data_51794 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51794 _Entry.Title ; Backbone resonance assignment of the LEDGF/p52 splice variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-23 _Entry.Accession_date 2023-01-23 _Entry.Last_release_date 2023-01-23 _Entry.Original_release_date 2023-01-23 _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 E. Koutna . . . . 51794 2 V. Veverka . . . . 51794 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51794 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 883 51794 '15N chemical shifts' 276 51794 '1H chemical shifts' 276 51794 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-12-19 . original BMRB . 51794 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51794 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37615563 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Multivalency of nucleosome recognition by LEDGF ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 51 _Citation.Journal_issue 18 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 10011 _Citation.Page_last 10025 _Citation.Year 2023 _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 Eliska Koutna E. . . . 51794 1 2 Vanda Lux V. . . . 51794 1 3 Tomas Kouba T. . . . 51794 1 4 Jana Skerlova J. . . . 51794 1 5 Jiri Novacek J. . . . 51794 1 6 Pavel Srb P. . . . 51794 1 7 Rozalie Hexnerova R. . . . 51794 1 8 Hana Svachova H. . . . 51794 1 9 Zdenek Kukacka Z. . . . 51794 1 10 Petr Novak P. . . . 51794 1 11 Milan Fabry M. . . . 51794 1 12 Simon Poepsel S. . . . 51794 1 13 Vaclav Veverka V. . . . 51794 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51794 _Assembly.ID 1 _Assembly.Name 'PC4 and SFRS1-interacting protein' _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 . _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 'PC4 and SFRS1-interacting protein' 1 $entity_1 . . yes native no no . . . 51794 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51794 _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 ; MTRDFKPGDLIFAKMKGYPH WPARVDEVPDGAVKPPTNKL PIFFFGTHETAFLGPKDIFP YSENKEKYGKPNKRKGFNEG LWEIDNNPKVKFSSQQAATK QSNASSDVEVEEKETSVSKE DTDHEEKASNEDVTKAVDIT TPKAARRGRKRKAEKQVETE EAGVVTTATASVNLKVSPKR GRPAATEVKIPKPRGRPKMV KQPCPSESDIITEEDKSKKK GQEEKQPKKQPKKDEEGQKE EDKPRKEPDKKEGKKEVESK RKNLAKTGVTSTSDSEEEGD DQEGEKKRKGGRNFQTAHRR NMLKGQHEKEAADRKRKQEE QMETEHQTTCNLQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 333 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51794 1 2 . THR . 51794 1 3 . ARG . 51794 1 4 . ASP . 51794 1 5 . PHE . 51794 1 6 . LYS . 51794 1 7 . PRO . 51794 1 8 . GLY . 51794 1 9 . ASP . 51794 1 10 . LEU . 51794 1 11 . ILE . 51794 1 12 . PHE . 51794 1 13 . ALA . 51794 1 14 . LYS . 51794 1 15 . MET . 51794 1 16 . LYS . 51794 1 17 . GLY . 51794 1 18 . TYR . 51794 1 19 . PRO . 51794 1 20 . HIS . 51794 1 21 . TRP . 51794 1 22 . PRO . 51794 1 23 . ALA . 51794 1 24 . ARG . 51794 1 25 . VAL . 51794 1 26 . ASP . 51794 1 27 . GLU . 51794 1 28 . VAL . 51794 1 29 . PRO . 51794 1 30 . ASP . 51794 1 31 . GLY . 51794 1 32 . ALA . 51794 1 33 . VAL . 51794 1 34 . LYS . 51794 1 35 . PRO . 51794 1 36 . PRO . 51794 1 37 . THR . 51794 1 38 . ASN . 51794 1 39 . LYS . 51794 1 40 . LEU . 51794 1 41 . PRO . 51794 1 42 . ILE . 51794 1 43 . PHE . 51794 1 44 . PHE . 51794 1 45 . PHE . 51794 1 46 . GLY . 51794 1 47 . THR . 51794 1 48 . HIS . 51794 1 49 . GLU . 51794 1 50 . THR . 51794 1 51 . ALA . 51794 1 52 . PHE . 51794 1 53 . LEU . 51794 1 54 . GLY . 51794 1 55 . PRO . 51794 1 56 . LYS . 51794 1 57 . ASP . 51794 1 58 . ILE . 51794 1 59 . PHE . 51794 1 60 . PRO . 51794 1 61 . TYR . 51794 1 62 . SER . 51794 1 63 . GLU . 51794 1 64 . ASN . 51794 1 65 . LYS . 51794 1 66 . GLU . 51794 1 67 . LYS . 51794 1 68 . TYR . 51794 1 69 . GLY . 51794 1 70 . LYS . 51794 1 71 . PRO . 51794 1 72 . ASN . 51794 1 73 . LYS . 51794 1 74 . ARG . 51794 1 75 . LYS . 51794 1 76 . GLY . 51794 1 77 . PHE . 51794 1 78 . ASN . 51794 1 79 . GLU . 51794 1 80 . GLY . 51794 1 81 . LEU . 51794 1 82 . TRP . 51794 1 83 . GLU . 51794 1 84 . ILE . 51794 1 85 . ASP . 51794 1 86 . ASN . 51794 1 87 . ASN . 51794 1 88 . PRO . 51794 1 89 . LYS . 51794 1 90 . VAL . 51794 1 91 . LYS . 51794 1 92 . PHE . 51794 1 93 . SER . 51794 1 94 . SER . 51794 1 95 . GLN . 51794 1 96 . GLN . 51794 1 97 . ALA . 51794 1 98 . ALA . 51794 1 99 . THR . 51794 1 100 . LYS . 51794 1 101 . GLN . 51794 1 102 . SER . 51794 1 103 . ASN . 51794 1 104 . ALA . 51794 1 105 . SER . 51794 1 106 . SER . 51794 1 107 . ASP . 51794 1 108 . VAL . 51794 1 109 . GLU . 51794 1 110 . VAL . 51794 1 111 . GLU . 51794 1 112 . GLU . 51794 1 113 . LYS . 51794 1 114 . GLU . 51794 1 115 . THR . 51794 1 116 . SER . 51794 1 117 . VAL . 51794 1 118 . SER . 51794 1 119 . LYS . 51794 1 120 . GLU . 51794 1 121 . ASP . 51794 1 122 . THR . 51794 1 123 . ASP . 51794 1 124 . HIS . 51794 1 125 . GLU . 51794 1 126 . GLU . 51794 1 127 . LYS . 51794 1 128 . ALA . 51794 1 129 . SER . 51794 1 130 . ASN . 51794 1 131 . GLU . 51794 1 132 . ASP . 51794 1 133 . VAL . 51794 1 134 . THR . 51794 1 135 . LYS . 51794 1 136 . ALA . 51794 1 137 . VAL . 51794 1 138 . ASP . 51794 1 139 . ILE . 51794 1 140 . THR . 51794 1 141 . THR . 51794 1 142 . PRO . 51794 1 143 . LYS . 51794 1 144 . ALA . 51794 1 145 . ALA . 51794 1 146 . ARG . 51794 1 147 . ARG . 51794 1 148 . GLY . 51794 1 149 . ARG . 51794 1 150 . LYS . 51794 1 151 . ARG . 51794 1 152 . LYS . 51794 1 153 . ALA . 51794 1 154 . GLU . 51794 1 155 . LYS . 51794 1 156 . GLN . 51794 1 157 . VAL . 51794 1 158 . GLU . 51794 1 159 . THR . 51794 1 160 . GLU . 51794 1 161 . GLU . 51794 1 162 . ALA . 51794 1 163 . GLY . 51794 1 164 . VAL . 51794 1 165 . VAL . 51794 1 166 . THR . 51794 1 167 . THR . 51794 1 168 . ALA . 51794 1 169 . THR . 51794 1 170 . ALA . 51794 1 171 . SER . 51794 1 172 . VAL . 51794 1 173 . ASN . 51794 1 174 . LEU . 51794 1 175 . LYS . 51794 1 176 . VAL . 51794 1 177 . SER . 51794 1 178 . PRO . 51794 1 179 . LYS . 51794 1 180 . ARG . 51794 1 181 . GLY . 51794 1 182 . ARG . 51794 1 183 . PRO . 51794 1 184 . ALA . 51794 1 185 . ALA . 51794 1 186 . THR . 51794 1 187 . GLU . 51794 1 188 . VAL . 51794 1 189 . LYS . 51794 1 190 . ILE . 51794 1 191 . PRO . 51794 1 192 . LYS . 51794 1 193 . PRO . 51794 1 194 . ARG . 51794 1 195 . GLY . 51794 1 196 . ARG . 51794 1 197 . PRO . 51794 1 198 . LYS . 51794 1 199 . MET . 51794 1 200 . VAL . 51794 1 201 . LYS . 51794 1 202 . GLN . 51794 1 203 . PRO . 51794 1 204 . CYS . 51794 1 205 . PRO . 51794 1 206 . SER . 51794 1 207 . GLU . 51794 1 208 . SER . 51794 1 209 . ASP . 51794 1 210 . ILE . 51794 1 211 . ILE . 51794 1 212 . THR . 51794 1 213 . GLU . 51794 1 214 . GLU . 51794 1 215 . ASP . 51794 1 216 . LYS . 51794 1 217 . SER . 51794 1 218 . LYS . 51794 1 219 . LYS . 51794 1 220 . LYS . 51794 1 221 . GLY . 51794 1 222 . GLN . 51794 1 223 . GLU . 51794 1 224 . GLU . 51794 1 225 . LYS . 51794 1 226 . GLN . 51794 1 227 . PRO . 51794 1 228 . LYS . 51794 1 229 . LYS . 51794 1 230 . GLN . 51794 1 231 . PRO . 51794 1 232 . LYS . 51794 1 233 . LYS . 51794 1 234 . ASP . 51794 1 235 . GLU . 51794 1 236 . GLU . 51794 1 237 . GLY . 51794 1 238 . GLN . 51794 1 239 . LYS . 51794 1 240 . GLU . 51794 1 241 . GLU . 51794 1 242 . ASP . 51794 1 243 . LYS . 51794 1 244 . PRO . 51794 1 245 . ARG . 51794 1 246 . LYS . 51794 1 247 . GLU . 51794 1 248 . PRO . 51794 1 249 . ASP . 51794 1 250 . LYS . 51794 1 251 . LYS . 51794 1 252 . GLU . 51794 1 253 . GLY . 51794 1 254 . LYS . 51794 1 255 . LYS . 51794 1 256 . GLU . 51794 1 257 . VAL . 51794 1 258 . GLU . 51794 1 259 . SER . 51794 1 260 . LYS . 51794 1 261 . ARG . 51794 1 262 . LYS . 51794 1 263 . ASN . 51794 1 264 . LEU . 51794 1 265 . ALA . 51794 1 266 . LYS . 51794 1 267 . THR . 51794 1 268 . GLY . 51794 1 269 . VAL . 51794 1 270 . THR . 51794 1 271 . SER . 51794 1 272 . THR . 51794 1 273 . SER . 51794 1 274 . ASP . 51794 1 275 . SER . 51794 1 276 . GLU . 51794 1 277 . GLU . 51794 1 278 . GLU . 51794 1 279 . GLY . 51794 1 280 . ASP . 51794 1 281 . ASP . 51794 1 282 . GLN . 51794 1 283 . GLU . 51794 1 284 . GLY . 51794 1 285 . GLU . 51794 1 286 . LYS . 51794 1 287 . LYS . 51794 1 288 . ARG . 51794 1 289 . LYS . 51794 1 290 . GLY . 51794 1 291 . GLY . 51794 1 292 . ARG . 51794 1 293 . ASN . 51794 1 294 . PHE . 51794 1 295 . GLN . 51794 1 296 . THR . 51794 1 297 . ALA . 51794 1 298 . HIS . 51794 1 299 . ARG . 51794 1 300 . ARG . 51794 1 301 . ASN . 51794 1 302 . MET . 51794 1 303 . LEU . 51794 1 304 . LYS . 51794 1 305 . GLY . 51794 1 306 . GLN . 51794 1 307 . HIS . 51794 1 308 . GLU . 51794 1 309 . LYS . 51794 1 310 . GLU . 51794 1 311 . ALA . 51794 1 312 . ALA . 51794 1 313 . ASP . 51794 1 314 . ARG . 51794 1 315 . LYS . 51794 1 316 . ARG . 51794 1 317 . LYS . 51794 1 318 . GLN . 51794 1 319 . GLU . 51794 1 320 . GLU . 51794 1 321 . GLN . 51794 1 322 . MET . 51794 1 323 . GLU . 51794 1 324 . THR . 51794 1 325 . GLU . 51794 1 326 . HIS . 51794 1 327 . GLN . 51794 1 328 . THR . 51794 1 329 . THR . 51794 1 330 . CYS . 51794 1 331 . ASN . 51794 1 332 . LEU . 51794 1 333 . GLN . 51794 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51794 1 . THR 2 2 51794 1 . ARG 3 3 51794 1 . ASP 4 4 51794 1 . PHE 5 5 51794 1 . LYS 6 6 51794 1 . PRO 7 7 51794 1 . GLY 8 8 51794 1 . ASP 9 9 51794 1 . LEU 10 10 51794 1 . ILE 11 11 51794 1 . PHE 12 12 51794 1 . ALA 13 13 51794 1 . LYS 14 14 51794 1 . MET 15 15 51794 1 . LYS 16 16 51794 1 . GLY 17 17 51794 1 . TYR 18 18 51794 1 . PRO 19 19 51794 1 . HIS 20 20 51794 1 . TRP 21 21 51794 1 . PRO 22 22 51794 1 . ALA 23 23 51794 1 . ARG 24 24 51794 1 . VAL 25 25 51794 1 . ASP 26 26 51794 1 . GLU 27 27 51794 1 . VAL 28 28 51794 1 . PRO 29 29 51794 1 . ASP 30 30 51794 1 . GLY 31 31 51794 1 . ALA 32 32 51794 1 . VAL 33 33 51794 1 . LYS 34 34 51794 1 . PRO 35 35 51794 1 . PRO 36 36 51794 1 . THR 37 37 51794 1 . ASN 38 38 51794 1 . LYS 39 39 51794 1 . LEU 40 40 51794 1 . PRO 41 41 51794 1 . ILE 42 42 51794 1 . PHE 43 43 51794 1 . PHE 44 44 51794 1 . PHE 45 45 51794 1 . GLY 46 46 51794 1 . THR 47 47 51794 1 . HIS 48 48 51794 1 . GLU 49 49 51794 1 . THR 50 50 51794 1 . ALA 51 51 51794 1 . PHE 52 52 51794 1 . LEU 53 53 51794 1 . GLY 54 54 51794 1 . PRO 55 55 51794 1 . LYS 56 56 51794 1 . ASP 57 57 51794 1 . ILE 58 58 51794 1 . PHE 59 59 51794 1 . PRO 60 60 51794 1 . TYR 61 61 51794 1 . SER 62 62 51794 1 . GLU 63 63 51794 1 . ASN 64 64 51794 1 . LYS 65 65 51794 1 . GLU 66 66 51794 1 . LYS 67 67 51794 1 . TYR 68 68 51794 1 . GLY 69 69 51794 1 . LYS 70 70 51794 1 . PRO 71 71 51794 1 . ASN 72 72 51794 1 . LYS 73 73 51794 1 . ARG 74 74 51794 1 . LYS 75 75 51794 1 . GLY 76 76 51794 1 . PHE 77 77 51794 1 . ASN 78 78 51794 1 . GLU 79 79 51794 1 . GLY 80 80 51794 1 . LEU 81 81 51794 1 . TRP 82 82 51794 1 . GLU 83 83 51794 1 . ILE 84 84 51794 1 . ASP 85 85 51794 1 . ASN 86 86 51794 1 . ASN 87 87 51794 1 . PRO 88 88 51794 1 . LYS 89 89 51794 1 . VAL 90 90 51794 1 . LYS 91 91 51794 1 . PHE 92 92 51794 1 . SER 93 93 51794 1 . SER 94 94 51794 1 . GLN 95 95 51794 1 . GLN 96 96 51794 1 . ALA 97 97 51794 1 . ALA 98 98 51794 1 . THR 99 99 51794 1 . LYS 100 100 51794 1 . GLN 101 101 51794 1 . SER 102 102 51794 1 . ASN 103 103 51794 1 . ALA 104 104 51794 1 . SER 105 105 51794 1 . SER 106 106 51794 1 . ASP 107 107 51794 1 . VAL 108 108 51794 1 . GLU 109 109 51794 1 . VAL 110 110 51794 1 . GLU 111 111 51794 1 . GLU 112 112 51794 1 . LYS 113 113 51794 1 . GLU 114 114 51794 1 . THR 115 115 51794 1 . SER 116 116 51794 1 . VAL 117 117 51794 1 . SER 118 118 51794 1 . LYS 119 119 51794 1 . GLU 120 120 51794 1 . ASP 121 121 51794 1 . THR 122 122 51794 1 . ASP 123 123 51794 1 . HIS 124 124 51794 1 . GLU 125 125 51794 1 . GLU 126 126 51794 1 . LYS 127 127 51794 1 . ALA 128 128 51794 1 . SER 129 129 51794 1 . ASN 130 130 51794 1 . GLU 131 131 51794 1 . ASP 132 132 51794 1 . VAL 133 133 51794 1 . THR 134 134 51794 1 . LYS 135 135 51794 1 . ALA 136 136 51794 1 . VAL 137 137 51794 1 . ASP 138 138 51794 1 . ILE 139 139 51794 1 . THR 140 140 51794 1 . THR 141 141 51794 1 . PRO 142 142 51794 1 . LYS 143 143 51794 1 . ALA 144 144 51794 1 . ALA 145 145 51794 1 . ARG 146 146 51794 1 . ARG 147 147 51794 1 . GLY 148 148 51794 1 . ARG 149 149 51794 1 . LYS 150 150 51794 1 . ARG 151 151 51794 1 . LYS 152 152 51794 1 . ALA 153 153 51794 1 . GLU 154 154 51794 1 . LYS 155 155 51794 1 . GLN 156 156 51794 1 . VAL 157 157 51794 1 . GLU 158 158 51794 1 . THR 159 159 51794 1 . GLU 160 160 51794 1 . GLU 161 161 51794 1 . ALA 162 162 51794 1 . GLY 163 163 51794 1 . VAL 164 164 51794 1 . VAL 165 165 51794 1 . THR 166 166 51794 1 . THR 167 167 51794 1 . ALA 168 168 51794 1 . THR 169 169 51794 1 . ALA 170 170 51794 1 . SER 171 171 51794 1 . VAL 172 172 51794 1 . ASN 173 173 51794 1 . LEU 174 174 51794 1 . LYS 175 175 51794 1 . VAL 176 176 51794 1 . SER 177 177 51794 1 . PRO 178 178 51794 1 . LYS 179 179 51794 1 . ARG 180 180 51794 1 . GLY 181 181 51794 1 . ARG 182 182 51794 1 . PRO 183 183 51794 1 . ALA 184 184 51794 1 . ALA 185 185 51794 1 . THR 186 186 51794 1 . GLU 187 187 51794 1 . VAL 188 188 51794 1 . LYS 189 189 51794 1 . ILE 190 190 51794 1 . PRO 191 191 51794 1 . LYS 192 192 51794 1 . PRO 193 193 51794 1 . ARG 