1 . . . . . 200 GLU CB . 50777 1 801 . 1 . 1 177 177 GLU N N 15 118.2 0.2 . 1 . . . . . 200 GLU N . 50777 1 802 . 1 . 1 178 178 VAL H H 1 7.37 0.02 . 1 . . . . . 201 VAL H . 50777 1 803 . 1 . 1 178 178 VAL C C 13 178.2 0.2 . 1 . . . . . 201 VAL C . 50777 1 804 . 1 . 1 178 178 VAL CA C 13 66.0 0.2 . 1 . . . . . 201 VAL CA . 50777 1 805 . 1 . 1 178 178 VAL CB C 13 30.9 0.2 . 1 . . . . . 201 VAL CB . 50777 1 806 . 1 . 1 178 178 VAL N N 15 119.2 0.2 . 1 . . . . . 201 VAL N . 50777 1 807 . 1 . 1 179 179 LYS H H 1 8.35 0.02 . 1 . . . . . 202 LYS H . 50777 1 808 . 1 . 1 179 179 LYS C C 13 178.5 0.2 . 1 . . . . . 202 LYS C . 50777 1 809 . 1 . 1 179 179 LYS CA C 13 61.2 0.2 . 1 . . . . . 202 LYS CA . 50777 1 810 . 1 . 1 179 179 LYS CB C 13 31.0 0.2 . 1 . . . . . 202 LYS CB . 50777 1 811 . 1 . 1 179 179 LYS N N 15 120.3 0.2 . 1 . . . . . 202 LYS N . 50777 1 812 . 1 . 1 181 181 MET H H 1 7.67 0.02 . 1 . . . . . 204 MET H . 50777 1 813 . 1 . 1 181 181 MET C C 13 177.2 0.2 . 1 . . . . . 204 MET C . 50777 1 814 . 1 . 1 181 181 MET CA C 13 56.4 0.2 . 1 . . . . . 204 MET CA . 50777 1 815 . 1 . 1 181 181 MET CB C 13 32.2 0.2 . 1 . . . . . 204 MET CB . 50777 1 816 . 1 . 1 181 181 MET N N 15 115.1 0.2 . 1 . . . . . 204 MET N . 50777 1 817 . 1 . 1 182 182 LEU H H 1 7.53 0.02 . 1 . . . . . 205 LEU H . 50777 1 818 . 1 . 1 182 182 LEU C C 13 175.0 0.2 . 1 . . . . . 205 LEU C . 50777 1 819 . 1 . 1 182 182 LEU CA C 13 54.1 0.2 . 1 . . . . . 205 LEU CA . 50777 1 820 . 1 . 1 182 182 LEU CB C 13 42.4 0.2 . 1 . . . . . 205 LEU CB . 50777 1 821 . 1 . 1 182 182 LEU N N 15 116.5 0.2 . 1 . . . . . 205 LEU N . 50777 1 822 . 1 . 1 183 183 LEU H H 1 6.94 0.02 . 1 . . . . . 206 LEU H . 50777 1 823 . 1 . 1 183 183 LEU C C 13 177.8 0.2 . 1 . . . . . 206 LEU C . 50777 1 824 . 1 . 1 183 183 LEU CA C 13 56.0 0.2 . 1 . . . . . 206 LEU CA . 50777 1 825 . 1 . 1 183 183 LEU CB C 13 39.9 0.2 . 1 . . . . . 206 LEU CB . 50777 1 826 . 1 . 1 183 183 LEU N N 15 121.2 0.2 . 1 . . . . . 206 LEU N . 50777 1 827 . 1 . 1 184 184 ILE H H 1 8.84 0.02 . 1 . . . . . 207 ILE H . 50777 1 828 . 1 . 1 184 184 ILE C C 13 175.9 0.2 . 1 . . . . . 207 ILE C . 50777 1 829 . 1 . 1 184 184 ILE CA C 13 61.0 0.2 . 1 . . . . . 207 ILE CA . 50777 1 830 . 1 . 1 184 184 ILE CB C 13 39.9 0.2 . 1 . . . . . 207 ILE CB . 50777 1 831 . 1 . 1 184 184 ILE N N 15 123.4 0.2 . 1 . . . . . 207 ILE N . 50777 1 832 . 1 . 1 185 185 LYS H H 1 7.28 0.02 . 1 . . . . . 208 LYS H . 50777 1 833 . 1 . 1 185 185 LYS C C 13 172.4 0.2 . 1 . . . . . 208 LYS C . 50777 1 834 . 1 . 1 185 185 LYS CA C 13 56.0 0.2 . 1 . . . . . 208 LYS CA . 50777 1 835 . 1 . 1 185 185 LYS CB C 13 35.0 0.2 . 1 . . . . . 208 LYS CB . 50777 1 836 . 1 . 1 185 185 LYS N N 15 121.3 0.2 . 1 . . . . . 208 LYS N . 50777 1 837 . 1 . 1 186 186 GLU H H 1 8.36 0.02 . 1 . . . . . 209 GLU H . 50777 1 838 . 1 . 1 186 186 GLU C C 13 175.0 0.2 . 1 . . . . . 209 GLU C . 50777 1 839 . 