194 194 51794 1 . GLY 195 195 51794 1 . ARG 196 196 51794 1 . PRO 197 197 51794 1 . LYS 198 198 51794 1 . MET 199 199 51794 1 . VAL 200 200 51794 1 . LYS 201 201 51794 1 . GLN 202 202 51794 1 . PRO 203 203 51794 1 . CYS 204 204 51794 1 . PRO 205 205 51794 1 . SER 206 206 51794 1 . GLU 207 207 51794 1 . SER 208 208 51794 1 . ASP 209 209 51794 1 . ILE 210 210 51794 1 . ILE 211 211 51794 1 . THR 212 212 51794 1 . GLU 213 213 51794 1 . GLU 214 214 51794 1 . ASP 215 215 51794 1 . LYS 216 216 51794 1 . SER 217 217 51794 1 . LYS 218 218 51794 1 . LYS 219 219 51794 1 . LYS 220 220 51794 1 . GLY 221 221 51794 1 . GLN 222 222 51794 1 . GLU 223 223 51794 1 . GLU 224 224 51794 1 . LYS 225 225 51794 1 . GLN 226 226 51794 1 . PRO 227 227 51794 1 . LYS 228 228 51794 1 . LYS 229 229 51794 1 . GLN 230 230 51794 1 . PRO 231 231 51794 1 . LYS 232 232 51794 1 . LYS 233 233 51794 1 . ASP 234 234 51794 1 . GLU 235 235 51794 1 . GLU 236 236 51794 1 . GLY 237 237 51794 1 . GLN 238 238 51794 1 . LYS 239 239 51794 1 . GLU 240 240 51794 1 . GLU 241 241 51794 1 . ASP 242 242 51794 1 . LYS 243 243 51794 1 . PRO 244 244 51794 1 . ARG 245 245 51794 1 . LYS 246 246 51794 1 . GLU 247 247 51794 1 . PRO 248 248 51794 1 . ASP 249 249 51794 1 . LYS 250 250 51794 1 . LYS 251 251 51794 1 . GLU 252 252 51794 1 . GLY 253 253 51794 1 . LYS 254 254 51794 1 . LYS 255 255 51794 1 . GLU 256 256 51794 1 . VAL 257 257 51794 1 . GLU 258 258 51794 1 . SER 259 259 51794 1 . LYS 260 260 51794 1 . ARG 261 261 51794 1 . LYS 262 262 51794 1 . ASN 263 263 51794 1 . LEU 264 264 51794 1 . ALA 265 265 51794 1 . LYS 266 266 51794 1 . THR 267 267 51794 1 . GLY 268 268 51794 1 . VAL 269 269 51794 1 . THR 270 270 51794 1 . SER 271 271 51794 1 . THR 272 272 51794 1 . SER 273 273 51794 1 . ASP 274 274 51794 1 . SER 275 275 51794 1 . GLU 276 276 51794 1 . GLU 277 277 51794 1 . GLU 278 278 51794 1 . GLY 279 279 51794 1 . ASP 280 280 51794 1 . ASP 281 281 51794 1 . GLN 282 282 51794 1 . GLU 283 283 51794 1 . GLY 284 284 51794 1 . GLU 285 285 51794 1 . LYS 286 286 51794 1 . LYS 287 287 51794 1 . ARG 288 288 51794 1 . LYS 289 289 51794 1 . GLY 290 290 51794 1 . GLY 291 291 51794 1 . ARG 292 292 51794 1 . ASN 293 293 51794 1 . PHE 294 294 51794 1 . GLN 295 295 51794 1 . THR 296 296 51794 1 . ALA 297 297 51794 1 . HIS 298 298 51794 1 . ARG 299 299 51794 1 . ARG 300 300 51794 1 . ASN 301 301 51794 1 . MET 302 302 51794 1 . LEU 303 303 51794 1 . LYS 304 304 51794 1 . GLY 305 305 51794 1 . GLN 306 306 51794 1 . HIS 307 307 51794 1 . GLU 308 308 51794 1 . LYS 309 309 51794 1 . GLU 310 310 51794 1 . ALA 311 311 51794 1 . ALA 312 312 51794 1 . ASP 313 313 51794 1 . ARG 314 314 51794 1 . LYS 315 315 51794 1 . ARG 316 316 51794 1 . LYS 317 317 51794 1 . GLN 318 318 51794 1 . GLU 319 319 51794 1 . GLU 320 320 51794 1 . GLN 321 321 51794 1 . MET 322 322 51794 1 . GLU 323 323 51794 1 . THR 324 324 51794 1 . GLU 325 325 51794 1 . HIS 326 326 51794 1 . GLN 327 327 51794 1 . THR 328 328 51794 1 . THR 329 329 51794 1 . CYS 330 330 51794 1 . ASN 331 331 51794 1 . LEU 332 332 51794 1 . GLN 333 333 51794 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 51794 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'PSIP1, DFS70, LEDGF, PSIP2' . 51794 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 51794 _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 . . . plasmid . . pET28 . . . 51794 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51794 _Sample.ID 1 _Sample.Name sample1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] LEDGF, 20 mM HEPES, 200 mM sodium chloride, 1 mM TCEP, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LEDGF '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 51794 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 51794 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51794 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51794 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 51794 _Sample_condition_list.ID 1 _Sample_condition_list.Name c1 _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' 120 . mM 51794 1 pH 7 . pH 51794 1 pressure 1 . atm 51794 1 temperature 298 . K 51794 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51794 _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 'data analysis' . 51794 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51794 _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 . 51794 2 processing . 51794 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 51794 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name a800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 51794 _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 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51794 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51794 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51794 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51794 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51794 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 51794 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name r1 _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 carbon' . . . . ppm 0 na direct 1 . . . . . 51794 1 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 51794 1 N 15 DSS nitrogen . . . . ppm 0 na direct 1 . . . . . 51794 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 51794 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name l1 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51794 1 2 '2D 1H-13C HSQC' . . . 51794 1 3 '3D HNCACB' . . . 51794 1 4 '3D CBCA(CO)NH' . . . 51794 1 5 '3D HNCO' . . . 51794 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 . . 51794 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 2 2 THR C C 13 173.768 0.000 . . . . . . . 2 T C . 51794 1 2 . 1 . 1 2 2 THR CA C 13 62.137 0.000 . . . . . . . 2 T CA . 51794 1 3 . 1 . 1 2 2 THR CB C 13 69.985 0.000 . . . . . . . 2 T CB . 51794 1 4 . 1 . 1 3 3 ARG H H 1 8.283 0.004 . . . . . . . 3 R H . 51794 1 5 . 1 . 1 3 3 ARG C C 13 174.629 0.002 . . . . . . . 3 R C . 51794 1 6 . 1 . 1 3 3 ARG CA C 13 55.500 0.026 . . . . . . . 3 R CA . 51794 1 7 . 1 . 1 3 3 ARG CB C 13 30.974 0.031 . . . . . . . 3 R CB . 51794 1 8 . 1 . 1 3 3 ARG N N 15 123.467 0.019 . . . . . . . 3 R N . 51794 1 9 . 1 . 1 4 4 ASP H H 1 8.149 0.001 . . . . . . . 4 D H . 51794 1 10 . 1 . 1 4 4 ASP C C 13 175.397 0.003 . . . . . . . 4 D C . 51794 1 11 . 1 . 1 4 4 ASP CA C 13 53.639 0.010 . . . . . . . 4 D CA . 51794 1 12 . 1 . 1 4 4 ASP CB C 13 41.504 0.026 . . . . . . . 4 D CB . 51794 1 13 . 1 . 1 4 4 ASP N N 15 122.174 0.026 . . . . . . . 4 D N . 51794 1 14 . 1 . 1 5 5 PHE H H 1 8.215 0.002 . . . . . . . 5 F H . 51794 1 15 . 1 . 1 5 5 PHE C C 13 174.973 0.000 . . . . . . . 5 F C . 51794 1 16 . 1 . 1 5 5 PHE CA C 13 58.493 0.023 . . . . . . . 5 F CA . 51794 1 17 . 1 . 1 5 5 PHE CB C 13 41.550 0.013 . . . . . . . 5 F CB . 51794 1 18 . 1 . 1 5 5 PHE N N 15 120.182 0.027 . . . . . . . 5 F N . 51794 1 19 . 1 . 1 6 6 LYS H H 1 9.141 0.001 . . . . . . . 6 K H . 51794 1 20 . 1 . 1 6 6 LYS C C 13 173.006 0.000 . . . . . . . 6 K C . 51794 1 21 . 1 . 1 6 6 LYS CA C 13 53.098 0.000 . . . . . . . 6 K CA . 51794 1 22 . 1 . 1 6 6 LYS CB C 13 33.508 0.000 . . . . . . . 6 K CB . 51794 1 23 . 1 . 1 6 6 LYS N N 15 123.276 0.017 . . . . . . . 6 K N . 51794 1 24 . 1 . 1 7 7 PRO C C 13 177.533 0.000 . . . . . . . 7 P C . 51794 1 25 . 1 . 1 7 7 PRO CA C 13 63.806 0.000 . . . . . . . 7 P CA . 51794 1 26 . 1 . 1 7 7 PRO CB C 13 31.676 0.000 . . . . . . . 7 P CB . 51794 1 27 . 1 . 1 8 8 GLY H H 1 9.730 0.002 . . . . . . . 8 G H . 51794 1 28 . 1 . 1 8 8 GLY C C 13 174.455 0.000 . . . . . . . 8 G C . 51794 1 29 . 1 . 1 8 8 GLY CA C 13 44.653 0.014 . . . . . . . 8 G CA . 51794 1 30 . 1 . 1 8 8 GLY N N 15 115.305 0.029 . . . . . . . 8 G N . 51794 1 31 . 1 . 1 9 9 ASP H H 1 8.291 0.002 . . . . . . . 9 D H . 51794 1 32 . 1 . 1 9 9 ASP C C 13 175.237 0.007 . . . . . . . 9 D C . 51794 1 33 . 1 . 1 9 9 ASP CA C 13 56.766 0.000 . . . . . . . 9 D CA . 51794 1 34 . 1 . 1 9 9 ASP CB C 13 41.098 0.072 . . . . . . . 9 D CB . 51794 1 35 . 1 . 1 9 9 ASP N N 15 122.239 0.020 . . . . . . . 9 D N . 51794 1 36 . 1 . 1 10 10 LEU H H 1 8.586 0.001 . . . . . . . 10 L H . 51794 1 37 . 1 . 1 10 10 LEU C C 13 177.970 0.000 . . . . . . . 10 L C . 51794 1 38 . 1 . 1 10 10 LEU CA C 13 54.248 0.015 . . . . . . . 10 L CA . 51794 1 39 . 1 . 1 10 10 LEU CB C 13 41.172 0.000 . . . . . . . 10 L CB . 51794 1 40 . 1 . 1 10 10 LEU N N 15 121.197 0.008 . . . . . . . 10 L N . 51794 1 41 . 1 . 1 11 11 ILE H H 1 8.824 0.002 . . . . . . . 11 I H . 51794 1 42 . 1 . 1 11 11 ILE C C 13 175.522 0.007 . . . . . . . 11 I C . 51794 1 43 . 1 . 1 11 11 ILE CA C 13 60.541 0.064 . . . . . . . 11 I CA . 51794 1 44 . 1 . 1 11 11 ILE CB C 13 44.107 0.001 . . . . . . . 11 I CB . 51794 1 45 . 1 . 1 11 11 ILE N N 15 118.655 0.026 . . . . . . . 11 I N . 51794 1 46 . 1 . 1 12 12 PHE H H 1 9.371 0.002 . . . . . . . 12 F H . 51794 1 47 . 1 . 1 12 12 PHE C C 13 175.230 0.002 . . . . . . . 12 F C . 51794 1 48 . 1 . 1 12 12 PHE CA C 13 58.580 0.042 . . . . . . . 12 F CA . 51794 1 49 . 1 . 1 12 12 PHE CB C 13 43.340 0.036 . . . . . . . 12 F CB . 51794 1 50 . 1 . 1 12 12 PHE N N 15 112.472 0.035 . . . . . . . 12 F N . 51794 1 51 . 1 . 1 13 13 ALA H H 1 9.618 0.003 . . . . . . . 13 A H . 51794 1 52 . 1 . 1 13 13 ALA C C 13 177.060 0.003 . . . . . . . 13 A C . 51794 1 53 . 1 . 1 13 13 ALA CA C 13 50.087 0.016 . . . . . . . 13 A CA . 51794 1 54 . 1 . 1 13 13 ALA CB C 13 23.627 0.000 . . . . . . . 13 A CB . 51794 1 55 . 1 . 1 13 13 ALA N N 15 123.827 0.022 . . . . . . . 13 A N . 51794 1 56 . 1 . 1 14 14 LYS H H 1 9.402 0.003 . . . . . . . 14 K H . 51794 1 57 . 1 . 1 14 14 LYS C C 13 172.950 0.003 . . . . . . . 14 K C . 51794 1 58 . 1 . 1 14 14 LYS CA C 13 54.117 0.006 . . . . . . . 14 K CA . 51794 1 59 . 1 . 1 14 14 LYS CB C 13 35.157 0.036 . . . . . . . 14 K CB . 51794 1 60 . 1 . 1 14 14 LYS N N 15 127.676 0.011 . . . . . . . 14 K N . 51794 1 61 . 1 . 1 15 15 MET H H 1 8.679 0.002 . . . . . . . 15 M H . 51794 1 62 . 1 . 1 15 15 MET C C 13 175.755 0.003 . . . . . . . 15 M C . 51794 1 63 . 1 . 1 15 15 MET CA C 13 53.697 0.061 . . . . . . . 15 M CA . 51794 1 64 . 1 . 1 15 15 MET CB C 13 35.794 0.025 . . . . . . . 15 M CB . 51794 1 65 . 1 . 1 15 15 MET N N 15 125.998 0.004 . . . . . . . 15 M N . 51794 1 66 . 1 . 1 16 16 LYS H H 1 8.627 0.001 . . . . . . . 16 K H . 51794 1 67 . 1 . 1 16 16 LYS C C 13 177.781 0.000 . . . . . . . 16 K C . 51794 1 68 . 1 . 1 16 16 LYS CA C 13 58.558 0.000 . . . . . . . 16 K CA . 51794 1 69 . 1 . 1 16 16 LYS CB C 13 32.014 0.000 . . . . . . . 16 K CB . 51794 1 70 . 1 . 1 16 16 LYS N N 15 124.106 0.029 . . . . . . . 16 K N . 51794 1 71 . 1 . 1 17 17 GLY C C 13 173.747 0.000 . . . . . . . 17 G C . 51794 1 72 . 1 . 1 17 17 GLY CA C 13 45.181 0.000 . . . . . . . 17 G CA . 51794 1 73 . 1 . 1 18 18 TYR H H 1 8.095 0.003 . . . . . . . 18 Y H . 51794 1 74 . 1 . 1 18 18 TYR C C 13 172.882 0.000 . . . . . . . 18 Y C . 51794 1 75 . 1 . 1 18 18 TYR CA C 13 55.700 0.000 . . . . . . . 18 Y CA . 51794 1 76 . 1 . 1 18 18 TYR CB C 13 40.832 0.000 . . . . . . . 18 Y CB . 51794 1 77 . 1 . 1 18 18 TYR N N 15 120.019 0.012 . . . . . . . 18 Y N . 51794 1 78 . 1 . 1 19 19 PRO C C 13 176.889 0.000 . . . . . . . 19 P C . 51794 1 79 . 1 . 1 19 19 PRO CA C 13 62.145 0.000 . . . . . . . 19 P CA . 51794 1 80 . 1 . 1 19 19 PRO CB C 13 31.708 0.000 . . . . . . . 19 P CB . 51794 1 81 . 1 . 1 20 20 HIS H H 1 8.145 0.002 . . . . . . . 20 H H . 51794 1 82 . 1 . 1 20 20 HIS C C 13 175.961 0.012 . . . . . . . 20 H C . 51794 1 83 . 1 . 1 20 20 HIS CA C 13 60.785 0.007 . . . . . . . 20 H CA . 51794 1 84 . 1 . 1 20 20 HIS CB C 13 30.678 0.006 . . . . . . . 20 H CB . 51794 1 85 . 1 . 1 20 20 HIS N N 15 119.170 0.023 . . . . . . . 20 H N . 51794 1 86 . 1 . 1 21 21 TRP H H 1 9.207 0.002 . . . . . . . 21 W H . 51794 1 87 . 1 . 1 21 21 TRP HE1 H 1 10.732 0.000 . . . . . . . 21 W HE1 . 51794 1 88 . 1 . 1 21 21 TRP C C 13 175.079 0.000 . . . . . . . 21 W C . 51794 1 89 . 1 . 1 21 21 TRP CA C 13 55.859 0.000 . . . . . . . 21 W CA . 51794 1 90 . 1 . 1 21 21 TRP CB C 13 33.029 0.000 . . . . . . . 21 W CB . 51794 1 91 . 1 . 1 21 21 TRP N N 15 127.389 0.003 . . . . . . . 21 W N . 51794 1 92 . 1 . 1 21 21 TRP NE1 N 15 129.830 0.000 . . . . . . . 21 W NE1 . 51794 1 93 . 1 . 1 22 22 PRO C C 13 175.214 0.000 . . . . . . . 22 P C . 51794 1 94 . 1 . 1 22 22 PRO CA C 13 62.904 0.006 . . . . . . . 22 P CA . 51794 1 95 . 1 . 1 22 22 PRO CB C 13 32.262 0.040 . . . . . . . 22 P CB . 51794 1 96 . 1 . 1 23 23 ALA H H 1 9.376 0.002 . . . . . . . 23 A H . 51794 1 97 . 1 . 1 23 23 ALA C C 13 174.251 0.005 . . . . . . . 23 A C . 51794 1 98 . 1 . 1 23 23 ALA CA C 13 52.571 0.039 . . . . . . . 23 A CA . 51794 1 99 . 1 . 1 23 23 ALA CB C 13 23.176 0.016 . . . . . . . 23 A CB . 51794 1 100 . 1 . 1 23 23 ALA N N 15 130.269 0.021 . . . . . . . 23 A N . 51794 1 101 . 1 . 1 24 24 ARG H H 1 8.800 0.002 . . . . . . . 24 R H . 51794 1 102 . 1 . 1 24 24 ARG C C 13 175.073 0.002 . . . . . . . 24 R C . 51794 1 103 . 1 . 1 24 24 ARG CA C 13 53.641 0.002 . . . . . . . 24 R CA . 51794 1 104 . 1 . 1 24 24 ARG CB C 13 35.105 0.000 . . . . . . . 24 R CB . 51794 1 105 . 1 . 1 24 24 ARG N N 15 117.571 0.013 . . . . . . . 24 R N . 51794 1 106 . 1 . 1 25 25 VAL H H 1 8.385 0.002 . . . . . . . 25 V H . 51794 1 107 . 1 . 1 25 25 VAL C C 13 175.417 0.014 . . . . . . . 25 V C . 51794 1 108 . 1 . 1 25 25 VAL CA C 13 62.938 0.053 . . . . . . . 25 V CA . 51794 1 109 . 1 . 1 25 25 VAL CB C 13 30.987 0.068 . . . . . . . 25 V CB . 51794 1 110 . 1 . 1 25 25 VAL N N 15 124.204 0.014 . . . . . . . 25 V N . 51794 1 111 . 1 . 1 26 26 ASP H H 1 8.905 0.002 . . . . . . . 26 D H . 51794 1 112 . 1 . 1 26 26 ASP C C 13 175.231 0.006 . . . . . . . 26 D C . 51794 1 113 . 1 . 1 26 26 ASP CA C 13 53.005 0.019 . . . . . . . 26 D CA . 51794 1 114 . 1 . 1 26 26 ASP CB C 13 44.225 0.042 . . . . . . . 26 D CB . 51794 1 115 . 1 . 1 26 26 ASP N N 15 134.026 0.012 . . . . . . . 26 D N . 51794 1 116 . 1 . 1 27 27 GLU H H 1 7.919 0.001 . . . . . . . 27 E H . 51794 1 117 . 1 . 1 27 27 GLU C C 13 176.277 0.002 . . . . . . . 27 E C . 51794 1 118 . 1 . 1 27 27 GLU CA C 13 55.382 0.005 . . . . . . . 27 E CA . 51794 1 119 . 1 . 1 27 27 GLU CB C 13 31.681 0.027 . . . . . . . 27 E CB . 51794 1 120 . 1 . 1 27 27 GLU N N 15 115.988 0.006 . . . . . . . 27 E N . 51794 1 121 . 1 . 1 28 28 VAL H H 1 8.685 0.001 . . . . . . . 28 V H . 51794 1 122 . 1 . 1 28 28 VAL C C 13 174.499 0.000 . . . . . . . 28 V C . 51794 1 123 . 1 . 1 28 28 VAL CA C 13 60.528 0.000 . . . . . . . 28 V CA . 51794 1 124 . 1 . 1 28 28 VAL CB C 13 32.189 0.000 . . . . . . . 28 V CB . 51794 1 125 . 1 . 1 28 28 VAL N N 15 122.766 0.006 . . . . . . . 28 V N . 51794 1 126 . 1 . 1 29 29 PRO C C 13 176.520 0.000 . . . . . . . 29 P C . 51794 1 127 . 1 . 1 29 29 PRO CA C 13 62.928 0.000 . . . . . . . 29 P CA . 51794 1 128 . 1 . 1 29 29 PRO CB C 13 32.304 0.000 . . . . . . . 29 P CB . 51794 1 129 . 1 . 1 30 30 ASP H H 1 8.434 0.003 . . . . . . . 30 D H . 51794 1 130 . 1 . 1 30 30 ASP C C 13 177.318 0.003 . . . . . . . 30 D C . 51794 1 131 . 1 . 1 30 30 ASP CA C 13 55.688 0.000 . . . . . . . 30 D CA . 51794 1 132 . 1 . 1 30 30 ASP CB C 13 40.988 0.000 . . . . . . . 30 D CB . 51794 1 133 . 1 . 1 30 30 ASP N N 15 120.948 0.014 . . . . . . . 30 D N . 51794 1 134 . 1 . 1 31 31 GLY H H 1 8.524 0.002 . . . . . . . 31 G H . 51794 1 135 . 1 . 1 31 31 GLY C C 13 174.035 0.000 . . . . . . . 31 G C . 51794 1 136 . 1 . 1 31 31 GLY CA C 13 45.393 0.006 . . . . . . . 31 G CA . 51794 1 137 . 1 . 1 31 31 GLY N N 15 111.457 0.028 . . . . . . . 31 G N . 51794 1 138 . 1 . 1 32 32 ALA H H 1 7.826 0.001 . . . . . . . 32 A H . 51794 1 139 . 1 . 1 32 32 ALA C C 13 177.586 0.003 . . . . . . . 32 A C . 51794 1 140 . 1 . 1 32 32 ALA CA C 13 52.013 0.009 . . . . . . . 32 A CA . 51794 1 141 . 1 . 1 32 32 ALA CB C 13 19.867 0.011 . . . . . . . 32 A CB . 51794 1 142 . 1 . 1 32 32 ALA N N 15 122.918 0.006 . . . . . . . 32 A N . 51794 1 143 . 1 . 1 33 33 VAL H H 1 8.006 0.000 . . . . . . . 33 V H . 51794 1 144 . 1 . 1 33 33 VAL C C 13 175.511 0.001 . . . . . . . 33 V C . 51794 1 145 . 1 . 1 33 33 VAL CA C 13 62.730 0.031 . . . . . . . 33 V CA . 51794 1 146 . 1 . 1 33 33 VAL CB C 13 32.296 0.022 . . . . . . . 33 V CB . 51794 1 147 . 1 . 1 33 33 VAL N N 15 119.484 0.010 . . . . . . . 33 V N . 51794 1 148 . 1 . 1 34 34 LYS H H 1 8.276 0.000 . . . . . . . 34 K H . 51794 1 149 . 1 . 1 34 34 LYS C C 13 173.927 0.000 . . . . . . . 34 K C . 51794 1 150 . 1 . 1 34 34 LYS N N 15 125.661 0.007 . . . . . . . 34 K N . 51794 1 151 . 1 . 1 36 36 PRO C C 13 176.045 0.000 . . . . . . . 36 P C . 51794 1 152 . 1 . 1 36 36 PRO CA C 13 62.418 0.000 . . . . . . . 36 P CA . 51794 1 153 . 1 . 1 36 36 PRO CB C 13 31.961 0.000 . . . . . . . 36 P CB . 51794 1 154 . 1 . 1 37 37 THR H H 1 8.073 0.002 . . . . . . . 37 T H . 51794 1 155 . 1 . 1 37 37 THR CA C 13 63.471 0.000 . . . . . . . 37 T CA . 51794 1 156 . 1 . 1 37 37 THR N N 15 113.896 0.009 . . . . . . . 37 T N . 51794 1 157 . 1 . 1 38 38 ASN C C 13 174.368 0.000 . . . . . . . 38 N C . 51794 1 158 . 1 . 1 38 38 ASN CA C 13 54.085 0.000 . . . . . . . 38 N CA . 51794 1 159 . 1 . 1 38 38 ASN CB C 13 37.593 0.023 . . . . . . . 38 N CB . 51794 1 160 . 1 . 1 39 39 LYS H H 1 7.711 0.001 . . . . . . . 39 K H . 51794 1 161 . 1 . 1 39 39 LYS C C 13 174.557 0.001 . . . . . . . 39 K C . 51794 1 162 . 1 . 1 39 39 LYS CA C 13 54.992 0.011 . . . . . . . 39 K CA . 51794 1 163 . 1 . 1 39 39 LYS CB C 13 36.362 0.021 . . . . . . . 39 K CB . 51794 1 164 . 1 . 1 39 39 LYS N N 15 116.219 0.009 . . . . . . . 39 K N . 51794 1 165 . 1 . 1 40 40 LEU H H 1 9.068 0.002 . . . . . . . 40 L H . 51794 1 166 . 1 . 1 40 40 LEU C C 13 173.766 0.000 . . . . . . . 40 L C . 51794 1 167 . 1 . 1 40 40 LEU CA C 13 52.006 0.000 . . . . . . . 40 L CA . 51794 1 168 . 1 . 1 40 40 LEU CB C 13 44.385 0.000 . . . . . . . 40 L CB . 51794 1 169 . 1 . 1 40 40 LEU N N 15 121.293 0.010 . . . . . . . 40 L N . 51794 1 170 . 1 . 1 41 41 PRO C C 13 174.454 0.000 . . . . . . . 41 P C . 51794 1 171 . 1 . 1 41 41 PRO CA C 13 62.023 0.039 . . . . . . . 41 P CA . 51794 1 172 . 1 . 1 41 41 PRO CB C 13 30.560 0.020 . . . . . . . 41 P CB . 51794 1 173 . 1 . 1 42 42 ILE H H 1 8.899 0.002 . . . . . . . 42 I H . 51794 1 174 . 1 . 1 42 42 ILE C C 13 174.464 0.007 . . . . . . . 42 I C . 51794 1 175 . 1 . 1 42 42 ILE CA C 13 57.124 0.011 . . . . . . . 42 I CA . 51794 1 176 . 1 . 1 42 42 ILE CB C 13 37.307 0.067 . . . . . . . 42 I CB . 51794 1 177 . 1 . 1 42 42 ILE N N 15 126.040 0.019 . . . . . . . 42 I N . 51794 1 178 . 1 . 1 43 43 PHE H H 1 8.749 0.002 . . . . . . . 43 F H . 51794 1 179 . 1 . 1 43 43 PHE C C 13 173.629 0.002 . . . . . . . 43 F C . 51794 1 180 . 1 . 1 43 43 PHE CA C 13 56.024 0.022 . . . . . . . 43 F CA . 51794 1 181 . 1 . 1 43 43 PHE CB C 13 41.242 0.041 . . . . . . . 43 F CB . 51794 1 182 . 1 . 1 43 43 PHE N N 15 128.315 0.019 . . . . . . . 43 F N . 51794 1 183 . 1 . 1 44 44 PHE H H 1 8.517 0.001 . . . . . . . 44 F H . 51794 1 184 . 1 . 1 44 44 PHE C C 13 175.619 0.000 . . . . . . . 44 F C . 51794 1 185 . 1 . 1 44 44 PHE CA C 13 57.454 0.061 . . . . . . . 44 F CA . 51794 1 186 . 1 . 1 44 44 PHE CB C 13 38.780 0.024 . . . . . . . 44 F CB . 51794 1 187 . 1 . 1 44 44 PHE N N 15 126.009 0.010 . . . . . . . 44 F N . 51794 1 188 . 1 . 1 45 45 PHE H H 1 8.588 0.002 . . . . . . . 45 F H . 51794 1 189 . 1 . 1 45 45 PHE C C 13 177.469 0.000 . . . . . . . 45 F C . 51794 1 190 . 1 . 1 45 45 PHE CA C 13 60.445 0.023 . . . . . . . 45 F CA . 51794 1 191 . 1 . 1 45 45 PHE CB C 13 39.745 0.033 . . . . . . . 45 F CB . 51794 1 192 . 1 . 1 45 45 PHE N N 15 122.120 0.047 . . . . . . . 45 F N . 51794 1 193 . 1 . 1 46 46 GLY H H 1 10.312 0.001 . . . . . . . 46 G H . 51794 1 194 . 1 . 1 46 46 GLY C C 13 175.879 0.000 . . . . . . . 46 G C . 51794 1 195 . 1 . 1 46 46 GLY CA C 13 46.758 0.024 . . . . . . . 46 G CA . 51794 1 196 . 1 . 1 46 46 GLY N N 15 114.084 0.018 . . . . . . . 46 G N . 51794 1 197 . 1 . 1 47 47 THR H H 1 7.877 0.002 . . . . . . . 47 T H . 51794 1 198 . 1 . 1 47 47 THR C C 13 175.865 0.010 . . . . . . . 47 T C . 51794 1 199 . 1 . 1 47 47 THR CA C 13 62.120 0.011 . . . . . . . 47 T CA . 51794 1 200 . 1 . 1 47 47 THR CB C 13 68.456 0.009 . . . . . . . 47 T CB . 51794 1 201 . 1 . 1 47 47 THR N N 15 111.226 0.004 . . . . . . . 47 T N . 51794 1 202 . 1 . 1 48 48 HIS H H 1 7.799 0.002 . . . . . . . 48 H H . 51794 1 203 . 1 . 1 48 48 HIS C C 13 173.907 0.006 . . . . . . . 48 H C . 51794 1 204 . 1 . 1 48 48 HIS CA C 13 54.907 0.035 . . . . . . . 48 H CA . 51794 1 205 . 1 . 1 48 48 HIS CB C 13 26.683 0.000 . . . . . . . 48 H CB . 51794 1 206 . 1 . 1 48 48 HIS N N 15 115.717 0.013 . . . . . . . 48 H N . 51794 1 207 . 1 . 1 49 49 GLU H H 1 6.789 0.001 . . . . . . . 49 E H . 51794 1 208 . 1 . 1 49 49 GLU C C 13 174.568 0.002 . . . . . . . 49 E C . 51794 1 209 . 1 . 1 49 49 GLU CA C 13 55.502 0.024 . . . . . . . 49 E CA . 51794 1 210 . 1 . 1 49 49 GLU CB C 13 31.531 0.035 . . . . . . . 49 E CB . 51794 1 211 . 1 . 1 49 49 GLU N N 15 117.450 0.009 . . . . . . . 49 E N . 51794 1 212 . 1 . 1 50 50 THR H H 1 8.116 0.001 . . . . . . . 50 T H . 51794 1 213 . 1 . 1 50 50 THR C C 13 174.208 0.004 . . . . . . . 50 T C . 51794 1 214 . 1 . 1 50 50 THR CA C 13 59.872 0.035 . . . . . . . 50 T CA . 51794 1 215 . 1 . 1 50 50 THR CB C 13 71.789 0.040 . . . . . . . 50 T CB . 51794 1 216 . 1 . 1 50 50 THR N N 15 111.245 0.022 . . . . . . . 50 T N . 51794 1 217 . 1 . 1 51 51 ALA H H 1 8.772 0.002 . . . . . . . 51 A H . 51794 1 218 . 1 . 1 51 51 ALA C C 13 174.882 0.004 . . . . . . . 51 A C . 51794 1 219 . 1 . 1 51 51 ALA CA C 13 51.016 0.037 . . . . . . . 51 A CA . 51794 1 220 . 1 . 1 51 51 ALA CB C 13 23.233 0.000 . . . . . . . 51 A CB . 51794 1 221 . 1 . 1 51 51 ALA N N 15 124.465 0.008 . . . . . . . 51 A N . 51794 1 222 . 1 . 1 52 52 PHE H H 1 8.509 0.001 . . . . . . . 52 F H . 51794 1 223 . 1 . 1 52 52 PHE C C 13 175.526 0.014 . . . . . . . 52 F C . 51794 1 224 . 1 . 1 52 52 PHE CA C 13 56.006 0.000 . . . . . . . 52 F CA . 51794 1 225 . 1 . 1 52 52 PHE CB C 13 39.901 0.065 . . . . . . . 52 F CB . 51794 1 226 . 1 . 1 52 52 PHE N N 15 118.173 0.021 . . . . . . . 52 F N . 51794 1 227 . 1 . 1 53 53 LEU H H 1 8.564 0.002 . . . . . . . 53 L H . 51794 1 228 . 1 . 1 53 53 LEU C C 13 175.916 0.007 . . . . . . . 53 L C . 51794 1 229 . 1 . 1 53 53 LEU CA C 13 53.497 0.019 . . . . . . . 53 L CA . 51794 1 230 . 1 . 1 53 53 LEU CB C 13 46.595 0.058 . . . . . . . 53 L CB . 51794 1 231 . 1 . 1 53 53 LEU N N 15 123.353 0.015 . . . . . . . 53 L N . 51794 1 232 . 1 . 1 54 54 GLY H H 1 9.321 0.001 . . . . . . . 54 G H . 51794 1 233 . 1 . 1 54 54 GLY C C 13 172.809 0.000 . . . . . . . 54 G C . 51794 1 234 . 1 . 1 54 54 GLY CA C 13 43.986 0.000 . . . . . . . 54 G CA . 51794 1 235 . 1 . 1 54 54 GLY N N 15 108.645 0.020 . . . . . . . 54 G N . 51794 1 236 . 1 . 1 55 55 PRO C C 13 177.917 0.000 . . . . . . . 55 P C . 51794 1 237 . 1 . 1 55 55 PRO CA C 13 64.902 0.000 . . . . . . . 55 P CA . 51794 1 238 . 1 . 1 55 55 PRO CB C 13 32.304 0.000 . . . . . . . 55 P CB . 51794 1 239 . 1 . 1 56 56 LYS H H 1 8.309 0.003 . . . . . . . 56 K H . 51794 1 240 . 1 . 1 56 56 LYS C C 13 176.647 0.003 . . . . . . . 56 K C . 51794 1 241 . 1 . 1 56 56 LYS CA C 13 57.814 0.015 . . . . . . . 56 K CA . 51794 1 242 . 1 . 1 56 56 LYS CB C 13 31.574 0.012 . . . . . . . 56 K CB . 51794 1 243 . 1 . 1 56 56 LYS N N 15 115.302 0.014 . . . . . . . 56 K N . 51794 1 244 . 1 . 1 57 57 ASP H H 1 7.778 0.002 . . . . . . . 57 D H . 51794 1 245 . 1 . 1 57 57 ASP C C 13 173.342 0.000 . . . . . . . 57 D C . 51794 1 246 . 1 . 1 57 57 ASP CA C 13 54.579 0.018 . . . . . . . 57 D CA . 51794 1 247 . 1 . 1 57 57 ASP CB C 13 43.632 0.023 . . . . . . . 57 D CB . 51794 1 248 . 1 . 1 57 57 ASP N N 15 117.985 0.005 . . . . . . . 57 D N . 51794 1 249 . 1 . 1 58 58 ILE H H 1 6.810 0.002 . . . . . . . 58 I H . 51794 1 250 . 1 . 1 58 58 ILE C C 13 173.429 0.000 . . . . . . . 58 I C . 51794 1 251 . 1 . 1 58 58 ILE CA C 13 60.025 0.007 . . . . . . . 58 I CA . 51794 1 252 . 1 . 1 58 58 ILE CB C 13 40.705 0.000 . . . . . . . 58 I CB . 51794 1 253 . 1 . 1 58 58 ILE N N 15 114.226 0.005 . . . . . . . 58 I N . 51794 1 254 . 1 . 1 59 59 PHE H H 1 8.687 0.002 . . . . . . . 59 F H . 51794 1 255 . 1 . 1 59 59 PHE C C 13 173.493 0.000 . . . . . . . 59 F C . 51794 1 256 . 1 . 1 59 59 PHE CA C 13 54.851 0.000 . . . . . . . 59 F CA . 51794 1 257 . 1 . 1 59 59 PHE CB C 13 42.003 0.000 . . . . . . . 59 F CB . 51794 1 258 . 1 . 1 59 59 PHE N N 15 119.589 0.002 . . . . . . . 59 F N . 51794 1 259 . 1 . 1 60 60 PRO C C 13 177.457 0.000 . . . . . . . 60 P C . 51794 1 260 . 1 . 1 60 60 PRO CA C 13 64.265 0.000 . . . . . . . 60 P CA . 51794 1 261 . 1 . 1 60 60 PRO CB C 13 32.524 0.000 . . . . . . . 60 P CB . 51794 1 262 . 1 . 1 61 61 TYR H H 1 8.311 0.002 . . . . . . . 61 Y H . 51794 1 263 . 1 . 1 61 61 TYR C C 13 177.541 0.003 . . . . . . . 61 Y C . 51794 1 264 . 1 . 1 61 61 TYR CA C 13 61.218 0.019 . . . . . . . 61 Y CA . 51794 1 265 . 1 . 1 61 61 TYR CB C 13 38.737 0.014 . . . . . . . 61 Y CB . 51794 1 266 . 1 . 1 61 61 TYR N N 15 124.320 0.070 . . . . . . . 61 Y N . 51794 1 267 . 1 . 1 62 62 SER H H 1 8.949 0.001 . . . . . . . 62 S H . 51794 1 268 . 1 . 1 62 62 SER C C 13 177.764 0.000 . . . . . . . 62 S C . 51794 1 269 . 1 . 1 62 62 SER CA C 13 63.117 0.051 . . . . . . . 62 S CA . 51794 1 270 . 1 . 1 62 62 SER CB C 13 62.299 0.063 . . . . . . . 62 S CB . 51794 1 271 . 1 . 1 62 62 SER N N 15 114.878 0.018 . . . . . . . 62 S N . 51794 1 272 . 1 . 1 63 63 GLU H H 1 8.801 0.001 . . . . . . . 63 E H . 51794 1 273 . 1 . 1 63 63 GLU C C 13 176.547 0.006 . . . . . . . 63 E C . 51794 1 274 . 1 . 1 63 63 GLU CA C 13 58.313 0.026 . . . . . . . 63 E CA . 51794 1 275 . 1 . 1 63 63 GLU CB C 13 30.138 0.060 . . . . . . . 63 E CB . 51794 1 276 . 1 . 1 63 63 GLU N N 15 117.985 0.007 . . . . . . . 63 E N . 51794 1 277 . 1 . 1 64 64 ASN H H 1 7.436 0.002 . . . . . . . 64 N H . 51794 1 278 . 1 . 1 64 64 ASN C C 13 174.888 0.004 . . . . . . . 64 N C . 51794 1 279 . 1 . 1 64 64 ASN CA C 13 53.799 0.003 . . . . . . . 64 N CA . 51794 1 280 . 1 . 1 64 64 ASN CB C 13 41.967 0.018 . . . . . . . 64 N CB . 