1 . 1 186 186 GLU CA C 13 54.6 0.2 . 1 . . . . . 209 GLU CA . 50777 1 840 . 1 . 1 186 186 GLU CB C 13 31.0 0.2 . 1 . . . . . 209 GLU CB . 50777 1 841 . 1 . 1 186 186 GLU N N 15 125.3 0.2 . 1 . . . . . 209 GLU N . 50777 1 842 . 1 . 1 187 187 VAL H H 1 8.64 0.02 . 1 . . . . . 210 VAL H . 50777 1 843 . 1 . 1 187 187 VAL C C 13 174.2 0.2 . 1 . . . . . 210 VAL C . 50777 1 844 . 1 . 1 187 187 VAL CA C 13 55.2 0.2 . 1 . . . . . 210 VAL CA . 50777 1 845 . 1 . 1 187 187 VAL CB C 13 33.0 0.2 . 1 . . . . . 210 VAL CB . 50777 1 846 . 1 . 1 187 187 VAL N N 15 123.5 0.2 . 1 . . . . . 210 VAL N . 50777 1 847 . 1 . 1 189 189 GLY H H 1 8.69 0.02 . 1 . . . . . 212 GLY H . 50777 1 848 . 1 . 1 189 189 GLY C C 13 174.4 0.2 . 1 . . . . . 212 GLY C . 50777 1 849 . 1 . 1 189 189 GLY CA C 13 45.1 0.2 . 1 . . . . . 212 GLY CA . 50777 1 850 . 1 . 1 189 189 GLY N N 15 106.7 0.2 . 1 . . . . . 212 GLY N . 50777 1 851 . 1 . 1 190 190 SER H H 1 8.24 0.02 . 1 . . . . . 213 SER H . 50777 1 852 . 1 . 1 190 190 SER C C 13 173.1 0.2 . 1 . . . . . 213 SER C . 50777 1 853 . 1 . 1 190 190 SER CA C 13 57.9 0.2 . 1 . . . . . 213 SER CA . 50777 1 854 . 1 . 1 190 190 SER CB C 13 63.8 0.2 . 1 . . . . . 213 SER CB . 50777 1 855 . 1 . 1 190 190 SER N N 15 117.5 0.2 . 1 . . . . . 213 SER N . 50777 1 856 . 1 . 1 191 191 LYS H H 1 8.65 0.02 . 1 . . . . . 214 LYS H . 50777 1 857 . 1 . 1 191 191 LYS C C 13 174.2 0.2 . 1 . . . . . 214 LYS C . 50777 1 858 . 1 . 1 191 191 LYS CA C 13 59.6 0.2 . 1 . . . . . 214 LYS CA . 50777 1 859 . 1 . 1 191 191 LYS CB C 13 35.7 0.2 . 1 . . . . . 214 LYS CB . 50777 1 860 . 1 . 1 191 191 LYS N N 15 123.7 0.2 . 1 . . . . . 214 LYS N . 50777 1 861 . 1 . 1 192 192 ILE H H 1 8.81 0.02 . 1 . . . . . 215 ILE H . 50777 1 862 . 1 . 1 192 192 ILE N N 15 121.6 0.2 . 1 . . . . . 215 ILE N . 50777 1 863 . 1 . 1 193 193 TYR H H 1 8.47 0.02 . 1 . . . . . 216 TYR H . 50777 1 864 . 1 . 1 193 193 TYR CA C 13 54.9 0.2 . 1 . . . . . 216 TYR CA . 50777 1 865 . 1 . 1 193 193 TYR N N 15 130.3 0.2 . 1 . . . . . 216 TYR N . 50777 1 866 . 1 . 1 194 194 ALA H H 1 8.91 0.02 . 1 . . . . . 217 ALA H . 50777 1 867 . 1 . 1 194 194 ALA C C 13 173.9 0.2 . 1 . . . . . 217 ALA C . 50777 1 868 . 1 . 1 194 194 ALA CA C 13 51.3 0.2 . 1 . . . . . 217 ALA CA . 50777 1 869 . 1 . 1 194 194 ALA CB C 13 22.1 0.2 . 1 . . . . . 217 ALA CB . 50777 1 870 . 1 . 1 194 194 ALA N N 15 120.2 0.2 . 1 . . . . . 217 ALA N . 50777 1 871 . 1 . 1 195 195 LYS H H 1 8.92 0.02 . 1 . . . . . 218 LYS H . 50777 1 872 . 1 . 1 195 195 LYS C C 13 175.6 0.2 . 1 . . . . . 218 LYS C . 50777 1 873 . 1 . 1 195 195 LYS CA C 13 52.2 0.2 . 1 . . . . . 218 LYS CA . 50777 1 874 . 1 . 1 195 195 LYS CB C 13 34.1 0.2 . 1 . . . . . 218 LYS CB . 50777 1 875 . 1 . 1 195 195 LYS N N 15 116.2 0.2 . 1 . . . . . 218 LYS N . 50777 1 876 . 1 . 1 196 196 SER H H 1 8.85 0.02 . 1 . . . . . 219 SER H . 50777 1 877 . 1 . 1 196 196 SER CB C 13 63.2 0.2 . 