51794 1 281 . 1 . 1 64 64 ASN N N 15 113.948 0.014 . . . . . . . 64 N N . 51794 1 282 . 1 . 1 65 65 LYS H H 1 7.573 0.002 . . . . . . . 65 K H . 51794 1 283 . 1 . 1 65 65 LYS C C 13 178.148 0.000 . . . . . . . 65 K C . 51794 1 284 . 1 . 1 65 65 LYS CA C 13 61.294 0.037 . . . . . . . 65 K CA . 51794 1 285 . 1 . 1 65 65 LYS CB C 13 32.047 0.040 . . . . . . . 65 K CB . 51794 1 286 . 1 . 1 65 65 LYS N N 15 124.594 0.008 . . . . . . . 65 K N . 51794 1 287 . 1 . 1 66 66 GLU H H 1 8.457 0.002 . . . . . . . 66 E H . 51794 1 288 . 1 . 1 66 66 GLU C C 13 176.906 0.009 . . . . . . . 66 E C . 51794 1 289 . 1 . 1 66 66 GLU CA C 13 58.660 0.000 . . . . . . . 66 E CA . 51794 1 290 . 1 . 1 66 66 GLU CB C 13 28.867 0.025 . . . . . . . 66 E CB . 51794 1 291 . 1 . 1 66 66 GLU N N 15 118.332 0.037 . . . . . . . 66 E N . 51794 1 292 . 1 . 1 67 67 LYS H H 1 7.082 0.001 . . . . . . . 67 K H . 51794 1 293 . 1 . 1 67 67 LYS C C 13 178.022 0.001 . . . . . . . 67 K C . 51794 1 294 . 1 . 1 67 67 LYS CA C 13 58.388 0.015 . . . . . . . 67 K CA . 51794 1 295 . 1 . 1 67 67 LYS CB C 13 32.963 0.013 . . . . . . . 67 K CB . 51794 1 296 . 1 . 1 67 67 LYS N N 15 117.201 0.005 . . . . . . . 67 K N . 51794 1 297 . 1 . 1 68 68 TYR H H 1 7.321 0.001 . . . . . . . 68 Y H . 51794 1 298 . 1 . 1 68 68 TYR C C 13 177.058 0.002 . . . . . . . 68 Y C . 51794 1 299 . 1 . 1 68 68 TYR CA C 13 55.279 0.043 . . . . . . . 68 Y CA . 51794 1 300 . 1 . 1 68 68 TYR CB C 13 37.309 0.001 . . . . . . . 68 Y CB . 51794 1 301 . 1 . 1 68 68 TYR N N 15 112.293 0.008 . . . . . . . 68 Y N . 51794 1 302 . 1 . 1 69 69 GLY H H 1 8.051 0.002 . . . . . . . 69 G H . 51794 1 303 . 1 . 1 69 69 GLY C C 13 173.521 0.003 . . . . . . . 69 G C . 51794 1 304 . 1 . 1 69 69 GLY CA C 13 46.578 0.011 . . . . . . . 69 G CA . 51794 1 305 . 1 . 1 69 69 GLY N N 15 110.611 0.011 . . . . . . . 69 G N . 51794 1 306 . 1 . 1 70 70 LYS H H 1 7.394 0.001 . . . . . . . 70 K H . 51794 1 307 . 1 . 1 70 70 LYS C C 13 173.695 0.000 . . . . . . . 70 K C . 51794 1 308 . 1 . 1 70 70 LYS CA C 13 53.448 0.000 . . . . . . . 70 K CA . 51794 1 309 . 1 . 1 70 70 LYS CB C 13 32.465 0.000 . . . . . . . 70 K CB . 51794 1 310 . 1 . 1 70 70 LYS N N 15 121.059 0.007 . . . . . . . 70 K N . 51794 1 311 . 1 . 1 71 71 PRO C C 13 176.095 0.000 . . . . . . . 71 P C . 51794 1 312 . 1 . 1 71 71 PRO CA C 13 63.701 0.000 . . . . . . . 71 P CA . 51794 1 313 . 1 . 1 71 71 PRO CB C 13 32.693 0.000 . . . . . . . 71 P CB . 51794 1 314 . 1 . 1 72 72 ASN H H 1 8.666 0.002 . . . . . . . 72 N H . 51794 1 315 . 1 . 1 72 72 ASN C C 13 174.314 0.000 . . . . . . . 72 N C . 51794 1 316 . 1 . 1 72 72 ASN CA C 13 52.998 0.000 . . . . . . . 72 N CA . 51794 1 317 . 1 . 1 72 72 ASN CB C 13 40.985 0.000 . . . . . . . 72 N CB . 51794 1 318 . 1 . 1 72 72 ASN N N 15 119.191 0.005 . . . . . . . 72 N N . 51794 1 319 . 1 . 1 73 73 LYS C C 13 177.594 0.000 . . . . . . . 73 K C . 51794 1 320 . 1 . 1 73 73 LYS CA C 13 56.623 0.000 . . . . . . . 73 K CA . 51794 1 321 . 1 . 1 73 73 LYS CB C 13 32.523 0.002 . . . . . . . 73 K CB . 51794 1 322 . 1 . 1 74 74 ARG H H 1 8.848 0.001 . . . . . . . 74 R H . 51794 1 323 . 1 . 1 74 74 ARG C C 13 177.867 0.001 . . . . . . . 74 R C . 51794 1 324 . 1 . 1 74 74 ARG CA C 13 55.948 0.021 . . . . . . . 74 R CA . 51794 1 325 . 1 . 1 74 74 ARG CB C 13 29.598 0.010 . . . . . . . 74 R CB . 51794 1 326 . 1 . 1 74 74 ARG N N 15 122.203 0.021 . . . . . . . 74 R N . 51794 1 327 . 1 . 1 75 75 LYS H H 1 8.926 0.001 . . . . . . . 75 K H . 51794 1 328 . 1 . 1 75 75 LYS C C 13 177.183 0.007 . . . . . . . 75 K C . 51794 1 329 . 1 . 1 75 75 LYS CA C 13 58.946 0.018 . . . . . . . 75 K CA . 51794 1 330 . 1 . 1 75 75 LYS CB C 13 32.023 0.032 . . . . . . . 75 K CB . 51794 1 331 . 1 . 1 75 75 LYS N N 15 128.193 0.005 . . . . . . . 75 K N . 51794 1 332 . 1 . 1 76 76 GLY H H 1 8.921 0.001 . . . . . . . 76 G H . 51794 1 333 . 1 . 1 76 76 GLY C C 13 174.945 0.001 . . . . . . . 76 G C . 51794 1 334 . 1 . 1 76 76 GLY CA C 13 46.033 0.000 . . . . . . . 76 G CA . 51794 1 335 . 1 . 1 76 76 GLY N N 15 114.609 0.008 . . . . . . . 76 G N . 51794 1 336 . 1 . 1 77 77 PHE H H 1 8.265 0.001 . . . . . . . 77 F H . 51794 1 337 . 1 . 1 77 77 PHE C C 13 177.453 0.000 . . . . . . . 77 F C . 51794 1 338 . 1 . 1 77 77 PHE CA C 13 63.174 0.003 . . . . . . . 77 F CA . 51794 1 339 . 1 . 1 77 77 PHE CB C 13 39.870 0.004 . . . . . . . 77 F CB . 51794 1 340 . 1 . 1 77 77 PHE N N 15 123.760 0.024 . . . . . . . 77 F N . 51794 1 341 . 1 . 1 78 78 ASN H H 1 9.124 0.002 . . . . . . . 78 N H . 51794 1 342 . 1 . 1 78 78 ASN C C 13 174.491 0.000 . . . . . . . 78 N C . 51794 1 343 . 1 . 1 78 78 ASN CA C 13 56.006 0.001 . . . . . . . 78 N CA . 51794 1 344 . 1 . 1 78 78 ASN CB C 13 36.379 0.003 . . . . . . . 78 N CB . 51794 1 345 . 1 . 1 78 78 ASN N N 15 119.790 0.003 . . . . . . . 78 N N . 51794 1 346 . 1 . 1 79 79 GLU H H 1 9.503 0.002 . . . . . . . 79 E H . 51794 1 347 . 1 . 1 79 79 GLU C C 13 173.553 0.000 . . . . . . . 79 E C . 51794 1 348 . 1 . 1 79 79 GLU CA C 13 60.915 0.016 . . . . . . . 79 E CA . 51794 1 349 . 1 . 1 79 79 GLU CB C 13 28.111 0.002 . . . . . . . 79 E CB . 51794 1 350 . 1 . 1 79 79 GLU N N 15 124.338 0.011 . . . . . . . 79 E N . 51794 1 351 . 1 . 1 80 80 GLY H H 1 8.356 0.001 . . . . . . . 80 G H . 51794 1 352 . 1 . 1 80 80 GLY C C 13 175.040 0.004 . . . . . . . 80 G C . 51794 1 353 . 1 . 1 80 80 GLY CA C 13 46.701 0.013 . . . . . . . 80 G CA . 51794 1 354 . 1 . 1 80 80 GLY N N 15 111.392 0.003 . . . . . . . 80 G N . 51794 1 355 . 1 . 1 81 81 LEU H H 1 8.288 0.001 . . . . . . . 81 L H . 51794 1 356 . 1 . 1 81 81 LEU C C 13 173.519 0.000 . . . . . . . 81 L C . 51794 1 357 . 1 . 1 81 81 LEU CA C 13 56.709 0.000 . . . . . . . 81 L CA . 51794 1 358 . 1 . 1 81 81 LEU CB C 13 41.144 0.005 . . . . . . . 81 L CB . 51794 1 359 . 1 . 1 81 81 LEU N N 15 121.168 0.010 . . . . . . . 81 L N . 51794 1 360 . 1 . 1 82 82 TRP H H 1 7.766 0.002 . . . . . . . 82 W H . 51794 1 361 . 1 . 1 82 82 TRP HE1 H 1 10.265 0.000 . . . . . . . 82 W HE1 . 51794 1 362 . 1 . 1 82 82 TRP C C 13 174.048 0.000 . . . . . . . 82 W C . 51794 1 363 . 1 . 1 82 82 TRP CA C 13 62.105 0.013 . . . . . . . 82 W CA . 51794 1 364 . 1 . 1 82 82 TRP CB C 13 28.434 0.000 . . . . . . . 82 W CB . 51794 1 365 . 1 . 1 82 82 TRP N N 15 118.973 0.015 . . . . . . . 82 W N . 51794 1 366 . 1 . 1 82 82 TRP NE1 N 15 130.912 0.000 . . . . . . . 82 W NE1 . 51794 1 367 . 1 . 1 83 83 GLU H H 1 8.775 0.001 . . . . . . . 83 E H . 51794 1 368 . 1 . 1 83 83 GLU C C 13 178.531 0.000 . . . . . . . 83 E C . 51794 1 369 . 1 . 1 83 83 GLU CA C 13 60.126 0.024 . . . . . . . 83 E CA . 51794 1 370 . 1 . 1 83 83 GLU CB C 13 31.048 0.050 . . . . . . . 83 E CB . 51794 1 371 . 1 . 1 83 83 GLU N N 15 120.786 0.009 . . . . . . . 83 E N . 51794 1 372 . 1 . 1 84 84 ILE H H 1 7.641 0.001 . . . . . . . 84 I H . 51794 1 373 . 1 . 1 84 84 ILE C C 13 173.603 0.005 . . . . . . . 84 I C . 51794 1 374 . 1 . 1 84 84 ILE CA C 13 65.206 0.023 . . . . . . . 84 I CA . 51794 1 375 . 1 . 1 84 84 ILE CB C 13 37.276 0.008 . . . . . . . 84 I CB . 51794 1 376 . 1 . 1 84 84 ILE N N 15 117.987 0.004 . . . . . . . 84 I N . 51794 1 377 . 1 . 1 85 85 ASP H H 1 5.879 0.002 . . . . . . . 85 D H . 51794 1 378 . 1 . 1 85 85 ASP C C 13 177.281 0.000 . . . . . . . 85 D C . 51794 1 379 . 1 . 1 85 85 ASP CA C 13 54.931 0.032 . . . . . . . 85 D CA . 51794 1 380 . 1 . 1 85 85 ASP CB C 13 42.463 0.013 . . . . . . . 85 D CB . 51794 1 381 . 1 . 1 85 85 ASP N N 15 114.501 0.039 . . . . . . . 85 D N . 51794 1 382 . 1 . 1 86 86 ASN H H 1 7.467 0.002 . . . . . . . 86 N H . 51794 1 383 . 1 . 1 86 86 ASN C C 13 174.490 0.005 . . . . . . . 86 N C . 51794 1 384 . 1 . 1 86 86 ASN CA C 13 54.595 0.019 . . . . . . . 86 N CA . 51794 1 385 . 1 . 1 86 86 ASN CB C 13 40.547 0.010 . . . . . . . 86 N CB . 51794 1 386 . 1 . 1 86 86 ASN N N 15 114.385 0.007 . . . . . . . 86 N N . 51794 1 387 . 1 . 1 87 87 ASN H H 1 9.239 0.001 . . . . . . . 87 N H . 51794 1 388 . 1 . 1 87 87 ASN C C 13 171.814 0.000 . . . . . . . 87 N C . 51794 1 389 . 1 . 1 87 87 ASN CA C 13 51.647 0.000 . . . . . . . 87 N CA . 51794 1 390 . 1 . 1 87 87 ASN CB C 13 38.887 0.000 . . . . . . . 87 N CB . 51794 1 391 . 1 . 1 87 87 ASN N N 15 119.209 0.011 . . . . . . . 87 N N . 51794 1 392 . 1 . 1 88 88 PRO C C 13 177.858 0.000 . . . . . . . 88 P C . 51794 1 393 . 1 . 1 88 88 PRO CA C 13 64.616 0.000 . . . . . . . 88 P CA . 51794 1 394 . 1 . 1 88 88 PRO CB C 13 31.959 0.000 . . . . . . . 88 P CB . 51794 1 395 . 1 . 1 89 89 LYS H H 1 8.250 0.001 . . . . . . . 89 K H . 51794 1 396 . 1 . 1 89 89 LYS C C 13 176.766 0.012 . . . . . . . 89 K C . 51794 1 397 . 1 . 1 89 89 LYS CA C 13 55.176 0.062 . . . . . . . 89 K CA . 51794 1 398 . 1 . 1 89 89 LYS CB C 13 31.292 0.021 . . . . . . . 89 K CB . 51794 1 399 . 1 . 1 89 89 LYS N N 15 117.966 0.018 . . . . . . . 89 K N . 51794 1 400 . 1 . 1 90 90 VAL H H 1 7.359 0.001 . . . . . . . 90 V H . 51794 1 401 . 1 . 1 90 90 VAL C C 13 173.517 0.000 . . . . . . . 90 V C . 51794 1 402 . 1 . 1 90 90 VAL CA C 13 62.812 0.000 . . . . . . . 90 V CA . 51794 1 403 . 1 . 1 90 90 VAL CB C 13 31.445 0.000 . . . . . . . 90 V CB . 51794 1 404 . 1 . 1 90 90 VAL N N 15 121.866 0.013 . . . . . . . 90 V N . 51794 1 405 . 1 . 1 91 91 LYS C C 13 174.719 0.000 . . . . . . . 91 K C . 51794 1 406 . 1 . 1 91 91 LYS CA C 13 56.106 0.010 . . . . . . . 91 K CA . 51794 1 407 . 1 . 1 91 91 LYS CB C 13 33.224 0.011 . . . . . . . 91 K CB . 51794 1 408 . 1 . 1 92 92 PHE H H 1 7.797 0.002 . . . . . . . 92 F H . 51794 1 409 . 1 . 1 92 92 PHE C C 13 174.835 0.000 . . . . . . . 92 F C . 51794 1 410 . 1 . 1 92 92 PHE CA C 13 57.715 0.000 . . . . . . . 92 F CA . 51794 1 411 . 1 . 1 92 92 PHE CB C 13 40.818 0.000 . . . . . . . 92 F CB . 51794 1 412 . 1 . 1 92 92 PHE N N 15 120.997 0.013 . . . . . . . 92 F N . 51794 1 413 . 1 . 1 95 95 GLN C C 13 176.176 0.000 . . . . . . . 95 Q C . 51794 1 414 . 1 . 1 95 95 GLN CA C 13 56.189 0.000 . . . . . . . 95 Q CA . 51794 1 415 . 1 . 1 95 95 GLN CB C 13 29.282 0.000 . . . . . . . 95 Q CB . 51794 1 416 . 1 . 1 96 96 GLN H H 1 8.325 0.002 . . . . . . . 96 Q H . 51794 1 417 . 1 . 1 96 96 GLN C C 13 175.905 0.000 . . . . . . . 96 Q C . 51794 1 418 . 1 . 1 96 96 GLN CA C 13 56.112 0.047 . . . . . . . 96 Q CA . 51794 1 419 . 1 . 1 96 96 GLN CB C 13 29.379 0.019 . . . . . . . 96 Q CB . 51794 1 420 . 1 . 1 96 96 GLN N N 15 121.346 0.057 . . . . . . . 96 Q N . 51794 1 421 . 1 . 1 97 97 ALA H H 1 8.306 0.001 . . . . . . . 97 A H . 51794 1 422 . 1 . 1 97 97 ALA C C 13 177.639 0.005 . . . . . . . 97 A C . 51794 1 423 . 1 . 1 97 97 ALA CA C 13 52.718 0.003 . . . . . . . 97 A CA . 51794 1 424 . 1 . 1 97 97 ALA CB C 13 19.207 0.004 . . . . . . . 97 A CB . 51794 1 425 . 1 . 1 97 97 ALA N N 15 125.228 0.011 . . . . . . . 97 A N . 51794 1 426 . 1 . 1 98 98 ALA H H 1 8.277 0.001 . . . . . . . 98 A H . 51794 1 427 . 1 . 1 98 98 ALA C C 13 178.111 0.002 . . . . . . . 98 A C . 51794 1 428 . 1 . 1 98 98 ALA CA C 13 52.738 0.025 . . . . . . . 98 A CA . 51794 1 429 . 1 . 1 98 98 ALA CB C 13 19.182 0.010 . . . . . . . 98 A CB . 51794 1 430 . 1 . 1 98 98 ALA N N 15 123.214 0.007 . . . . . . . 98 A N . 51794 1 431 . 1 . 1 99 99 THR H H 1 8.061 0.001 . . . . . . . 99 T H . 51794 1 432 . 1 . 1 99 99 THR C C 13 174.632 0.004 . . . . . . . 99 T C . 51794 1 433 . 1 . 1 99 99 THR CA C 13 62.054 0.020 . . . . . . . 99 T CA . 51794 1 434 . 1 . 1 99 99 THR CB C 13 69.990 0.032 . . . . . . . 99 T CB . 51794 1 435 . 1 . 1 99 99 THR N N 15 113.380 0.017 . . . . . . . 99 T N . 51794 1 436 . 1 . 1 100 100 LYS H H 1 8.287 0.001 . . . . . . . 100 K H . 51794 1 437 . 1 . 1 100 100 LYS C C 13 176.468 0.044 . . . . . . . 100 K C . 51794 1 438 . 1 . 1 100 100 LYS CA C 13 56.491 0.000 . . . . . . . 100 K CA . 51794 1 439 . 1 . 1 100 100 LYS CB C 13 32.971 0.024 . . . . . . . 100 K CB . 51794 1 440 . 1 . 1 100 100 LYS N N 15 123.756 0.028 . . . . . . . 100 K N . 51794 1 441 . 1 . 1 101 101 GLN H H 1 8.344 0.001 . . . . . . . 101 Q H . 51794 1 442 . 1 . 1 101 101 GLN C C 13 173.912 0.000 . . . . . . . 101 Q C . 51794 1 443 . 1 . 1 101 101 GLN CA C 13 53.639 0.000 . . . . . . . 101 Q CA . 51794 1 444 . 1 . 1 101 101 GLN CB C 13 28.945 0.000 . . . . . . . 101 Q CB . 51794 1 445 . 1 . 1 101 101 GLN N N 15 122.097 0.015 . . . . . . . 101 Q N . 51794 1 446 . 1 . 1 103 103 ASN C C 13 174.967 0.000 . . . . . . . 103 N C . 51794 1 447 . 1 . 1 103 103 ASN CA C 13 53.246 0.000 . . . . . . . 103 N CA . 51794 1 448 . 1 . 1 103 103 ASN CB C 13 38.929 0.000 . . . . . . . 103 N CB . 51794 1 449 . 1 . 1 104 104 ALA H H 1 8.273 0.002 . . . . . . . 104 A H . 51794 1 450 . 1 . 1 104 104 ALA C C 13 177.827 0.005 . . . . . . . 104 A C . 51794 1 451 . 1 . 1 104 104 ALA CA C 13 52.801 0.027 . . . . . . . 104 A CA . 51794 1 452 . 1 . 1 104 104 ALA CB C 13 19.285 0.011 . . . . . . . 104 A CB . 51794 1 453 . 1 . 1 104 104 ALA N N 15 124.340 0.011 . . . . . . . 104 A N . 51794 1 454 . 1 . 1 105 105 SER H H 1 8.321 0.002 . . . . . . . 105 S H . 51794 1 455 . 1 . 1 105 105 SER C C 13 174.686 0.000 . . . . . . . 105 S C . 51794 1 456 . 1 . 1 105 105 SER CA C 13 58.454 0.012 . . . . . . . 105 S CA . 51794 1 457 . 1 . 1 105 105 SER CB C 13 63.910 0.001 . . . . . . . 105 S CB . 51794 1 458 . 1 . 1 105 105 SER N N 15 115.192 0.010 . . . . . . . 105 S N . 51794 1 459 . 1 . 1 106 106 SER H H 1 8.308 0.001 . . . . . . . 106 S H . 51794 1 460 . 1 . 1 106 106 SER C C 13 174.228 0.000 . . . . . . . 106 S C . 51794 1 461 . 1 . 1 106 106 SER CA C 13 58.441 0.002 . . . . . . . 106 S CA . 51794 1 462 . 1 . 1 106 106 SER CB C 13 63.970 0.014 . . . . . . . 106 S CB . 51794 1 463 . 1 . 1 106 106 SER N N 15 117.437 0.011 . . . . . . . 106 S N . 51794 1 464 . 1 . 1 107 107 ASP H H 1 8.360 0.004 . . . . . . . 107 D H . 51794 1 465 . 1 . 1 107 107 ASP C C 13 176.107 0.016 . . . . . . . 107 D C . 51794 1 466 . 1 . 1 107 107 ASP CA C 13 54.572 0.010 . . . . . . . 107 D CA . 51794 1 467 . 1 . 1 107 107 ASP CB C 13 41.100 0.003 . . . . . . . 107 D CB . 51794 1 468 . 1 . 1 107 107 ASP N N 15 122.585 0.040 . . . . . . . 107 D N . 51794 1 469 . 1 . 1 108 108 VAL H H 1 7.948 0.000 . . . . . . . 108 V H . 51794 1 470 . 1 . 1 108 108 VAL C C 13 176.067 0.005 . . . . . . . 108 V C . 51794 1 471 . 1 . 1 108 108 VAL CA C 13 62.265 0.009 . . . . . . . 108 V CA . 51794 1 472 . 1 . 1 108 108 VAL CB C 13 32.914 0.023 . . . . . . . 108 V CB . 51794 1 473 . 1 . 1 108 108 VAL N N 15 119.217 0.004 . . . . . . . 108 V N . 51794 1 474 . 1 . 1 109 109 GLU H H 1 8.423 0.000 . . . . . . . 109 E H . 51794 1 475 . 1 . 1 109 109 GLU C C 13 176.415 0.003 . . . . . . . 109 E C . 51794 1 476 . 1 . 1 109 109 GLU CA C 13 56.650 0.031 . . . . . . . 109 E CA . 51794 1 477 . 1 . 1 109 109 GLU CB C 13 30.307 0.004 . . . . . . . 109 E CB . 51794 1 478 . 1 . 1 109 109 GLU N N 15 124.747 0.012 . . . . . . . 109 E N . 51794 1 479 . 1 . 1 110 110 VAL H H 1 8.176 0.000 . . . . . . . 110 V H . 51794 1 480 . 1 . 1 110 110 VAL C C 13 176.023 0.002 . . . . . . . 110 V C . 51794 1 481 . 1 . 1 110 110 VAL CA C 13 62.285 0.015 . . . . . . . 110 V CA . 51794 1 482 . 1 . 1 110 110 VAL CB C 13 32.961 0.051 . . . . . . . 110 V CB . 51794 1 483 . 1 . 1 110 110 VAL N N 15 121.488 0.014 . . . . . . . 110 V N . 51794 1 484 . 1 . 1 111 111 GLU H H 1 8.448 0.001 . . . . . . . 111 E H . 51794 1 485 . 1 . 1 111 111 GLU C C 13 176.376 0.002 . . . . . . . 111 E C . 51794 1 486 . 1 . 1 111 111 GLU CA C 13 56.599 0.024 . . . . . . . 111 E CA . 51794 1 487 . 1 . 1 111 111 GLU CB C 13 30.547 0.006 . . . . . . . 111 E CB . 51794 1 488 . 1 . 1 111 111 GLU N N 15 124.940 0.011 . . . . . . . 111 E N . 51794 1 489 . 1 . 1 112 112 GLU H H 1 8.489 0.000 . . . . . . . 112 E H . 51794 1 490 . 1 . 1 112 112 GLU C C 13 176.387 0.007 . . . . . . . 112 E C . 51794 1 491 . 1 . 1 112 112 GLU CA C 13 56.601 0.027 . . . . . . . 112 E CA . 51794 1 492 . 1 . 1 112 112 GLU CB C 13 30.298 0.041 . . . . . . . 112 E CB . 51794 1 493 . 1 . 1 112 112 GLU N N 15 123.273 0.014 . . . . . . . 112 E N . 51794 1 494 . 1 . 1 113 113 LYS H H 1 8.367 0.001 . . . . . . . 113 K H . 51794 1 495 . 1 . 1 113 113 LYS C C 13 176.682 0.048 . . . . . . . 113 K C . 51794 1 496 . 1 . 1 113 113 LYS CA C 13 56.370 0.068 . . . . . . . 113 K CA . 51794 1 497 . 1 . 1 113 113 LYS CB C 13 33.322 0.041 . . . . . . . 113 K CB . 51794 1 498 . 1 . 1 113 113 LYS N N 15 122.891 0.017 . . . . . . . 113 K N . 51794 1 499 . 1 . 1 114 114 GLU H H 1 8.535 0.001 . . . . . . . 114 E H . 51794 1 500 . 1 . 1 114 114 GLU C C 13 176.720 0.049 . . . . . . . 114 E C . 51794 1 501 . 1 . 1 114 114 GLU CA C 13 56.790 0.031 . . . . . . . 114 E CA . 51794 1 502 . 1 . 1 114 114 GLU CB C 13 30.261 0.024 . . . . . . . 114 E CB . 51794 1 503 . 1 . 1 114 114 GLU N N 15 122.202 0.005 . . . . . . . 114 E N . 51794 1 504 . 1 . 1 115 115 THR H H 1 8.246 0.000 . . . . . . . 115 T H . 51794 1 505 . 1 . 1 115 115 THR C C 13 174.618 0.006 . . . . . . . 115 T C . 51794 1 506 . 1 . 1 115 115 THR CA C 13 61.990 0.000 . . . . . . . 115 T CA . 51794 1 507 . 1 . 1 115 115 THR CB C 13 69.965 0.026 . . . . . . . 115 T CB . 51794 1 508 . 1 . 1 115 115 THR N N 15 115.449 0.015 . . . . . . . 115 T N . 51794 1 509 . 1 . 1 116 116 SER H H 1 8.377 0.002 . . . . . . . 116 S H . 51794 1 510 . 1 . 1 116 116 SER C C 13 174.546 0.068 . . . . . . . 116 S C . 51794 1 511 . 1 . 1 116 116 SER CA C 13 58.400 0.028 . . . . . . . 116 S CA . 51794 1 512 . 1 . 1 116 116 SER CB C 13 63.902 0.009 . . . . . . . 116 S CB . 51794 1 513 . 1 . 1 116 116 SER N N 15 118.625 0.014 . . . . . . . 116 S N . 51794 1 514 . 1 . 1 117 117 VAL H H 1 8.154 0.001 . . . . . . . 117 V H . 51794 1 515 . 1 . 1 117 117 VAL C C 13 176.187 0.000 . . . . . . . 117 V C . 51794 1 516 . 1 . 1 117 117 VAL CA C 13 62.251 0.003 . . . . . . . 117 V CA . 51794 1 517 . 1 . 1 117 117 VAL CB C 13 32.829 0.030 . . . . . . . 117 V CB . 51794 1 518 . 1 . 1 117 117 VAL N N 15 121.688 0.012 . . . . . . . 117 V N . 51794 1 519 . 1 . 1 118 118 SER H H 1 8.439 0.001 . . . . . . . 118 S H . 51794 1 520 . 1 . 1 118 118 SER C C 13 174.620 0.001 . . . . . . . 118 S C . 51794 1 521 . 1 . 1 118 118 SER CA C 13 58.248 0.021 . . . . . . . 118 S CA . 51794 1 522 . 1 . 1 118 118 SER CB C 13 63.910 0.025 . . . . . . . 118 S CB . 51794 1 523 . 1 . 1 118 118 SER N N 15 119.952 0.020 . . . . . . . 118 S N . 51794 1 524 . 1 . 1 119 119 LYS H H 1 8.451 0.001 . . . . . . . 119 K H . 51794 1 525 . 1 . 1 119 119 LYS C C 13 176.587 0.002 . . . . . . . 119 K C . 51794 1 526 . 1 . 1 119 119 LYS CA C 13 56.525 0.005 . . . . . . . 119 K CA . 51794 1 527 . 1 . 1 119 119 LYS CB C 13 32.997 0.037 . . . . . . . 119 K CB . 51794 1 528 . 1 . 1 119 119 LYS N N 15 124.181 0.032 . . . . . . . 119 K N . 51794 1 529 . 1 . 1 120 120 GLU H H 1 8.461 0.001 . . . . . . . 120 E H . 51794 1 530 . 1 . 1 120 120 GLU C C 13 176.333 0.001 . . . . . . . 120 E C . 51794 1 531 . 1 . 1 120 120 GLU CA C 13 56.763 0.009 . . . . . . . 120 E CA . 51794 1 532 . 1 . 1 120 120 GLU CB C 13 30.328 0.032 . . . . . . . 120 E CB . 51794 1 533 . 1 . 1 120 120 GLU N N 15 121.688 0.025 . . . . . . . 120 E N . 51794 1 534 . 1 . 1 121 121 ASP H H 1 8.398 0.004 . . . . . . . 121 D H . 51794 1 535 . 1 . 1 121 121 ASP C C 13 176.541 0.003 . . . . . . . 121 D C . 51794 1 536 . 1 . 1 121 121 ASP CA C 13 54.477 0.009 . . . . . . . 121 D CA . 51794 1 537 . 1 . 1 121 121 ASP CB C 13 41.156 0.006 . . . . . . . 121 D CB . 51794 1 538 . 1 . 1 121 121 ASP N N 15 121.597 0.028 . . . . . . . 121 D N . 51794 1 539 . 1 . 1 122 122 THR H H 1 8.073 0.001 . . . . . . . 122 T H . 51794 1 540 . 1 . 1 122 122 THR C C 13 174.490 0.002 . . . . . . . 122 T C . 51794 1 541 . 1 . 1 122 122 THR CA C 13 62.098 0.033 . . . . . . . 122 T CA . 51794 1 542 . 1 . 1 122 122 THR CB C 13 69.847 0.003 . . . . . . . 122 T CB . 51794 1 543 . 1 . 1 122 122 THR N N 15 113.797 0.015 . . . . . . . 122 T N . 51794 1 544 . 1 . 1 123 123 ASP H H 1 8.351 0.003 . . . . . . . 123 D H . 51794 1 545 . 1 . 1 123 123 ASP C C 13 176.120 0.007 . . . . . . . 123 D C . 51794 1 546 . 1 . 1 123 123 ASP CA C 13 54.584 0.011 . . . . . . . 123 D CA . 51794 1 547 . 1 . 1 123 123 ASP CB C 13 41.095 0.001 . . . . . . . 123 D CB . 51794 1 548 . 1 . 1 123 123 ASP N N 15 122.492 0.042 . . . . . . . 123 D N . 51794 1 549 . 1 . 1 124 124 HIS H H 1 8.226 0.001 . . . . . . . 124 H H . 51794 1 550 . 1 . 1 124 124 HIS C C 13 175.113 0.007 . . . . . . . 124 H C . 51794 1 551 . 1 . 1 124 124 HIS CA C 13 56.310 0.000 . . . . . . . 124 H CA . 51794 1 552 . 1 . 1 124 124 HIS CB C 13 30.175 0.003 . . . . . . . 124 H CB . 51794 1 553 . 1 . 1 124 124 HIS N N 15 119.394 0.008 . . . . . . . 124 H N . 51794 1 554 . 1 . 1 125 125 GLU H H 1 8.327 0.003 . . . . . . . 125 E H . 51794 1 555 . 1 . 1 125 125 GLU C C 13 176.456 0.024 . . . . . . . 125 E C . 51794 1 556 . 1 . 1 125 125 GLU CA C 13 56.677 0.057 . . . . . . . 125 E CA . 51794 1 557 . 1 . 1 125 125 GLU CB C 13 30.425 0.006 . . . . . . . 125 E CB . 51794 1 558 . 1 . 1 125 125 GLU N N 15 122.066 0.011 . . . . . . . 125 E N . 51794 1 559 . 1 . 1 126 126 GLU H H 1 8.513 0.001 . . . . . . . 126 E H . 51794 1 560 . 1 . 1 126 126 GLU C C 13 176.514 0.003 . . . . . . . 126 E C . 51794 1 561 . 1 . 1 126 126 GLU CA C 13 56.752 0.026 . . . . . . . 126 E CA . 51794 1 562 . 1 . 1 126 126 GLU CB C 13 30.166 0.036 . . . . . . . 126 E CB . 51794 1 563 . 1 . 1 126 126 GLU N N 15 122.857 0.010 . . . . . . . 126 E N . 51794 1 564 . 1 . 1 127 127 LYS H H 1 8.344 0.002 . . . . . . . 127 K H . 51794 1 565 . 1 . 1 127 127 LYS C C 13 176.400 0.003 . . . . . . . 127 K C . 51794 1 566 . 1 . 1 127 127 LYS CA C 13 56.189 0.014 . . . . . . . 127 K CA . 51794 1 567 . 1 . 1 127 127 LYS CB C 13 33.117 0.018 . . . . . . . 127 K CB . 51794 1 568 . 1 . 1 127 127 LYS N N 15 122.921 0.023 . . . . . . . 127 K N . 51794 1 569 . 1 . 1 128 128 ALA H H 1 8.388 0.002 . . . . . . . 128 A H . 51794 1 570 . 1 . 1 128 128 ALA C C 13 177.895 0.000 . . . . . . . 128 A C . 51794 1 571 . 1 . 1 128 128 ALA CA C 13 52.620 0.009 . . . . . . . 128 A CA . 51794 1 572 . 1 . 1 128 128 ALA CB C 13 19.258 0.009 . . . . . . . 128 A CB . 51794 1 573 . 1 . 1 128 128 ALA N N 15 125.544 0.019 . . . . . . . 128 A N . 51794 1 574 . 1 . 1 129 129 SER H H 1 8.352 0.001 . . . . . . . 129 S H . 51794 1 575 . 1 . 1 129 129 SER C C 13 174.554 0.004 . . . . . . . 129 S C . 51794 1 576 . 1 . 1 129 129 SER CA C 13 58.358 0.011 . . . . . . . 129 S CA . 51794 1 577 . 1 . 1 129 129 SER CB C 13 63.944 0.004 . . . . . . . 129 S CB . 51794 1 578 . 1 . 1 129 129 SER N N 15 115.229 0.016 . . . . . . . 129 S N . 51794 1 579 . 1 . 1 130 130 ASN H H 1 8.464 0.000 . . . . . . . 130 N H . 51794 1 580 . 1 . 1 130 130 ASN C C 13 175.323 0.000 . . . . . . . 130 N C . 51794 1 581 . 1 . 1 130 130 ASN CA C 13 54.641 0.011 . . . . . . . 130 N CA . 51794 1 582 . 1 . 1 130 130 ASN CB C 13 38.948 0.018 . . . . . . . 130 N CB . 51794 1 583 . 1 . 1 130 130 ASN N N 15 120.820 0.018 . . . . . . . 130 N N . 51794 1 584 . 1 . 1 131 131 GLU H H 1 8.351 0.002 . . . . . . . 131 E H . 51794 1 585 . 1 . 1 131 131 GLU C C 13 176.163 0.000 . . . . . . . 131 E C . 51794 1 586 . 1 . 1 131 131 GLU CA C 13 56.842 0.026 . . . . . . . 131 E CA . 51794 1 587 . 1 . 1 131 131 GLU CB C 13 30.370 0.026 . . . . . . . 131 E CB . 51794 1 588 . 1 . 1 131 131 GLU N N 15 120.873 0.021 . . . . . . . 131 E N . 51794 1 589 . 1 . 1 132 132 ASP H H 1 8.350 0.006 . . . . . . . 132 D H . 51794 1 590 . 1 . 1 132 132 ASP C C 13 176.786 0.000 . . . . . . . 132 D C . 51794 1 591 . 1 . 1 132 132 ASP CA C 13 54.442 0.005 . . . . . . . 132 D CA . 51794 1 592 . 1 . 1 132 132 ASP CB C 13 41.031 0.016 . . . . . . . 132 D CB . 51794 1 593 . 1 . 1 132 132 ASP N N 15 121.378 0.050 . . . . . . . 132 D N . 51794 1 594 . 1 . 1 133 133 VAL H H 1 8.105 0.001 . . . . . . . 133 V H . 51794 1 595 . 1 . 1 133 133 VAL C C 13 176.743 0.004 . . . . . . . 133 V C . 51794 1 596 . 1 . 1 133 133 VAL CA C 13 62.743 0.016 . . . . . . . 133 V CA . 51794 1 597 . 1 . 1 133 133 VAL CB C 13 32.287 0.041 . . . . . . . 133 V CB . 51794 1 598 . 1 . 1 133 133 VAL N N 15 120.125 0.006 . . . . . . . 133 V N . 51794 1 599 . 1 . 1 134 134 THR H H 1 8.255 0.001 . . . . . . . 134 T H . 51794 1 600 . 1 . 1 134 134 THR C C 13 174.718 0.011 . . . . . . . 134 T C . 51794 1 601 . 1 . 1 134 134 THR CA C 13 62.643 0.028 . . . . . . . 134 T CA . 51794 1 602 . 1 . 1 134 134 THR CB C 13 69.668 0.021 . . . . . . . 134 T CB . 51794 1 603 . 1 . 1 134 134 THR N N 15 116.713 0.017 . . . . . . . 134 T N . 51794 1 604 . 1 . 1 135 135 LYS H H 1 8.089 0.001 . . . . . . . 135 K H . 51794 1 605 . 1 . 1 135 135 LYS C C 13 176.109 0.003 . . . . . . . 135 K C . 51794 1 606 . 1 . 1 135 135 LYS CA C 13 56.140 0.025 . . . . . . . 135 K CA . 51794 1 607 . 1 . 1 135 135 LYS CB C 13 33.062 0.028 . . . . . . . 135 K CB . 51794 1 608 . 1 . 1 135 135 LYS N N 15 123.538 0.012 . . . . . . . 135 K N . 51794 1 609 . 1 . 1 136 136 ALA H H 1 8.199 0.000 . . . . . . . 136 A H . 51794 1 610 . 1 . 1 136 136 ALA C C 13 177.697 0.002 . . . . . . . 136 A C . 51794 1 611 . 1 . 1 136 136 ALA CA C 13 52.611 0.008 . . . . . . . 136 A CA . 51794 1 612 . 1 . 1 136 136 ALA CB C 13 19.143 0.013 . . . . . . . 136 A CB . 51794 1 613 . 1 . 1 136 136 ALA N N 15 125.493 0.009 . . . . . . . 136 A N . 51794 1 614 . 1 . 1 137 137 VAL H H 1 8.059 0.000 . . . . . . . 137 V H . 51794 1 615 . 1 . 1 137 137 VAL C C 13 175.763 0.001 . . . . . . . 137 V C . 51794 1 616 . 1 . 1 137 137 VAL CA C 13 62.241 0.030 . . . . . . . 137 V CA . 51794 1 617 . 1 . 1 137 137 VAL CB C 13 32.905 0.033 . . . . . . . 137 V CB . 51794 1 618 . 1 . 1 137 137 VAL N N 15 118.851 0.009 . . . . . . . 137 V N . 51794 1 619 . 1 . 1 138 138 ASP H H 1 8.361 0.001 . . . . . . . 138 D H . 51794 1 620 . 1 . 1 138 138 ASP C C 13 176.422 0.001 . . . . . . . 138 D C . 51794 1 621 . 1 . 1 138 138 ASP CA C 13 54.189 0.007 . . . . . . . 138 D CA . 51794 1 622 . 1 . 1 138 138 ASP CB C 13 41.252 0.011 . . . . . . . 138 D CB . 51794 1 623 . 1 . 1 138 138 ASP N N 15 123.790 0.007 . . . . . . . 138 D N . 51794 1 624 . 1 . 1 139 139 ILE H H 1 8.140 0.001 . . . . . . . 139 I H . 51794 1 625 . 1 . 1 139 139 ILE C C 13 176.613 0.001 . . . . . . . 139 I C . 51794 1 626 . 1 . 1 139 139 ILE CA C 13 61.486 0.047 . . . . . . . 139 I CA . 51794 1 627 . 1 . 1 139 139 ILE CB C 13 38.619 0.025 . . . . . . . 