1 . . . . . 219 SER CB . 50777 1 878 . 1 . 1 196 196 SER N N 15 116.5 0.2 . 1 . . . . . 219 SER N . 50777 1 879 . 1 . 1 197 197 GLY H H 1 8.66 0.02 . 1 . . . . . 220 GLY H . 50777 1 880 . 1 . 1 197 197 GLY C C 13 172.8 0.2 . 1 . . . . . 220 GLY C . 50777 1 881 . 1 . 1 197 197 GLY CA C 13 46.4 0.2 . 1 . . . . . 220 GLY CA . 50777 1 882 . 1 . 1 197 197 GLY N N 15 104.6 0.2 . 1 . . . . . 220 GLY N . 50777 1 883 . 1 . 1 198 198 TRP HE1 H 1 11.12 0.02 . 1 . . . . . 221 TRP HE1 . 50777 1 884 . 1 . 1 198 198 TRP NE1 N 15 131.2 0.2 . 1 . . . . . 221 TRP NE1 . 50777 1 885 . 1 . 1 199 199 GLY H H 1 10.39 0.02 . 1 . . . . . 222 GLY H . 50777 1 886 . 1 . 1 199 199 GLY C C 13 172.1 0.2 . 1 . . . . . 222 GLY C . 50777 1 887 . 1 . 1 199 199 GLY CA C 13 47.1 0.2 . 1 . . . . . 222 GLY CA . 50777 1 888 . 1 . 1 199 199 GLY N N 15 115.3 0.2 . 1 . . . . . 222 GLY N . 50777 1 889 . 1 . 1 200 200 MET H H 1 8.28 0.02 . 1 . . . . . 223 MET H . 50777 1 890 . 1 . 1 200 200 MET C C 13 176.9 0.2 . 1 . . . . . 223 MET C . 50777 1 891 . 1 . 1 200 200 MET CA C 13 56.4 0.2 . 1 . . . . . 223 MET CA . 50777 1 892 . 1 . 1 200 200 MET CB C 13 32.3 0.2 . 1 . . . . . 223 MET CB . 50777 1 893 . 1 . 1 200 200 MET N N 15 124.5 0.2 . 1 . . . . . 223 MET N . 50777 1 894 . 1 . 1 201 201 GLY H H 1 9.24 0.02 . 1 . . . . . 224 GLY H . 50777 1 895 . 1 . 1 201 201 GLY C C 13 173.0 0.2 . 1 . . . . . 224 GLY C . 50777 1 896 . 1 . 1 201 201 GLY CA C 13 44.8 0.2 . 1 . . . . . 224 GLY CA . 50777 1 897 . 1 . 1 201 201 GLY N N 15 109.2 0.2 . 1 . . . . . 224 GLY N . 50777 1 898 . 1 . 1 202 202 VAL H H 1 6.91 0.02 . 1 . . . . . 225 VAL H . 50777 1 899 . 1 . 1 202 202 VAL C C 13 173.8 0.2 . 1 . . . . . 225 VAL C . 50777 1 900 . 1 . 1 202 202 VAL CA C 13 58.5 0.2 . 1 . . . . . 225 VAL CA . 50777 1 901 . 1 . 1 202 202 VAL CB C 13 34.0 0.2 . 1 . . . . . 225 VAL CB . 50777 1 902 . 1 . 1 202 202 VAL N N 15 112.0 0.2 . 1 . . . . . 225 VAL N . 50777 1 903 . 1 . 1 203 203 THR H H 1 8.20 0.02 . 1 . . . . . 226 THR H . 50777 1 904 . 1 . 1 203 203 THR C C 13 173.7 0.2 . 1 . . . . . 226 THR C . 50777 1 905 . 1 . 1 203 203 THR CA C 13 58.3 0.2 . 1 . . . . . 226 THR CA . 50777 1 906 . 1 . 1 203 203 THR CB C 13 71.2 0.2 . 1 . . . . . 226 THR CB . 50777 1 907 . 1 . 1 203 203 THR N N 15 115.2 0.2 . 1 . . . . . 226 THR N . 50777 1 908 . 1 . 1 205 205 GLN H H 1 8.85 0.02 . 1 . . . . . 228 GLN H . 50777 1 909 . 1 . 1 205 205 GLN C C 13 178.1 0.2 . 1 . . . . . 228 GLN C . 50777 1 910 . 1 . 1 205 205 GLN CA C 13 56.4 0.2 . 1 . . . . . 228 GLN CA . 50777 1 911 . 1 . 1 205 205 GLN CB C 13 29.0 0.2 . 1 . . . . . 228 GLN CB . 50777 1 912 . 1 . 1 205 205 GLN N N 15 120.5 0.2 . 1 . . . . . 228 GLN N . 50777 1 913 . 1 . 1 206 206 VAL H H 1 7.65 0.02 . 1 . . . . . 229 VAL H . 50777 1 914 . 1 . 1 206 206 VAL C C 13 171.6 0.2 . 1 . . . . . 229 VAL C . 50777 1 915 . 1 . 1 206 206 VAL CA C 13 58.4 0.2 . 1 . . . . . 229 VAL CA . 50777 1 916 . 