139 I CB . 51794 1 628 . 1 . 1 139 139 ILE N N 15 120.621 0.009 . . . . . . . 139 I N . 51794 1 629 . 1 . 1 140 140 THR H H 1 8.323 0.001 . . . . . . . 140 T H . 51794 1 630 . 1 . 1 140 140 THR C C 13 174.711 0.002 . . . . . . . 140 T C . 51794 1 631 . 1 . 1 140 140 THR CA C 13 62.281 0.013 . . . . . . . 140 T CA . 51794 1 632 . 1 . 1 140 140 THR CB C 13 69.846 0.012 . . . . . . . 140 T CB . 51794 1 633 . 1 . 1 140 140 THR N N 15 116.903 0.016 . . . . . . . 140 T N . 51794 1 634 . 1 . 1 141 141 THR H H 1 8.075 0.000 . . . . . . . 141 T H . 51794 1 635 . 1 . 1 141 141 THR C C 13 172.837 0.000 . . . . . . . 141 T C . 51794 1 636 . 1 . 1 141 141 THR CA C 13 60.240 0.000 . . . . . . . 141 T CA . 51794 1 637 . 1 . 1 141 141 THR CB C 13 69.734 0.000 . . . . . . . 141 T CB . 51794 1 638 . 1 . 1 141 141 THR N N 15 119.155 0.011 . . . . . . . 141 T N . 51794 1 639 . 1 . 1 142 142 PRO C C 13 177.221 0.000 . . . . . . . 142 P C . 51794 1 640 . 1 . 1 142 142 PRO CA C 13 63.525 0.031 . . . . . . . 142 P CA . 51794 1 641 . 1 . 1 142 142 PRO CB C 13 32.128 0.024 . . . . . . . 142 P CB . 51794 1 642 . 1 . 1 143 143 LYS H H 1 8.383 0.001 . . . . . . . 143 K H . 51794 1 643 . 1 . 1 143 143 LYS C C 13 176.851 0.000 . . . . . . . 143 K C . 51794 1 644 . 1 . 1 143 143 LYS CA C 13 56.927 0.051 . . . . . . . 143 K CA . 51794 1 645 . 1 . 1 143 143 LYS CB C 13 32.867 0.035 . . . . . . . 143 K CB . 51794 1 646 . 1 . 1 143 143 LYS N N 15 121.513 0.026 . . . . . . . 143 K N . 51794 1 647 . 1 . 1 144 144 ALA H H 1 8.236 0.001 . . . . . . . 144 A H . 51794 1 648 . 1 . 1 144 144 ALA C C 13 177.635 0.003 . . . . . . . 144 A C . 51794 1 649 . 1 . 1 144 144 ALA CA C 13 52.778 0.000 . . . . . . . 144 A CA . 51794 1 650 . 1 . 1 144 144 ALA CB C 13 19.133 0.025 . . . . . . . 144 A CB . 51794 1 651 . 1 . 1 144 144 ALA N N 15 124.194 0.007 . . . . . . . 144 A N . 51794 1 652 . 1 . 1 145 145 ALA H H 1 8.175 0.001 . . . . . . . 145 A H . 51794 1 653 . 1 . 1 145 145 ALA C C 13 177.883 0.002 . . . . . . . 145 A C . 51794 1 654 . 1 . 1 145 145 ALA CA C 13 52.616 0.049 . . . . . . . 145 A CA . 51794 1 655 . 1 . 1 145 145 ALA CB C 13 19.201 0.005 . . . . . . . 145 A CB . 51794 1 656 . 1 . 1 145 145 ALA N N 15 122.957 0.023 . . . . . . . 145 A N . 51794 1 657 . 1 . 1 146 146 ARG H H 1 8.201 0.002 . . . . . . . 146 R H . 51794 1 658 . 1 . 1 146 146 ARG C C 13 176.472 0.000 . . . . . . . 146 R C . 51794 1 659 . 1 . 1 146 146 ARG CA C 13 56.225 0.000 . . . . . . . 146 R CA . 51794 1 660 . 1 . 1 146 146 ARG CB C 13 30.694 0.000 . . . . . . . 146 R CB . 51794 1 661 . 1 . 1 146 146 ARG N N 15 120.175 0.012 . . . . . . . 146 R N . 51794 1 662 . 1 . 1 151 151 ARG C C 13 176.260 0.000 . . . . . . . 151 R C . 51794 1 663 . 1 . 1 151 151 ARG CA C 13 56.113 0.000 . . . . . . . 151 R CA . 51794 1 664 . 1 . 1 151 151 ARG CB C 13 31.000 0.000 . . . . . . . 151 R CB . 51794 1 665 . 1 . 1 152 152 LYS H H 1 8.405 0.001 . . . . . . . 152 K H . 51794 1 666 . 1 . 1 152 152 LYS C C 13 176.204 0.004 . . . . . . . 152 K C . 51794 1 667 . 1 . 1 152 152 LYS CA C 13 56.621 0.002 . . . . . . . 152 K CA . 51794 1 668 . 1 . 1 152 152 LYS CB C 13 33.085 0.033 . . . . . . . 152 K CB . 51794 1 669 . 1 . 1 152 152 LYS N N 15 123.444 0.040 . . . . . . . 152 K N . 51794 1 670 . 1 . 1 153 153 ALA H H 1 8.370 0.001 . . . . . . . 153 A H . 51794 1 671 . 1 . 1 153 153 ALA C C 13 177.574 0.004 . . . . . . . 153 A C . 51794 1 672 . 1 . 1 153 153 ALA CA C 13 52.459 0.000 . . . . . . . 153 A CA . 51794 1 673 . 1 . 1 153 153 ALA CB C 13 19.279 0.024 . . . . . . . 153 A CB . 51794 1 674 . 1 . 1 153 153 ALA N N 15 125.588 0.021 . . . . . . . 153 A N . 51794 1 675 . 1 . 1 154 154 GLU H H 1 8.372 0.001 . . . . . . . 154 E H . 51794 1 676 . 1 . 1 154 154 GLU C C 13 176.430 0.001 . . . . . . . 154 E C . 51794 1 677 . 1 . 1 154 154 GLU CA C 13 56.647 0.000 . . . . . . . 154 E CA . 51794 1 678 . 1 . 1 154 154 GLU CB C 13 30.473 0.000 . . . . . . . 154 E CB . 51794 1 679 . 1 . 1 154 154 GLU N N 15 120.714 0.013 . . . . . . . 154 E N . 51794 1 680 . 1 . 1 155 155 LYS H H 1 8.330 0.003 . . . . . . . 155 K H . 51794 1 681 . 1 . 1 155 155 LYS C C 13 176.332 0.000 . . . . . . . 155 K C . 51794 1 682 . 1 . 1 155 155 LYS CA C 13 56.654 0.000 . . . . . . . 155 K CA . 51794 1 683 . 1 . 1 155 155 LYS CB C 13 33.034 0.040 . . . . . . . 155 K CB . 51794 1 684 . 1 . 1 155 155 LYS N N 15 122.048 0.022 . . . . . . . 155 K N . 51794 1 685 . 1 . 1 156 156 GLN H H 1 8.462 0.002 . . . . . . . 156 Q H . 51794 1 686 . 1 . 1 156 156 GLN C C 13 175.880 0.003 . . . . . . . 156 Q C . 51794 1 687 . 1 . 1 156 156 GLN CA C 13 55.872 0.011 . . . . . . . 156 Q CA . 51794 1 688 . 1 . 1 156 156 GLN CB C 13 29.459 0.017 . . . . . . . 156 Q CB . 51794 1 689 . 1 . 1 156 156 GLN N N 15 122.584 0.013 . . . . . . . 156 Q N . 51794 1 690 . 1 . 1 157 157 VAL H H 1 8.216 0.001 . . . . . . . 157 V H . 51794 1 691 . 1 . 1 157 157 VAL C C 13 176.172 0.002 . . . . . . . 157 V C . 51794 1 692 . 1 . 1 157 157 VAL CA C 13 62.410 0.008 . . . . . . . 157 V CA . 51794 1 693 . 1 . 1 157 157 VAL CB C 13 32.866 0.009 . . . . . . . 157 V CB . 51794 1 694 . 1 . 1 157 157 VAL N N 15 121.604 0.017 . . . . . . . 157 V N . 51794 1 695 . 1 . 1 158 158 GLU H H 1 8.584 0.001 . . . . . . . 158 E H . 51794 1 696 . 1 . 1 158 158 GLU C C 13 176.641 0.000 . . . . . . . 158 E C . 51794 1 697 . 1 . 1 158 158 GLU CA C 13 56.764 0.007 . . . . . . . 158 E CA . 51794 1 698 . 1 . 1 158 158 GLU CB C 13 30.347 0.015 . . . . . . . 158 E CB . 51794 1 699 . 1 . 1 158 158 GLU N N 15 124.718 0.008 . . . . . . . 158 E N . 51794 1 700 . 1 . 1 159 159 THR H H 1 8.169 0.001 . . . . . . . 159 T H . 51794 1 701 . 1 . 1 159 159 THR C C 13 174.518 0.003 . . . . . . . 159 T C . 51794 1 702 . 1 . 1 159 159 THR CA C 13 61.957 0.049 . . . . . . . 159 T CA . 51794 1 703 . 1 . 1 159 159 THR CB C 13 69.987 0.022 . . . . . . . 159 T CB . 51794 1 704 . 1 . 1 159 159 THR N N 15 115.120 0.020 . . . . . . . 159 T N . 51794 1 705 . 1 . 1 160 160 GLU H H 1 8.467 0.001 . . . . . . . 160 E H . 51794 1 706 . 1 . 1 160 160 GLU C C 13 176.540 0.001 . . . . . . . 160 E C . 51794 1 707 . 1 . 1 160 160 GLU CA C 13 56.766 0.000 . . . . . . . 160 E CA . 51794 1 708 . 1 . 1 160 160 GLU CB C 13 30.401 0.008 . . . . . . . 160 E CB . 51794 1 709 . 1 . 1 160 160 GLU N N 15 123.338 0.022 . . . . . . . 160 E N . 51794 1 710 . 1 . 1 161 161 GLU H H 1 8.465 0.002 . . . . . . . 161 E H . 51794 1 711 . 1 . 1 161 161 GLU C C 13 176.289 0.003 . . . . . . . 161 E C . 51794 1 712 . 1 . 1 161 161 GLU CA C 13 56.705 0.040 . . . . . . . 161 E CA . 51794 1 713 . 1 . 1 161 161 GLU CB C 13 30.324 0.012 . . . . . . . 161 E CB . 51794 1 714 . 1 . 1 161 161 GLU N N 15 122.545 0.016 . . . . . . . 161 E N . 51794 1 715 . 1 . 1 162 162 ALA H H 1 8.369 0.000 . . . . . . . 162 A H . 51794 1 716 . 1 . 1 162 162 ALA C C 13 178.300 0.001 . . . . . . . 162 A C . 51794 1 717 . 1 . 1 162 162 ALA CA C 13 52.847 0.006 . . . . . . . 162 A CA . 51794 1 718 . 1 . 1 162 162 ALA CB C 13 19.224 0.003 . . . . . . . 162 A CB . 51794 1 719 . 1 . 1 162 162 ALA N N 15 125.408 0.019 . . . . . . . 162 A N . 51794 1 720 . 1 . 1 163 163 GLY H H 1 8.361 0.001 . . . . . . . 163 G H . 51794 1 721 . 1 . 1 163 163 GLY C C 13 174.022 0.004 . . . . . . . 163 G C . 51794 1 722 . 1 . 1 163 163 GLY CA C 13 45.293 0.003 . . . . . . . 163 G CA . 51794 1 723 . 1 . 1 163 163 GLY N N 15 108.054 0.009 . . . . . . . 163 G N . 51794 1 724 . 1 . 1 164 164 VAL H H 1 7.921 0.001 . . . . . . . 164 V H . 51794 1 725 . 1 . 1 164 164 VAL C C 13 176.275 0.002 . . . . . . . 164 V C . 51794 1 726 . 1 . 1 164 164 VAL CA C 13 62.395 0.001 . . . . . . . 164 V CA . 51794 1 727 . 1 . 1 164 164 VAL CB C 13 32.785 0.017 . . . . . . . 164 V CB . 51794 1 728 . 1 . 1 164 164 VAL N N 15 119.752 0.005 . . . . . . . 164 V N . 51794 1 729 . 1 . 1 165 165 VAL H H 1 8.318 0.001 . . . . . . . 165 V H . 51794 1 730 . 1 . 1 165 165 VAL C C 13 176.471 0.002 . . . . . . . 165 V C . 51794 1 731 . 1 . 1 165 165 VAL CA C 13 62.371 0.004 . . . . . . . 165 V CA . 51794 1 732 . 1 . 1 165 165 VAL CB C 13 32.742 0.035 . . . . . . . 165 V CB . 51794 1 733 . 1 . 1 165 165 VAL N N 15 124.785 0.008 . . . . . . . 165 V N . 51794 1 734 . 1 . 1 166 166 THR H H 1 8.359 0.003 . . . . . . . 166 T H . 51794 1 735 . 1 . 1 166 166 THR C C 13 174.670 0.000 . . . . . . . 166 T C . 51794 1 736 . 1 . 1 166 166 THR CA C 13 61.835 0.000 . . . . . . . 166 T CA . 51794 1 737 . 1 . 1 166 166 THR CB C 13 69.974 0.037 . . . . . . . 166 T CB . 51794 1 738 . 1 . 1 166 166 THR N N 15 118.843 0.012 . . . . . . . 166 T N . 51794 1 739 . 1 . 1 167 167 THR H H 1 8.155 0.001 . . . . . . . 167 T H . 51794 1 740 . 1 . 1 167 167 THR C C 13 174.416 0.005 . . . . . . . 167 T C . 51794 1 741 . 1 . 1 167 167 THR CA C 13 61.995 0.054 . . . . . . . 167 T CA . 51794 1 742 . 1 . 1 167 167 THR CB C 13 69.933 0.036 . . . . . . . 167 T CB . 51794 1 743 . 1 . 1 167 167 THR N N 15 116.434 0.024 . . . . . . . 167 T N . 51794 1 744 . 1 . 1 168 168 ALA H H 1 8.374 0.001 . . . . . . . 168 A H . 51794 1 745 . 1 . 1 168 168 ALA C C 13 178.005 0.001 . . . . . . . 168 A C . 51794 1 746 . 1 . 1 168 168 ALA CA C 13 52.860 0.016 . . . . . . . 168 A CA . 51794 1 747 . 1 . 1 168 168 ALA CB C 13 19.222 0.002 . . . . . . . 168 A CB . 51794 1 748 . 1 . 1 168 168 ALA N N 15 126.538 0.010 . . . . . . . 168 A N . 51794 1 749 . 1 . 1 169 169 THR H H 1 8.081 0.002 . . . . . . . 169 T H . 51794 1 750 . 1 . 1 169 169 THR C C 13 174.440 0.015 . . . . . . . 169 T C . 51794 1 751 . 1 . 1 169 169 THR CA C 13 62.011 0.001 . . . . . . . 169 T CA . 51794 1 752 . 1 . 1 169 169 THR CB C 13 69.832 0.003 . . . . . . . 169 T CB . 51794 1 753 . 1 . 1 169 169 THR N N 15 113.577 0.019 . . . . . . . 169 T N . 51794 1 754 . 1 . 1 170 170 ALA H H 1 8.269 0.002 . . . . . . . 170 A H . 51794 1 755 . 1 . 1 170 170 ALA C C 13 177.816 0.005 . . . . . . . 170 A C . 51794 1 756 . 1 . 1 170 170 ALA CA C 13 52.745 0.004 . . . . . . . 170 A CA . 51794 1 757 . 1 . 1 170 170 ALA CB C 13 19.294 0.003 . . . . . . . 170 A CB . 51794 1 758 . 1 . 1 170 170 ALA N N 15 126.408 0.005 . . . . . . . 170 A N . 51794 1 759 . 1 . 1 171 171 SER H H 1 8.278 0.002 . . . . . . . 171 S H . 51794 1 760 . 1 . 1 171 171 SER C C 13 174.773 0.000 . . . . . . . 171 S C . 51794 1 761 . 1 . 1 171 171 SER CA C 13 58.498 0.007 . . . . . . . 171 S CA . 51794 1 762 . 1 . 1 171 171 SER CB C 13 63.797 0.004 . . . . . . . 171 S CB . 51794 1 763 . 1 . 1 171 171 SER N N 15 115.307 0.008 . . . . . . . 171 S N . 51794 1 764 . 1 . 1 172 172 VAL H H 1 8.059 0.001 . . . . . . . 172 V H . 51794 1 765 . 1 . 1 172 172 VAL C C 13 175.728 0.000 . . . . . . . 172 V C . 51794 1 766 . 1 . 1 172 172 VAL CA C 13 62.442 0.024 . . . . . . . 172 V CA . 51794 1 767 . 1 . 1 172 172 VAL CB C 13 32.734 0.000 . . . . . . . 172 V CB . 51794 1 768 . 1 . 1 172 172 VAL N N 15 121.166 0.006 . . . . . . . 172 V N . 51794 1 769 . 1 . 1 173 173 ASN H H 1 8.420 0.001 . . . . . . . 173 N H . 51794 1 770 . 1 . 1 173 173 ASN C C 13 175.005 0.006 . . . . . . . 173 N C . 51794 1 771 . 1 . 1 173 173 ASN CA C 13 53.161 0.000 . . . . . . . 173 N CA . 51794 1 772 . 1 . 1 173 173 ASN CB C 13 38.791 0.020 . . . . . . . 173 N CB . 51794 1 773 . 1 . 1 173 173 ASN N N 15 121.800 0.012 . . . . . . . 173 N N . 51794 1 774 . 1 . 1 174 174 LEU H H 1 8.173 0.001 . . . . . . . 174 L H . 51794 1 775 . 1 . 1 174 174 LEU C C 13 177.235 0.002 . . . . . . . 174 L C . 51794 1 776 . 1 . 1 174 174 LEU CA C 13 55.359 0.013 . . . . . . . 174 L CA . 51794 1 777 . 1 . 1 174 174 LEU CB C 13 42.426 0.016 . . . . . . . 174 L CB . 51794 1 778 . 1 . 1 174 174 LEU N N 15 123.050 0.010 . . . . . . . 174 L N . 51794 1 779 . 1 . 1 175 175 LYS H H 1 8.260 0.001 . . . . . . . 175 K H . 51794 1 780 . 1 . 1 175 175 LYS C C 13 176.421 0.004 . . . . . . . 175 K C . 51794 1 781 . 1 . 1 175 175 LYS CA C 13 56.468 0.039 . . . . . . . 175 K CA . 51794 1 782 . 1 . 1 175 175 LYS CB C 13 32.797 0.034 . . . . . . . 175 K CB . 51794 1 783 . 1 . 1 175 175 LYS N N 15 122.097 0.016 . . . . . . . 175 K N . 51794 1 784 . 1 . 1 176 176 VAL H H 1 8.006 0.001 . . . . . . . 176 V H . 51794 1 785 . 1 . 1 176 176 VAL C C 13 175.903 0.002 . . . . . . . 176 V C . 51794 1 786 . 1 . 1 176 176 VAL CA C 13 61.904 0.010 . . . . . . . 176 V CA . 51794 1 787 . 1 . 1 176 176 VAL CB C 13 32.946 0.000 . . . . . . . 176 V CB . 51794 1 788 . 1 . 1 176 176 VAL N N 15 120.950 0.007 . . . . . . . 176 V N . 51794 1 789 . 1 . 1 177 177 SER H H 1 8.440 0.001 . . . . . . . 177 S H . 51794 1 790 . 1 . 1 177 177 SER CA C 13 56.457 0.000 . . . . . . . 177 S CA . 51794 1 791 . 1 . 1 177 177 SER CB C 13 63.468 0.000 . . . . . . . 177 S CB . 51794 1 792 . 1 . 1 177 177 SER N N 15 121.416 0.021 . . . . . . . 177 S N . 51794 1 793 . 1 . 1 181 181 GLY C C 13 173.586 0.000 . . . . . . . 181 G C . 51794 1 794 . 1 . 1 181 181 GLY CA C 13 45.035 0.037 . . . . . . . 181 G CA . 51794 1 795 . 1 . 1 182 182 ARG H H 1 8.197 0.001 . . . . . . . 182 R H . 51794 1 796 . 1 . 1 182 182 ARG C C 13 174.308 0.000 . . . . . . . 182 R C . 51794 1 797 . 1 . 1 182 182 ARG CA C 13 54.021 0.000 . . . . . . . 182 R CA . 51794 1 798 . 1 . 1 182 182 ARG CB C 13 30.319 0.000 . . . . . . . 182 R CB . 51794 1 799 . 1 . 1 182 182 ARG N N 15 121.578 0.029 . . . . . . . 182 R N . 51794 1 800 . 1 . 1 183 183 PRO C C 13 176.633 0.000 . . . . . . . 183 P C . 51794 1 801 . 1 . 1 183 183 PRO CA C 13 63.160 0.032 . . . . . . . 183 P CA . 51794 1 802 . 1 . 1 183 183 PRO CB C 13 32.069 0.026 . . . . . . . 183 P CB . 51794 1 803 . 1 . 1 184 184 ALA H H 1 8.433 0.001 . . . . . . . 184 A H . 51794 1 804 . 1 . 1 184 184 ALA C C 13 177.683 0.002 . . . . . . . 184 A C . 51794 1 805 . 1 . 1 184 184 ALA CA C 13 52.416 0.010 . . . . . . . 184 A CA . 51794 1 806 . 1 . 1 184 184 ALA CB C 13 19.272 0.011 . . . . . . . 184 A CB . 51794 1 807 . 1 . 1 184 184 ALA N N 15 124.656 0.013 . . . . . . . 184 A N . 51794 1 808 . 1 . 1 185 185 ALA H H 1 8.354 0.001 . . . . . . . 185 A H . 51794 1 809 . 1 . 1 185 185 ALA C C 13 177.942 0.001 . . . . . . . 185 A C . 51794 1 810 . 1 . 1 185 185 ALA CA C 13 52.655 0.033 . . . . . . . 185 A CA . 51794 1 811 . 1 . 1 185 185 ALA CB C 13 19.282 0.049 . . . . . . . 185 A CB . 51794 1 812 . 1 . 1 185 185 ALA N N 15 123.534 0.009 . . . . . . . 185 A N . 51794 1 813 . 1 . 1 186 186 THR H H 1 8.050 0.001 . . . . . . . 186 T H . 51794 1 814 . 1 . 1 186 186 THR C C 13 174.477 0.002 . . . . . . . 186 T C . 51794 1 815 . 1 . 1 186 186 THR CA C 13 61.975 0.008 . . . . . . . 186 T CA . 51794 1 816 . 1 . 1 186 186 THR CB C 13 69.877 0.013 . . . . . . . 186 T CB . 51794 1 817 . 1 . 1 186 186 THR N N 15 113.007 0.052 . . . . . . . 186 T N . 51794 1 818 . 1 . 1 187 187 GLU H H 1 8.350 0.002 . . . . . . . 187 E H . 51794 1 819 . 1 . 1 187 187 GLU C C 13 176.148 0.001 . . . . . . . 187 E C . 51794 1 820 . 1 . 1 187 187 GLU CA C 13 56.471 0.025 . . . . . . . 187 E CA . 51794 1 821 . 1 . 1 187 187 GLU CB C 13 30.501 0.013 . . . . . . . 187 E CB . 51794 1 822 . 1 . 1 187 187 GLU N N 15 123.746 0.013 . . . . . . . 187 E N . 51794 1 823 . 1 . 1 188 188 VAL H H 1 8.209 0.001 . . . . . . . 188 V H . 51794 1 824 . 1 . 1 188 188 VAL C C 13 175.911 0.008 . . . . . . . 188 V C . 51794 1 825 . 1 . 1 188 188 VAL CA C 13 62.394 0.015 . . . . . . . 188 V CA . 51794 1 826 . 1 . 1 188 188 VAL CB C 13 32.739 0.000 . . . . . . . 188 V CB . 51794 1 827 . 1 . 1 188 188 VAL N N 15 122.622 0.016 . . . . . . . 188 V N . 51794 1 828 . 1 . 1 189 189 LYS H H 1 8.432 0.001 . . . . . . . 189 K H . 51794 1 829 . 1 . 1 189 189 LYS C C 13 176.078 0.003 . . . . . . . 189 K C . 51794 1 830 . 1 . 1 189 189 LYS CA C 13 55.898 0.013 . . . . . . . 189 K CA . 51794 1 831 . 1 . 1 189 189 LYS CB C 13 32.923 0.039 . . . . . . . 189 K CB . 51794 1 832 . 1 . 1 189 189 LYS N N 15 126.214 0.012 . . . . . . . 189 K N . 51794 1 833 . 1 . 1 190 190 ILE H H 1 8.224 0.001 . . . . . . . 190 I H . 51794 1 834 . 1 . 1 190 190 ILE C C 13 174.497 0.000 . . . . . . . 190 I C . 51794 1 835 . 1 . 1 190 190 ILE CA C 13 58.493 0.000 . . . . . . . 190 I CA . 51794 1 836 . 1 . 1 190 190 ILE CB C 13 38.639 0.000 . . . . . . . 190 I CB . 51794 1 837 . 1 . 1 190 190 ILE N N 15 124.436 0.016 . . . . . . . 190 I N . 51794 1 838 . 1 . 1 195 195 GLY C C 13 173.568 0.000 . . . . . . . 195 G C . 51794 1 839 . 1 . 1 195 195 GLY CA C 13 44.995 0.006 . . . . . . . 195 G CA . 51794 1 840 . 1 . 1 196 196 ARG H H 1 8.254 0.001 . . . . . . . 196 R H . 51794 1 841 . 1 . 1 196 196 ARG C C 13 174.378 0.000 . . . . . . . 196 R C . 51794 1 842 . 1 . 1 196 196 ARG CA C 13 53.993 0.000 . . . . . . . 196 R CA . 51794 1 843 . 1 . 1 196 196 ARG CB C 13 30.210 0.000 . . . . . . . 196 R CB . 51794 1 844 . 1 . 1 196 196 ARG N N 15 121.797 0.010 . . . . . . . 196 R N . 51794 1 845 . 1 . 1 198 198 LYS C C 13 176.547 0.000 . . . . . . . 198 K C . 51794 1 846 . 1 . 1 198 198 LYS CA C 13 56.474 0.000 . . . . . . . 198 K CA . 51794 1 847 . 1 . 1 198 198 LYS CB C 13 33.019 0.000 . . . . . . . 198 K CB . 51794 1 848 . 1 . 1 199 199 MET H H 1 8.373 0.002 . . . . . . . 199 M H . 51794 1 849 . 1 . 1 199 199 MET C C 13 175.859 0.003 . . . . . . . 199 M C . 51794 1 850 . 1 . 1 199 199 MET CA C 13 55.392 0.013 . . . . . . . 199 M CA . 51794 1 851 . 1 . 1 199 199 MET CB C 13 33.031 0.003 . . . . . . . 199 M CB . 51794 1 852 . 1 . 1 199 199 MET N N 15 122.216 0.024 . . . . . . . 199 M N . 51794 1 853 . 1 . 1 200 200 VAL H H 1 8.200 0.001 . . . . . . . 200 V H . 51794 1 854 . 1 . 1 200 200 VAL C C 13 175.824 0.003 . . . . . . . 200 V C . 51794 1 855 . 1 . 1 200 200 VAL CA C 13 62.255 0.046 . . . . . . . 200 V CA . 51794 1 856 . 1 . 1 200 200 VAL CB C 13 33.030 0.000 . . . . . . . 200 V CB . 51794 1 857 . 1 . 1 200 200 VAL N N 15 122.460 0.022 . . . . . . . 200 V N . 51794 1 858 . 1 . 1 201 201 LYS H H 1 8.384 0.001 . . . . . . . 201 K H . 51794 1 859 . 1 . 1 201 201 LYS C C 13 176.081 0.000 . . . . . . . 201 K C . 51794 1 860 . 1 . 1 201 201 LYS N N 15 125.585 0.004 . . . . . . . 201 K N . 51794 1 861 . 1 . 1 202 202 GLN H H 1 8.450 0.001 . . . . . . . 202 Q H . 51794 1 862 . 1 . 1 202 202 GLN C C 13 173.981 0.000 . . . . . . . 202 Q C . 51794 1 863 . 1 . 1 202 202 GLN CA C 13 53.593 0.000 . . . . . . . 202 Q CA . 51794 1 864 . 1 . 1 202 202 GLN CB C 13 28.961 0.000 . . . . . . . 202 Q CB . 51794 1 865 . 1 . 1 202 202 GLN N N 15 123.620 0.033 . . . . . . . 202 Q N . 51794 1 866 . 1 . 1 203 203 PRO C C 13 176.473 0.000 . . . . . . . 203 P C . 51794 1 867 . 1 . 1 203 203 PRO CA C 13 63.053 0.014 . . . . . . . 203 P CA . 51794 1 868 . 1 . 1 203 203 PRO CB C 13 32.143 0.000 . . . . . . . 203 P CB . 51794 1 869 . 1 . 1 204 204 CYS H H 1 8.329 0.001 . . . . . . . 204 C H . 51794 1 870 . 1 . 1 204 204 CYS C C 13 174.724 0.000 . . . . . . . 204 C C . 51794 1 871 . 1 . 1 204 204 CYS CA C 13 54.220 0.000 . . . . . . . 204 C CA . 51794 1 872 . 1 . 1 204 204 CYS CB C 13 32.386 0.000 . . . . . . . 204 C CB . 51794 1 873 . 1 . 1 204 204 CYS N N 15 122.878 0.006 . . . . . . . 204 C N . 51794 1 874 . 1 . 1 205 205 PRO C C 13 176.996 0.000 . . . . . . . 205 P C . 51794 1 875 . 1 . 1 205 205 PRO CA C 13 63.713 0.000 . . . . . . . 205 P CA . 51794 1 876 . 1 . 1 205 205 PRO CB C 13 32.115 0.000 . . . . . . . 205 P CB . 51794 1 877 . 1 . 1 206 206 SER H H 1 8.459 0.001 . . . . . . . 206 S H . 51794 1 878 . 1 . 1 206 206 SER C C 13 174.949 0.000 . . . . . . . 206 S C . 51794 1 879 . 1 . 1 206 206 SER CA C 13 58.599 0.038 . . . . . . . 206 S CA . 51794 1 880 . 1 . 1 206 206 SER CB C 13 63.966 0.043 . . . . . . . 206 S CB . 51794 1 881 . 1 . 1 206 206 SER N N 15 115.998 0.007 . . . . . . . 206 S N . 51794 1 882 . 1 . 1 207 207 GLU H H 1 8.477 0.002 . . . . . . . 207 E H . 51794 1 883 . 1 . 1 207 207 GLU C C 13 176.692 0.034 . . . . . . . 207 E C . 51794 1 884 . 1 . 1 207 207 GLU CA C 13 57.135 0.002 . . . . . . . 207 E CA . 51794 1 885 . 1 . 1 207 207 GLU CB C 13 30.141 0.000 . . . . . . . 207 E CB . 51794 1 886 . 1 . 1 207 207 GLU N N 15 122.815 0.031 . . . . . . . 207 E N . 51794 1 887 . 1 . 1 208 208 SER H H 1 8.205 0.001 . . . . . . . 208 S H . 51794 1 888 . 1 . 1 208 208 SER C C 13 174.275 0.006 . . . . . . . 208 S C . 51794 1 889 . 1 . 1 208 208 SER CA C 13 58.638 0.023 . . . . . . . 208 S CA . 51794 1 890 . 1 . 1 208 208 SER CB C 13 63.957 0.027 . . . . . . . 208 S CB . 51794 1 891 . 1 . 1 208 208 SER N N 15 115.456 0.055 . . . . . . . 208 S N . 51794 1 892 . 1 . 1 209 209 ASP H H 1 8.257 0.001 . . . . . . . 209 D H . 51794 1 893 . 1 . 1 209 209 ASP C C 13 176.033 0.005 . . . . . . . 209 D C . 51794 1 894 . 1 . 1 209 209 ASP CA C 13 54.608 0.008 . . . . . . . 209 D CA . 51794 1 895 . 1 . 1 209 209 ASP CB C 13 41.124 0.010 . . . . . . . 209 D CB . 51794 1 896 . 1 . 1 209 209 ASP N N 15 122.446 0.013 . . . . . . . 209 D N . 51794 1 897 . 1 . 1 210 210 ILE H H 1 7.963 0.001 . . . . . . . 210 I H . 51794 1 898 . 1 . 1 210 210 ILE C C 13 176.172 0.001 . . . . . . . 210 I C . 51794 1 899 . 1 . 1 210 210 ILE CA C 13 61.319 0.008 . . . . . . . 210 I CA . 51794 1 900 . 1 . 1 210 210 ILE CB C 13 38.628 0.014 . . . . . . . 210 I CB . 51794 1 901 . 1 . 1 210 210 ILE N N 15 120.502 0.003 . . . . . . . 210 I N . 51794 1 902 . 1 . 1 211 211 ILE H H 1 8.244 0.001 . . . . . . . 211 I H . 51794 1 903 . 1 . 1 211 211 ILE C C 13 176.526 0.001 . . . . . . . 211 I C . 51794 1 904 . 1 . 1 211 211 ILE CA C 13 61.046 0.050 . . . . . . . 211 I CA . 51794 1 905 . 1 . 1 211 211 ILE CB C 13 38.548 0.040 . . . . . . . 211 I CB . 51794 1 906 . 1 . 1 211 211 ILE N N 15 125.674 0.006 . . . . . . . 211 I N . 51794 1 907 . 1 . 1 212 212 THR H H 1 8.374 0.001 . . . . . . . 212 T H . 51794 1 908 . 1 . 1 212 212 THR C C 13 174.720 0.002 . . . . . . . 212 T C . 51794 1 909 . 1 . 1 212 212 THR CA C 13 61.840 0.026 . . . . . . . 212 T CA . 51794 1 910 . 1 . 1 212 212 THR CB C 13 70.154 0.022 . . . . . . . 212 T CB . 51794 1 911 . 1 . 1 212 212 THR N N 15 118.918 0.023 . . . . . . . 212 T N . 51794 1 912 . 1 . 1 213 213 GLU H H 1 8.480 0.002 . . . . . . . 213 E H . 51794 1 913 . 1 . 1 213 213 GLU C C 13 177.019 0.003 . . . . . . . 213 E C . 51794 1 914 . 1 . 1 213 213 GLU CA C 13 57.140 0.020 . . . . . . . 213 E CA . 51794 1 915 . 1 . 1 213 213 GLU CB C 13 30.204 0.000 . . . . . . . 213 E CB . 51794 1 916 . 1 . 1 213 213 GLU N N 15 122.991 0.030 . . . . . . . 213 E N . 51794 1 917 . 1 . 1 214 214 GLU H H 1 8.475 0.001 . . . . . . . 214 E H . 51794 1 918 . 1 . 1 214 214 GLU C C 13 176.712 0.000 . . . . . . . 214 E C . 51794 1 919 . 1 . 1 214 214 GLU CA C 13 57.291 0.058 . . . . . . . 214 E CA . 51794 1 920 . 1 . 1 214 214 GLU CB C 13 30.297 0.038 . . . . . . . 214 E CB . 51794 1 921 . 1 . 1 214 214 GLU N N 15 121.936 0.013 . . . . . . . 214 E N . 51794 1 922 . 1 . 1 215 215 ASP H H 1 8.328 0.001 . . . . . . . 215 D H . 51794 1 923 . 1 . 1 215 215 ASP C C 13 177.380 0.001 . . . . . . . 215 D C . 51794 1 924 . 1 . 1 215 215 ASP CA C 13 54.882 0.063 . . . . . . . 215 D CA . 51794 1 925 . 1 . 1 215 215 ASP CB C 13 41.076 0.051 . . . . . . . 215 D CB . 51794 1 926 . 1 . 1 215 215 ASP N N 15 121.514 0.030 . . . . . . . 215 D N . 51794 1 927 . 1 . 1 216 216 LYS H H 1 8.368 0.001 . . . . . . . 216 K H . 51794 1 928 . 1 . 1 216 216 LYS C C 13 177.592 0.001 . . . . . . . 216 K C . 51794 1 929 . 1 . 1 216 216 LYS CA C 13 57.522 0.025 . . . . . . . 216 K CA . 51794 1 930 . 1 . 1 216 216 LYS CB C 13 32.380 0.001 . . . . . . . 216 K CB . 51794 1 931 . 1 . 1 216 216 LYS N N 15 122.818 0.012 . . . . . . . 216 K N . 51794 1 932 . 1 . 1 217 217 SER H H 1 8.303 0.001 . . . . . . . 217 S H . 51794 1 933 . 1 . 1 217 217 SER C C 13 175.063 0.000 . . . . . . . 217 S C . 51794 1 934 . 1 . 1 217 217 SER CA C 13 59.655 0.010 . . . . . . . 217 S CA . 51794 1 935 . 1 . 1 217 217 SER CB C 13 63.678 0.011 . . . . . . . 217 S CB . 51794 1 936 . 1 . 1 217 217 SER N N 15 115.592 0.012 . . . . . . . 217 S N . 51794 1 937 . 1 . 1 218 218 LYS H H 1 7.925 0.001 . . . . . . . 218 K H . 51794 1 938 . 1 . 1 218 218 LYS C C 13 176.795 0.001 . . . . . . . 218 K C . 51794 1 939 . 1 . 1 218 218 LYS CA C 13 56.697 0.012 . . . . . . . 218 K CA . 51794 1 940 . 1 . 1 218 218 LYS CB C 13 32.766 0.016 . . . . . . . 218 K CB . 51794 1 941 . 1 . 1 218 218 LYS N N 15 122.245 0.008 . . . . . . . 218 K N . 51794 1 942 . 1 . 1 219 219 LYS H H 1 8.086 0.001 . . . . . . . 219 K H . 51794 1 943 . 1 . 1 219 219 LYS C C 13 176.753 0.001 . . . . . . . 219 K C . 51794 1 944 . 1 . 1 219 219 LYS CA C 13 56.516 0.044 . . . . . . . 219 K CA . 51794 1 945 . 1 . 1 219 219 LYS CB C 13 32.870 0.010 . . . . . . . 219 K CB . 51794 1 946 . 1 . 1 219 219 LYS N N 15 121.785 0.007 . . . . . . . 219 K N . 51794 1 947 . 1 . 1 220 220 LYS H H 1 8.304 0.000 . . . . . . . 220 K H . 51794 1 948 . 1 . 1 220 220 LYS C C 13 177.365 0.001 . . . . . . . 220 K C . 51794 1 949 . 1 . 1 220 220 LYS CA C 13 56.806 0.025 . . . . . . . 220 K CA . 51794 1 950 . 1 . 1 220 220 LYS CB C 13 32.903 0.056 . . . . . . . 220 K CB . 51794 1 951 . 1 . 1 220 220 LYS N N 15 122.706 0.012 . . . . . . . 220 K N . 51794 1 952 . 1 . 1 221 221 GLY H H 1 8.519 0.001 . . . . . . . 221 G H . 51794 1 953 . 1 . 1 221 221 GLY C C 13 174.360 0.004 . . . . . . . 221 G C . 51794 1 954 . 1 . 1 221 221 GLY CA C 13 45.406 0.006 . . . . . . . 221 G CA . 51794 1 955 . 1 . 1 221 221 GLY N N 15 110.397 0.019 . . . . . . . 221 G N . 51794 1 956 . 1 . 1 222 222 GLN H H 1 8.236 0.003 . . . . . . . 222 Q H . 51794 1 957 . 1 . 1 222 222 GLN C C 13 176.238 0.002 . . . . . . . 222 Q C . 51794 1 958 . 1 . 1 222 222 GLN CA C 13 55.911 0.035 . . . . . . . 222 Q CA . 51794 1 959 . 1 . 1 222 222 GLN CB C 13 29.391 0.040 . . . . . . . 222 Q CB . 51794 1 960 . 1 . 1 222 222 GLN N N 15 119.793 0.013 . . . . . . . 222 Q N . 51794 1 961 . 1 . 1 223 223 GLU H H 1 8.574 0.001 . . . . . . . 223 E H . 51794 1 962 . 1 . 1 223 223 GLU C C 13 176.661 0.009 . . . . . . . 223 E C . 51794 1 963 . 1 . 1 223 223 GLU CA C 13 56.995 0.000 . . . . . . . 223 E CA . 51794 1 964 . 1 . 1 223 223 GLU CB C 13 30.201 0.000 . . . . . . . 223 E CB . 51794 1 965 . 1 . 1 223 223 GLU N N 15 122.088 0.005 . . . . . . . 223 E N . 51794 1 966 . 1 . 1 224 224 GLU H H 1 8.447 0.003 . . . . . . . 224 E H . 51794 1 967 . 1 . 1 224 224 GLU C C 13 176.494 0.000 . . . . . . . 224 E C . 51794 1 968 . 1 . 