1 . 1 206 206 VAL CB C 13 33.7 0.2 . 1 . . . . . 229 VAL CB . 50777 1 917 . 1 . 1 206 206 VAL N N 15 120.3 0.2 . 1 . . . . . 229 VAL N . 50777 1 918 . 1 . 1 207 207 GLY H H 1 9.13 0.02 . 1 . . . . . 230 GLY H . 50777 1 919 . 1 . 1 207 207 GLY C C 13 170.3 0.2 . 1 . . . . . 230 GLY C . 50777 1 920 . 1 . 1 207 207 GLY CA C 13 42.8 0.2 . 1 . . . . . 230 GLY CA . 50777 1 921 . 1 . 1 207 207 GLY N N 15 116.4 0.2 . 1 . . . . . 230 GLY N . 50777 1 922 . 1 . 1 208 208 TRP H H 1 8.89 0.02 . 1 . . . . . 231 TRP H . 50777 1 923 . 1 . 1 208 208 TRP C C 13 178.6 0.2 . 1 . . . . . 231 TRP C . 50777 1 924 . 1 . 1 208 208 TRP CA C 13 55.0 0.2 . 1 . . . . . 231 TRP CA . 50777 1 925 . 1 . 1 208 208 TRP CB C 13 37.4 0.2 . 1 . . . . . 231 TRP CB . 50777 1 926 . 1 . 1 208 208 TRP N N 15 118.6 0.2 . 1 . . . . . 231 TRP N . 50777 1 927 . 1 . 1 210 210 THR H H 1 8.01 0.02 . 1 . . . . . 233 THR H . 50777 1 928 . 1 . 1 210 210 THR CA C 13 60.3 0.2 . 1 . . . . . 233 THR CA . 50777 1 929 . 1 . 1 210 210 THR CB C 13 72.5 0.2 . 1 . . . . . 233 THR CB . 50777 1 930 . 1 . 1 210 210 THR N N 15 126.0 0.2 . 1 . . . . . 233 THR N . 50777 1 931 . 1 . 1 211 211 GLY H H 1 8.12 0.02 . 1 . . . . . 234 GLY H . 50777 1 932 . 1 . 1 211 211 GLY CA C 13 45.9 0.2 . 1 . . . . . 234 GLY CA . 50777 1 933 . 1 . 1 211 211 GLY N N 15 114.6 0.2 . 1 . . . . . 234 GLY N . 50777 1 934 . 1 . 1 212 212 TRP H H 1 9.54 0.02 . 1 . . . . . 235 TRP H . 50777 1 935 . 1 . 1 212 212 TRP CA C 13 57.8 0.2 . 1 . . . . . 235 TRP CA . 50777 1 936 . 1 . 1 212 212 TRP N N 15 121.5 0.2 . 1 . . . . . 235 TRP N . 50777 1 937 . 1 . 1 214 214 GLU H H 1 9.84 0.02 . 1 . . . . . 237 GLU H . 50777 1 938 . 1 . 1 214 214 GLU C C 13 176.6 0.2 . 1 . . . . . 237 GLU C . 50777 1 939 . 1 . 1 214 214 GLU CA C 13 54.6 0.2 . 1 . . . . . 237 GLU CA . 50777 1 940 . 1 . 1 214 214 GLU CB C 13 30.2 0.2 . 1 . . . . . 237 GLU CB . 50777 1 941 . 1 . 1 214 214 GLU N N 15 128.6 0.2 . 1 . . . . . 237 GLU N . 50777 1 942 . 1 . 1 215 215 GLN H H 1 9.21 0.02 . 1 . . . . . 238 GLN H . 50777 1 943 . 1 . 1 215 215 GLN C C 13 178.0 0.2 . 1 . . . . . 238 GLN C . 50777 1 944 . 1 . 1 215 215 GLN CA C 13 55.4 0.2 . 1 . . . . . 238 GLN CA . 50777 1 945 . 1 . 1 215 215 GLN CB C 13 29.4 0.2 . 1 . . . . . 238 GLN CB . 50777 1 946 . 1 . 1 215 215 GLN N N 15 126.7 0.2 . 1 . . . . . 238 GLN N . 50777 1 947 . 1 . 1 216 216 ALA H H 1 8.98 0.02 . 1 . . . . . 239 ALA H . 50777 1 948 . 1 . 1 216 216 ALA C C 13 178.3 0.2 . 1 . . . . . 239 ALA C . 50777 1 949 . 1 . 1 216 216 ALA CA C 13 54.7 0.2 . 1 . . . . . 239 ALA CA . 50777 1 950 . 1 . 1 216 216 ALA CB C 13 17.4 0.2 . 1 . . . . . 239 ALA CB . 50777 1 951 . 1 . 1 216 216 ALA N N 15 126.0 0.2 . 1 . . . . . 239 ALA N . 50777 1 952 . 1 . 1 217 217 ASN H H 1 7.63 0.02 . 1 . . . . . 240 ASN H . 50777 1 953 . 1 . 1 217 217 ASN C C 13 176.6 0.2 . 1 . . . . . 240 ASN C . 50777 1 954 . 1 . 1 217 217 ASN CA C 13 52.5 0.2 . 1 . . . . . 240 ASN CA . 50777 1 955 . 1 . 1 217 217 ASN CB C 13 37.1 0.2 . 1 . . . . . 240 ASN CB . 50777 1 956 . 1 . 1 217 217 ASN N N 15 112.4 0.2 . 1 . . . . . 240 ASN N . 50777 1 957 . 1 . 1 218 218 GLY H H 1 8.17 0.02 . 1 . . . . . 241 GLY H . 50777 1 958 . 1 . 1 218 218 GLY C C 13 174.6 0.2 . 1 . . . . . 241 GLY C . 50777 1 959 . 1 . 1 218 218 GLY CA C 13 44.5 0.2 . 1 . . . . . 241 GLY CA . 50777 1 960 . 1 . 1 218 218 GLY N N 15 109.2 0.2 . 1 . . . . . 241 GLY N . 50777 1 961 . 1 . 1 219 219 LYS H H 1 7.91 0.02 . 1 . . . . . 242 LYS H . 50777 1 962 . 1 . 1 219 219 LYS C C 13 175.5 0.2 . 1 . . . . . 242 LYS C . 50777 1 963 . 1 . 1 219 219 LYS CA C 13 57.1 0.2 . 1 . . . . . 242 LYS CA . 50777 1 964 . 1 . 1 219 219 LYS CB C 13 31.9 0.2 . 1 . . . . . 242 LYS CB . 50777 1 965 . 1 . 1 219 219 LYS N N 15 123.5 0.2 . 1 . . . . . 242 LYS N . 50777 1 966 . 1 . 1 220 220 LYS H H 1 8.84 0.02 . 1 . . . . . 243 LYS H . 50777 1 967 . 1 . 1 220 220 LYS C C 13 176.0 0.2 . 1 . . . . . 243 LYS C . 50777 1 968 . 1 . 1 220 220 LYS CA C 13 54.4 0.2 . 1 . . . . . 243 LYS CA . 50777 1 969 . 1 . 1 220 220 LYS CB C 13 32.6 0.2 . 1 . . . . . 243 LYS CB . 50777 1 970 . 1 . 1 220 220 LYS N N 15 123.5 0.2 . 1 . . . . . 243 LYS N . 50777 1 971 . 1 . 1 221 221 ILE H H 1 9.46 0.02 . 1 . . . . . 244 ILE H . 50777 1 972 . 1 . 1 221 221 ILE N N 15 124.6 0.2 . 1 . . . . . 244 ILE N . 50777 1 973 . 1 . 1 223 223 PHE H H 1 8.96 0.02 . 1 . . . . . 246 PHE H . 50777 1 974 . 1 . 1 223 223 PHE CA C 13 56.1 0.2 . 1 . . . . . 246 PHE CA . 50777 1 975 . 1 . 1 223 223 PHE CB C 13 43.7 0.2 . 1 . . . . . 246 PHE CB . 50777 1 976 . 1 . 1 223 223 PHE N N 15 115.7 0.2 . 1 . . . . . 246 PHE N . 50777 1 977 . 1 . 1 224 224 SER H H 1 8.91 0.02 . 1 . . . . . 247 SER H . 50777 1 978 . 1 . 1 224 224 SER C C 13 173.7 0.2 . 1 . . . . . 247 SER C . 50777 1 979 . 1 . 1 224 224 SER CA C 13 59.4 0.2 . 1 . . . . . 247 SER CA . 50777 1 980 . 1 . 1 224 224 SER CB C 13 65.8 0.2 . 1 . . . . . 247 SER CB . 50777 1 981 . 1 . 1 224 224 SER N N 15 112.3 0.2 . 1 . . . . . 247 SER N . 50777 1 982 . 1 . 1 225 225 LEU H H 1 9.51 0.02 . 1 . . . . . 248 LEU H . 50777 1 983 . 1 . 1 225 225 LEU C C 13 174.8 0.2 . 1 . . . . . 248 LEU C . 50777 1 984 . 1 . 1 225 225 LEU CA C 13 54.2 0.2 . 1 . . . . . 248 LEU CA . 50777 1 985 . 1 . 1 225 225 LEU CB C 13 41.9 0.2 . 1 . . . . . 248 LEU CB . 50777 1 986 . 1 . 1 225 225 LEU N N 15 132.7 0.2 . 1 . . . . . 248 LEU N . 50777 1 987 . 1 . 1 226 226 ASN H H 1 9.08 0.02 . 1 . . . . . 249 ASN H . 50777 1 988 . 1 . 1 226 226 ASN C C 13 171.9 0.2 . 1 . . . . . 249 ASN C . 50777 1 989 . 1 . 1 226 226 ASN CA C 13 51.8 0.2 . 1 . . . . . 249 ASN CA . 50777 1 990 . 1 . 1 226 226 ASN CB C 13 42.2 0.2 . 1 . . . . . 249 ASN CB . 50777 1 991 . 1 . 1 226 226 ASN N N 15 125.8 0.2 . 1 . . . . . 249 ASN N . 50777 1 992 . 1 . 1 227 227 LEU H H 1 8.60 0.02 . 1 . . . . . 250 LEU H . 50777 1 993 . 1 . 1 227 227 LEU CB C 13 44.2 0.2 . 1 . . . . . 250 LEU CB . 50777 1 994 . 1 . 1 227 227 LEU N N 15 124.8 0.2 . 1 . . . . . 250 LEU N . 50777 1 995 . 1 . 1 228 228 GLU H H 1 8.00 0.02 . 1 . . . . . 251 GLU H . 50777 1 996 . 1 . 1 228 228 GLU C C 13 176.4 0.2 . 1 . . . . . 251 GLU C . 50777 1 997 . 1 . 1 228 228 GLU CA C 13 55.6 0.2 . 1 . . . . . 251 GLU CA . 50777 1 998 . 1 . 1 228 228 GLU CB C 13 29.7 0.2 . 1 . . . . . 251 GLU CB . 50777 1 999 . 1 . 1 228 228 GLU N N 15 121.2 0.2 . 1 . . . . . 251 GLU N . 50777 1 1000 . 1 . 1 229 229 MET H H 1 6.75 0.02 . 1 . . . . . 252 MET H . 50777 1 1001 . 1 . 1 229 229 MET C C 13 174.6 0.2 . 1 . . . . . 252 MET C . 50777 1 1002 . 1 . 1 229 229 MET CA C 13 51.7 0.2 . 1 . . . . . 252 MET CA . 50777 1 1003 . 1 . 1 229 229 MET CB C 13 30.3 0.2 . 1 . . . . . 252 MET CB . 50777 1 1004 . 1 . 1 229 229 MET N N 15 125.9 0.2 . 1 . . . . . 252 MET N . 50777 1 1005 . 1 . 1 230 230 LYS H H 1 7.61 0.02 . 1 . . . . . 253 LYS H . 50777 1 1006 . 1 . 1 230 230 LYS C C 13 176.0 0.2 . 1 . . . . . 253 LYS C . 50777 1 1007 . 1 . 1 230 230 LYS CA C 13 54.0 0.2 . 1 . . . . . 253 LYS CA . 50777 1 1008 . 1 . 1 230 230 LYS CB C 13 34.6 0.2 . 1 . . . . . 253 LYS CB . 50777 1 1009 . 1 . 1 230 230 LYS N N 15 121.8 0.2 . 1 . . . . . 253 LYS N . 50777 1 1010 . 1 . 1 231 231 GLU H H 1 8.77 0.02 . 1 . . . . . 254 GLU H . 50777 1 1011 . 1 . 1 231 231 GLU C C 13 177.7 0.2 . 1 . . . . . 254 GLU C . 50777 1 1012 . 1 . 1 231 231 GLU CA C 13 57.9 0.2 . 1 . . . . . 254 GLU CA . 50777 1 1013 . 1 . 1 231 231 GLU CB C 13 28.7 0.2 . 1 . . . . . 254 GLU CB . 50777 1 1014 . 1 . 1 231 231 GLU N N 15 122.4 0.2 . 1 . . . . . 254 GLU N . 50777 1 1015 . 1 . 1 232 232 GLY H H 1 9.00 0.02 . 1 . . . . . 255 GLY H . 50777 1 1016 . 1 . 1 232 232 GLY C C 13 175.0 0.2 . 1 . . . . . 255 GLY C . 50777 1 1017 . 1 . 1 232 232 GLY CA C 13 44.6 0.2 . 1 . . . . . 255 GLY CA . 50777 1 1018 . 1 . 1 232 232 GLY N N 15 114.9 0.2 . 1 . . . . . 255 GLY N . 50777 1 1019 . 1 . 1 233 233 MET H H 1 7.81 0.02 . 1 . . . . . 256 MET H . 50777 1 1020 . 1 . 1 233 233 MET C C 13 175.8 0.2 . 1 . . . . . 256 MET C . 50777 1 1021 . 1 . 1 233 233 MET CA C 13 56.2 0.2 . 1 . . . . . 256 MET CA . 50777 1 1022 . 1 . 1 233 233 MET CB C 13 33.9 0.2 . 1 . . . . . 256 MET CB . 50777 1 1023 . 1 . 1 233 233 MET N N 15 120.2 0.2 . 1 . . . . . 256 MET N . 50777 1 1024 . 1 . 1 234 234 SER H H 1 8.58 0.02 . 1 . . . . . 257 SER H . 50777 1 1025 . 1 . 1 234 234 SER C C 13 176.4 0.2 . 1 . . . . . 257 SER C . 50777 1 1026 . 1 . 1 234 234 SER CA C 13 56.3 0.2 . 1 . . . . . 257 SER CA . 50777 1 1027 . 1 . 1 234 234 SER CB C 13 63.7 0.2 . 1 . . . . . 257 SER CB . 50777 1 1028 . 1 . 1 234 234 SER N N 15 116.7 0.2 . 1 . . . . . 257 SER N . 50777 1 1029 . 1 . 1 235 235 GLY H H 1 9.40 0.02 . 1 . . . . . 258 GLY H . 50777 1 1030 . 1 . 1 235 235 GLY C C 13 177.2 0.2 . 1 . . . . . 258 GLY C . 50777 1 1031 . 1 . 1 235 235 GLY CA C 13 46.9 0.2 . 1 . . . . . 258 GLY CA . 50777 1 1032 . 1 . 1 235 235 GLY N N 15 113.6 0.2 . 1 . . . . . 258 GLY N . 50777 1 1033 . 1 . 1 237 237 ILE H H 1 7.53 0.02 . 1 . . . . . 260 ILE H . 50777 1 1034 . 1 . 1 237 237 ILE C C 13 176.4 0.2 . 1 . . . . . 260 ILE C . 50777 1 1035 . 1 . 1 237 237 ILE CA C 13 61.9 0.2 . 1 . . . . . 260 ILE CA . 50777 1 1036 . 1 . 1 237 237 ILE CB C 13 37.0 0.2 . 1 . . . . . 260 ILE CB . 50777 1 1037 . 1 . 1 237 237 ILE N N 15 123.5 0.2 . 1 . . . . . 260 ILE N . 50777 1 1038 . 1 . 1 238 238 ARG H H 1 7.08 0.02 . 1 . . . . . 261 ARG H . 50777 1 1039 . 1 . 1 238 238 ARG C C 13 176.9 0.2 . 1 . . . . . 261 ARG C . 50777 1 1040 . 1 . 1 238 238 ARG CA C 13 57.5 0.2 . 1 . . . . . 261 ARG CA . 50777 1 1041 . 1 . 1 238 238 ARG CB C 13 28.8 0.2 . 1 . . . . . 261 ARG CB . 50777 1 1042 . 1 . 1 238 238 ARG N N 15 118.3 0.2 . 1 . . . . . 261 ARG N . 50777 1 1043 . 1 . 1 239 239 ASN H H 1 7.37 0.02 . 1 . . . . . 262 ASN H . 50777 1 1044 . 1 . 1 239 239 ASN C C 13 174.2 0.2 . 1 . . . . . 262 ASN C . 50777 1 1045 . 1 . 1 239 239 ASN CA C 13 55.6 0.2 . 1 . . . . . 262 ASN CA . 50777 1 1046 . 1 . 1 239 239 ASN CB C 13 36.8 0.2 . 1 . . . . . 262 ASN CB . 50777 1 1047 . 1 . 1 239 239 ASN N N 15 118.6 0.2 . 1 . . . . . 262 ASN N . 50777 1 1048 . 1 . 1 240 240 GLU H H 1 8.17 0.02 . 1 . . . . . 263 GLU H . 50777 1 1049 . 1 . 1 240 240 GLU C C 13 179.2 0.2 . 1 . . . . . 263 GLU C . 50777 1 1050 . 1 . 1 240 240 GLU CA C 13 59.0 0.2 . 1 . . . . . 263 GLU CA . 50777 1 1051 . 1 . 1 240 240 GLU CB C 13 28.9 0.2 . 1 . . . . . 263 GLU CB . 50777 1 1052 . 1 . 1 240 240 GLU N N 15 117.5 0.2 . 1 . . . . . 263 GLU N . 50777 1 1053 . 1 . 1 241 241 ILE H H 1 7.92 0.02 . 1 . . . . . 264 ILE H . 50777 1 1054 . 1 . 1 241 241 ILE C C 13 179.1 0.2 . 1 . . . . . 264 ILE C . 50777 1 1055 . 1 . 1 241 241 ILE CA C 13 65.3 0.2 . 1 . . . . . 264 ILE CA . 50777 1 1056 . 1 . 1 241 241 ILE CB C 13 36.8 0.2 . 1 . . . . . 264 ILE CB . 50777 1 1057 . 1 . 1 241 241 ILE N N 15 116.7 0.2 . 1 . . . . . 264 ILE N . 50777 1 1058 . 1 . 1 242 242 THR H H 1 6.93 0.02 . 1 . . . . . 265 THR H . 50777 1 1059 . 1 . 1 242 242 THR C C 13 175.5 0.2 . 1 . . . . . 265 THR C . 50777 1 1060 . 1 . 1 242 242 THR CA C 13 67.9 0.2 . 1 . . . . . 265 THR CA . 50777 1 1061 . 1 . 1 242 242 THR CB C 13 66.6 0.2 . 1 . . . . . 265 THR CB . 50777 1 1062 . 1 . 1 242 242 THR N N 15 119.5 0.2 . 1 . . . . . 265 THR N . 50777 1 1063 . 1 . 1 243 243 TYR H H 1 8.50 0.02 . 1 . . . . . 266 TYR H . 50777 1 1064 . 1 . 1 243 243 TYR C C 13 178.7 0.2 . 1 . . . . . 266 TYR C . 50777 1 1065 . 1 . 1 243 243 TYR CA C 13 58.0 0.2 . 1 . . . . . 266 TYR CA . 50777 1 1066 . 1 . 1 243 243 TYR CB C 13 34.5 0.2 . 1 . . . . . 266 TYR CB . 50777 1 1067 . 1 . 1 243 243 TYR N N 15 120.4 0.2 . 1 . . . . . 266 TYR N . 50777 1 1068 . 1 . 1 244 244 LYS H H 1 7.78 0.02 . 1 . . . . . 267 LYS H . 50777 1 1069 . 1 . 1 244 244 LYS C C 13 180.0 0.2 . 1 . . . . . 267 LYS C . 50777 1 1070 . 1 . 1 244 244 LYS CA C 13 59.4 0.2 . 1 . . . . . 267 LYS CA . 50777 1 1071 . 1 . 1 244 244 LYS CB C 13 30.9 0.2 . 1 . . . . . 267 LYS CB . 50777 1 1072 . 1 . 1 244 244 LYS N N 15 118.2 0.2 . 1 . . . . . 267 LYS N . 50777 1 1073 . 1 . 1 245 245 SER H H 1 7.81 0.02 . 1 . . . . . 268 SER H . 50777 1 1074 . 1 . 1 245 245 SER C C 13 174.7 0.2 . 1 . . . . . 268 SER C . 50777 1 1075 . 1 . 1 245 245 SER CA C 13 63.4 0.2 . 1 . . . . . 268 SER CA . 50777 1 1076 . 1 . 1 245 245 SER CB C 13 61.9 0.2 . 1 . . . . . 268 SER CB . 50777 1 1077 . 1 . 1 245 245 SER N N 15 117.2 0.2 . 1 . . . . . 268 SER N . 50777 1 1078 . 1 . 1 247 247 GLU H H 1 8.25 0.02 . 1 . . . . . 270 GLU H . 50777 1 1079 . 1 . 1 247 247 GLU C C 13 180.7 0.2 . 1 . . . . . 270 GLU C . 50777 1 1080 . 1 . 1 247 247 GLU CA C 13 58.3 0.2 . 1 . . . . . 270 GLU CA . 50777 1 1081 . 1 . 1 247 247 GLU CB C 13 26.1 0.2 . 1 . . . . . 270 GLU CB . 50777 1 1082 . 1 . 1 247 247 GLU N N 15 120.3 0.2 . 1 . . . . . 270 GLU N . 50777 1 1083 . 1 . 1 248 248 ASN H H 1 8.25 0.02 . 1 . . . . . 271 ASN H . 50777 1 1084 . 1 . 1 248 248 ASN C C 13 177.4 0.2 . 1 . . . . . 271 ASN C . 50777 1 1085 . 1 . 1 248 248 ASN CA C 13 58.0 0.2 . 1 . . . . . 271 ASN CA . 50777 1 1086 . 1 . 1 248 248 ASN CB C 13 39.9 0.2 . 1 . . . . . 271 ASN CB . 50777 1 1087 . 1 . 1 248 248 ASN N N 15 122.4 0.2 . 1 . . . . . 271 ASN N . 50777 1 1088 . 1 . 1 249 249 LEU H H 1 7.46 0.02 . 1 . . . . . 272 LEU H . 50777 1 1089 . 1 . 1 249 249 LEU C C 13 177.3 0.2 . 1 . . . . . 272 LEU C . 50777 1 1090 . 1 . 1 249 249 LEU CA C 13 54.4 0.2 . 1 . . . . . 272 LEU CA . 50777 1 1091 . 1 . 1 249 249 LEU CB C 13 42.4 0.2 . 1 . . . . . 272 LEU CB . 50777 1 1092 . 1 . 1 249 249 LEU N N 15 114.6 0.2 . 1 . . . . . 272 LEU N . 50777 1 1093 . 1 . 1 250 250 GLY H H 1 7.89 0.02 . 1 . . . . . 273 GLY H . 50777 1 1094 . 1 . 1 250 250 GLY C C 13 174.6 0.2 . 1 . . . . . 273 GLY C . 50777 1 1095 . 1 . 1 250 250 GLY CA C 13 45.1 0.2 . 1 . . . . . 273 GLY CA . 50777 1 1096 . 1 . 1 250 250 GLY N N 15 109.4 0.2 . 1 . . . . . 273 GLY N . 50777 1 1097 . 1 . 1 251 251 ILE H H 1 8.06 0.02 . 1 . . . . . 274 ILE H . 50777 1 1098 . 1 . 1 251 251 ILE C C 13 175.8 0.2 . 1 . . . . . 274 ILE C . 50777 1 1099 . 1 . 1 251 251 ILE CA C 13 62.3 0.2 . 1 . . . . . 274 ILE CA . 50777 1 1100 . 1 . 1 251 251 ILE CB C 13 37.9 0.2 . 1 . . . . . 274 ILE CB . 50777 1 1101 . 1 . 1 251 251 ILE N N 15 121.3 0.2 . 1 . . . . . 274 ILE N . 50777 1 1102 . 1 . 1 252 252 ILE H H 1 6.63 0.02 . 1 . . . . . 275 ILE H . 50777 1 1103 . 1 . 1 252 252 ILE C C 13 179.4 0.2 . 1 . . . . . 275 ILE C . 50777 1 1104 . 1 . 1 252 252 ILE CA C 13 60.8 0.2 . 1 . . . . . 275 ILE CA . 50777 1 1105 . 1 . 1 252 252 ILE CB C 13 38.9 0.2 . 1 . . . . . 275 ILE CB . 50777 1 1106 . 1 . 1 252 252 ILE N N 15 115.7 0.2 . 1 . . . . . 275 ILE N . 50777 1 stop_ save_