1 224 224 GLU N N 15 122.188 0.001 . . . . . . . 224 E N . 51794 1 969 . 1 . 1 228 228 LYS C C 13 176.646 0.000 . . . . . . . 228 K C . 51794 1 970 . 1 . 1 228 228 LYS CA C 13 56.321 0.000 . . . . . . . 228 K CA . 51794 1 971 . 1 . 1 228 228 LYS CB C 13 33.099 0.000 . . . . . . . 228 K CB . 51794 1 972 . 1 . 1 229 229 LYS H H 1 8.355 0.002 . . . . . . . 229 K H . 51794 1 973 . 1 . 1 229 229 LYS C C 13 176.261 0.004 . . . . . . . 229 K C . 51794 1 974 . 1 . 1 229 229 LYS CA C 13 56.152 0.005 . . . . . . . 229 K CA . 51794 1 975 . 1 . 1 229 229 LYS CB C 13 33.129 0.011 . . . . . . . 229 K CB . 51794 1 976 . 1 . 1 229 229 LYS N N 15 123.248 0.022 . . . . . . . 229 K N . 51794 1 977 . 1 . 1 230 230 GLN H H 1 8.486 0.002 . . . . . . . 230 Q H . 51794 1 978 . 1 . 1 230 230 GLN C C 13 173.942 0.000 . . . . . . . 230 Q C . 51794 1 979 . 1 . 1 230 230 GLN CA C 13 53.545 0.000 . . . . . . . 230 Q CA . 51794 1 980 . 1 . 1 230 230 GLN CB C 13 29.102 0.000 . . . . . . . 230 Q CB . 51794 1 981 . 1 . 1 230 230 GLN N N 15 123.482 0.031 . . . . . . . 230 Q N . 51794 1 982 . 1 . 1 231 231 PRO C C 13 176.832 0.000 . . . . . . . 231 P C . 51794 1 983 . 1 . 1 231 231 PRO CA C 13 63.100 0.000 . . . . . . . 231 P CA . 51794 1 984 . 1 . 1 231 231 PRO CB C 13 32.199 0.037 . . . . . . . 231 P CB . 51794 1 985 . 1 . 1 232 232 LYS H H 1 8.430 0.003 . . . . . . . 232 K H . 51794 1 986 . 1 . 1 232 232 LYS C C 13 176.675 0.000 . . . . . . . 232 K C . 51794 1 987 . 1 . 1 232 232 LYS CA C 13 56.197 0.000 . . . . . . . 232 K CA . 51794 1 988 . 1 . 1 232 232 LYS CB C 13 33.105 0.050 . . . . . . . 232 K CB . 51794 1 989 . 1 . 1 232 232 LYS N N 15 122.044 0.063 . . . . . . . 232 K N . 51794 1 990 . 1 . 1 233 233 LYS H H 1 8.452 0.001 . . . . . . . 233 K H . 51794 1 991 . 1 . 1 233 233 LYS C C 13 176.395 0.001 . . . . . . . 233 K C . 51794 1 992 . 1 . 1 233 233 LYS CA C 13 56.572 0.004 . . . . . . . 233 K CA . 51794 1 993 . 1 . 1 233 233 LYS CB C 13 33.066 0.060 . . . . . . . 233 K CB . 51794 1 994 . 1 . 1 233 233 LYS N N 15 123.589 0.040 . . . . . . . 233 K N . 51794 1 995 . 1 . 1 234 234 ASP H H 1 8.429 0.001 . . . . . . . 234 D H . 51794 1 996 . 1 . 1 234 234 ASP C C 13 176.346 0.008 . . . . . . . 234 D C . 51794 1 997 . 1 . 1 234 234 ASP CA C 13 53.477 0.014 . . . . . . . 234 D CA . 51794 1 998 . 1 . 1 234 234 ASP CB C 13 41.034 0.010 . . . . . . . 234 D CB . 51794 1 999 . 1 . 1 234 234 ASP N N 15 121.720 0.045 . . . . . . . 234 D N . 51794 1 1000 . 1 . 1 235 235 GLU H H 1 8.353 0.002 . . . . . . . 235 E H . 51794 1 1001 . 1 . 1 235 235 GLU C C 13 176.771 0.007 . . . . . . . 235 E C . 51794 1 1002 . 1 . 1 235 235 GLU CA C 13 56.775 0.000 . . . . . . . 235 E CA . 51794 1 1003 . 1 . 1 235 235 GLU N N 15 120.892 0.026 . . . . . . . 235 E N . 51794 1 1004 . 1 . 1 236 236 GLU H H 1 8.412 0.002 . . . . . . . 236 E H . 51794 1 1005 . 1 . 1 236 236 GLU C C 13 177.250 0.000 . . . . . . . 236 E C . 51794 1 1006 . 1 . 1 236 236 GLU CA C 13 57.052 0.058 . . . . . . . 236 E CA . 51794 1 1007 . 1 . 1 236 236 GLU CB C 13 30.306 0.010 . . . . . . . 236 E CB . 51794 1 1008 . 1 . 1 236 236 GLU N N 15 121.701 0.015 . . . . . . . 236 E N . 51794 1 1009 . 1 . 1 237 237 GLY H H 1 8.421 0.002 . . . . . . . 237 G H . 51794 1 1010 . 1 . 1 237 237 GLY C C 13 174.139 0.002 . . . . . . . 237 G C . 51794 1 1011 . 1 . 1 237 237 GLY CA C 13 45.386 0.007 . . . . . . . 237 G CA . 51794 1 1012 . 1 . 1 237 237 GLY N N 15 109.755 0.008 . . . . . . . 237 G N . 51794 1 1013 . 1 . 1 238 238 GLN H H 1 8.215 0.001 . . . . . . . 238 Q H . 51794 1 1014 . 1 . 1 238 238 GLN C C 13 176.054 0.001 . . . . . . . 238 Q C . 51794 1 1015 . 1 . 1 238 238 GLN CA C 13 55.809 0.003 . . . . . . . 238 Q CA . 51794 1 1016 . 1 . 1 238 238 GLN CB C 13 29.520 0.017 . . . . . . . 238 Q CB . 51794 1 1017 . 1 . 1 238 238 GLN N N 15 119.974 0.010 . . . . . . . 238 Q N . 51794 1 1018 . 1 . 1 239 239 LYS H H 1 8.452 0.001 . . . . . . . 239 K H . 51794 1 1019 . 1 . 1 239 239 LYS C C 13 176.824 0.000 . . . . . . . 239 K C . 51794 1 1020 . 1 . 1 239 239 LYS CA C 13 56.263 0.021 . . . . . . . 239 K CA . 51794 1 1021 . 1 . 1 239 239 LYS CB C 13 33.125 0.009 . . . . . . . 239 K CB . 51794 1 1022 . 1 . 1 239 239 LYS N N 15 123.168 0.009 . . . . . . . 239 K N . 51794 1 1023 . 1 . 1 240 240 GLU H H 1 8.560 0.001 . . . . . . . 240 E H . 51794 1 1024 . 1 . 1 240 240 GLU C C 13 176.842 0.005 . . . . . . . 240 E C . 51794 1 1025 . 1 . 1 240 240 GLU CA C 13 57.014 0.012 . . . . . . . 240 E CA . 51794 1 1026 . 1 . 1 240 240 GLU CB C 13 30.233 0.015 . . . . . . . 240 E CB . 51794 1 1027 . 1 . 1 240 240 GLU N N 15 122.983 0.007 . . . . . . . 240 E N . 51794 1 1028 . 1 . 1 241 241 GLU H H 1 8.604 0.001 . . . . . . . 241 E H . 51794 1 1029 . 1 . 1 241 241 GLU C C 13 176.174 0.006 . . . . . . . 241 E C . 51794 1 1030 . 1 . 1 241 241 GLU CA C 13 56.902 0.000 . . . . . . . 241 E CA . 51794 1 1031 . 1 . 1 241 241 GLU CB C 13 30.314 0.000 . . . . . . . 241 E CB . 51794 1 1032 . 1 . 1 241 241 GLU N N 15 121.453 0.003 . . . . . . . 241 E N . 51794 1 1033 . 1 . 1 242 242 ASP H H 1 8.330 0.001 . . . . . . . 242 D H . 51794 1 1034 . 1 . 1 242 242 ASP C C 13 175.842 0.008 . . . . . . . 242 D C . 51794 1 1035 . 1 . 1 242 242 ASP CA C 13 54.421 0.000 . . . . . . . 242 D CA . 51794 1 1036 . 1 . 1 242 242 ASP CB C 13 41.181 0.009 . . . . . . . 242 D CB . 51794 1 1037 . 1 . 1 242 242 ASP N N 15 121.474 0.014 . . . . . . . 242 D N . 51794 1 1038 . 1 . 1 243 243 LYS H H 1 8.022 0.001 . . . . . . . 243 K H . 51794 1 1039 . 1 . 1 243 243 LYS C C 13 174.336 0.000 . . . . . . . 243 K C . 51794 1 1040 . 1 . 1 243 243 LYS CA C 13 54.359 0.000 . . . . . . . 243 K CA . 51794 1 1041 . 1 . 1 243 243 LYS CB C 13 32.483 0.000 . . . . . . . 243 K CB . 51794 1 1042 . 1 . 1 243 243 LYS N N 15 122.369 0.007 . . . . . . . 243 K N . 51794 1 1043 . 1 . 1 244 244 PRO C C 13 176.887 0.000 . . . . . . . 244 P C . 51794 1 1044 . 1 . 1 244 244 PRO CA C 13 63.216 0.033 . . . . . . . 244 P CA . 51794 1 1045 . 1 . 1 244 244 PRO CB C 13 32.088 0.000 . . . . . . . 244 P CB . 51794 1 1046 . 1 . 1 245 245 ARG H H 1 8.454 0.001 . . . . . . . 245 R H . 51794 1 1047 . 1 . 1 245 245 ARG C C 13 176.179 0.003 . . . . . . . 245 R C . 51794 1 1048 . 1 . 1 245 245 ARG CA C 13 55.929 0.007 . . . . . . . 245 R CA . 51794 1 1049 . 1 . 1 245 245 ARG CB C 13 30.945 0.000 . . . . . . . 245 R CB . 51794 1 1050 . 1 . 1 245 245 ARG N N 15 122.001 0.004 . . . . . . . 245 R N . 51794 1 1051 . 1 . 1 246 246 LYS H H 1 8.368 0.001 . . . . . . . 246 K H . 51794 1 1052 . 1 . 1 246 246 LYS C C 13 176.223 0.009 . . . . . . . 246 K C . 51794 1 1053 . 1 . 1 246 246 LYS CA C 13 56.010 0.012 . . . . . . . 246 K CA . 51794 1 1054 . 1 . 1 246 246 LYS CB C 13 33.234 0.004 . . . . . . . 246 K CB . 51794 1 1055 . 1 . 1 246 246 LYS N N 15 123.413 0.018 . . . . . . . 246 K N . 51794 1 1056 . 1 . 1 247 247 GLU H H 1 8.520 0.001 . . . . . . . 247 E H . 51794 1 1057 . 1 . 1 247 247 GLU C C 13 174.546 0.000 . . . . . . . 247 E C . 51794 1 1058 . 1 . 1 247 247 GLU CA C 13 54.430 0.000 . . . . . . . 247 E CA . 51794 1 1059 . 1 . 1 247 247 GLU CB C 13 29.630 0.000 . . . . . . . 247 E CB . 51794 1 1060 . 1 . 1 247 247 GLU N N 15 124.356 0.014 . . . . . . . 247 E N . 51794 1 1061 . 1 . 1 248 248 PRO C C 13 176.589 0.000 . . . . . . . 248 P C . 51794 1 1062 . 1 . 1 248 248 PRO CA C 13 63.204 0.027 . . . . . . . 248 P CA . 51794 1 1063 . 1 . 1 248 248 PRO CB C 13 32.093 0.062 . . . . . . . 248 P CB . 51794 1 1064 . 1 . 1 249 249 ASP H H 1 8.440 0.001 . . . . . . . 249 D H . 51794 1 1065 . 1 . 1 249 249 ASP C C 13 177.489 0.000 . . . . . . . 249 D C . 51794 1 1066 . 1 . 1 249 249 ASP CA C 13 54.471 0.014 . . . . . . . 249 D CA . 51794 1 1067 . 1 . 1 249 249 ASP CB C 13 41.231 0.036 . . . . . . . 249 D CB . 51794 1 1068 . 1 . 1 249 249 ASP N N 15 120.791 0.022 . . . . . . . 249 D N . 51794 1 1069 . 1 . 1 250 250 LYS H H 1 8.278 0.003 . . . . . . . 250 K H . 51794 1 1070 . 1 . 1 250 250 LYS C C 13 176.600 0.014 . . . . . . . 250 K C . 51794 1 1071 . 1 . 1 250 250 LYS CA C 13 56.443 0.000 . . . . . . . 250 K CA . 51794 1 1072 . 1 . 1 250 250 LYS CB C 13 32.942 0.000 . . . . . . . 250 K CB . 51794 1 1073 . 1 . 1 250 250 LYS N N 15 122.202 0.032 . . . . . . . 250 K N . 51794 1 1074 . 1 . 1 251 251 LYS H H 1 8.424 0.001 . . . . . . . 251 K H . 51794 1 1075 . 1 . 1 251 251 LYS C C 13 176.709 0.004 . . . . . . . 251 K C . 51794 1 1076 . 1 . 1 251 251 LYS CA C 13 56.535 0.000 . . . . . . . 251 K CA . 51794 1 1077 . 1 . 1 251 251 LYS CB C 13 32.838 0.000 . . . . . . . 251 K CB . 51794 1 1078 . 1 . 1 251 251 LYS N N 15 122.732 0.012 . . . . . . . 251 K N . 51794 1 1079 . 1 . 1 252 252 GLU H H 1 8.434 0.002 . . . . . . . 252 E H . 51794 1 1080 . 1 . 1 252 252 GLU C C 13 176.969 0.000 . . . . . . . 252 E C . 51794 1 1081 . 1 . 1 252 252 GLU CA C 13 56.788 0.000 . . . . . . . 252 E CA . 51794 1 1082 . 1 . 1 252 252 GLU CB C 13 30.422 0.000 . . . . . . . 252 E CB . 51794 1 1083 . 1 . 1 252 252 GLU N N 15 122.000 0.005 . . . . . . . 252 E N . 51794 1 1084 . 1 . 1 253 253 GLY H H 1 8.440 0.001 . . . . . . . 253 G H . 51794 1 1085 . 1 . 1 253 253 GLY C C 13 174.048 0.005 . . . . . . . 253 G C . 51794 1 1086 . 1 . 1 253 253 GLY CA C 13 45.264 0.013 . . . . . . . 253 G CA . 51794 1 1087 . 1 . 1 253 253 GLY N N 15 110.248 0.031 . . . . . . . 253 G N . 51794 1 1088 . 1 . 1 254 254 LYS H H 1 8.189 0.002 . . . . . . . 254 K H . 51794 1 1089 . 1 . 1 254 254 LYS C C 13 176.776 0.006 . . . . . . . 254 K C . 51794 1 1090 . 1 . 1 254 254 LYS CA C 13 56.470 0.000 . . . . . . . 254 K CA . 51794 1 1091 . 1 . 1 254 254 LYS CB C 13 33.085 0.000 . . . . . . . 254 K CB . 51794 1 1092 . 1 . 1 254 254 LYS N N 15 121.235 0.008 . . . . . . . 254 K N . 51794 1 1093 . 1 . 1 255 255 LYS H H 1 8.410 0.001 . . . . . . . 255 K H . 51794 1 1094 . 1 . 1 255 255 LYS C C 13 176.817 0.006 . . . . . . . 255 K C . 51794 1 1095 . 1 . 1 255 255 LYS CA C 13 56.620 0.065 . . . . . . . 255 K CA . 51794 1 1096 . 1 . 1 255 255 LYS CB C 13 33.008 0.034 . . . . . . . 255 K CB . 51794 1 1097 . 1 . 1 255 255 LYS N N 15 123.063 0.011 . . . . . . . 255 K N . 51794 1 1098 . 1 . 1 256 256 GLU H H 1 8.478 0.001 . . . . . . . 256 E H . 51794 1 1099 . 1 . 1 256 256 GLU C C 13 176.757 0.001 . . . . . . . 256 E C . 51794 1 1100 . 1 . 1 256 256 GLU CA C 13 56.882 0.010 . . . . . . . 256 E CA . 51794 1 1101 . 1 . 1 256 256 GLU CB C 13 30.180 0.010 . . . . . . . 256 E CB . 51794 1 1102 . 1 . 1 256 256 GLU N N 15 122.750 0.032 . . . . . . . 256 E N . 51794 1 1103 . 1 . 1 257 257 VAL H H 1 8.210 0.001 . . . . . . . 257 V H . 51794 1 1104 . 1 . 1 257 257 VAL C C 13 176.576 0.007 . . . . . . . 257 V C . 51794 1 1105 . 1 . 1 257 257 VAL CA C 13 62.806 0.014 . . . . . . . 257 V CA . 51794 1 1106 . 1 . 1 257 257 VAL CB C 13 32.659 0.054 . . . . . . . 257 V CB . 51794 1 1107 . 1 . 1 257 257 VAL N N 15 121.041 0.013 . . . . . . . 257 V N . 51794 1 1108 . 1 . 1 258 258 GLU H H 1 8.473 0.001 . . . . . . . 258 E H . 51794 1 1109 . 1 . 1 258 258 GLU C C 13 176.907 0.002 . . . . . . . 258 E C . 51794 1 1110 . 1 . 1 258 258 GLU CA C 13 57.085 0.011 . . . . . . . 258 E CA . 51794 1 1111 . 1 . 1 258 258 GLU CB C 13 30.211 0.009 . . . . . . . 258 E CB . 51794 1 1112 . 1 . 1 258 258 GLU N N 15 124.368 0.009 . . . . . . . 258 E N . 51794 1 1113 . 1 . 1 259 259 SER H H 1 8.364 0.002 . . . . . . . 259 S H . 51794 1 1114 . 1 . 1 259 259 SER C C 13 174.972 0.000 . . . . . . . 259 S C . 51794 1 1115 . 1 . 1 259 259 SER CA C 13 58.901 0.007 . . . . . . . 259 S CA . 51794 1 1116 . 1 . 1 259 259 SER CB C 13 63.697 0.011 . . . . . . . 259 S CB . 51794 1 1117 . 1 . 1 259 259 SER N N 15 117.120 0.008 . . . . . . . 259 S N . 51794 1 1118 . 1 . 1 260 260 LYS H H 1 8.272 0.002 . . . . . . . 260 K H . 51794 1 1119 . 1 . 1 260 260 LYS C C 13 176.868 0.000 . . . . . . . 260 K C . 51794 1 1120 . 1 . 1 260 260 LYS CA C 13 56.805 0.000 . . . . . . . 260 K CA . 51794 1 1121 . 1 . 1 260 260 LYS CB C 13 32.751 0.000 . . . . . . . 260 K CB . 51794 1 1122 . 1 . 1 260 260 LYS N N 15 123.081 0.039 . . . . . . . 260 K N . 51794 1 1123 . 1 . 1 261 261 ARG H H 1 8.192 0.004 . . . . . . . 261 R H . 51794 1 1124 . 1 . 1 261 261 ARG C C 13 176.585 0.000 . . . . . . . 261 R C . 51794 1 1125 . 1 . 1 261 261 ARG CA C 13 56.700 0.000 . . . . . . . 261 R CA . 51794 1 1126 . 1 . 1 261 261 ARG CB C 13 30.495 0.000 . . . . . . . 261 R CB . 51794 1 1127 . 1 . 1 261 261 ARG N N 15 121.440 0.007 . . . . . . . 261 R N . 51794 1 1128 . 1 . 1 263 263 ASN C C 13 175.272 0.000 . . . . . . . 263 N C . 51794 1 1129 . 1 . 1 263 263 ASN CA C 13 53.328 0.000 . . . . . . . 263 N CA . 51794 1 1130 . 1 . 1 263 263 ASN CB C 13 38.665 0.000 . . . . . . . 263 N CB . 51794 1 1131 . 1 . 1 264 264 LEU H H 1 8.200 0.002 . . . . . . . 264 L H . 51794 1 1132 . 1 . 1 264 264 LEU C C 13 177.232 0.000 . . . . . . . 264 L C . 51794 1 1133 . 1 . 1 264 264 LEU CA C 13 55.342 0.042 . . . . . . . 264 L CA . 51794 1 1134 . 1 . 1 264 264 LEU CB C 13 42.281 0.007 . . . . . . . 264 L CB . 51794 1 1135 . 1 . 1 264 264 LEU N N 15 122.924 0.016 . . . . . . . 264 L N . 51794 1 1136 . 1 . 1 265 265 ALA H H 1 8.192 0.001 . . . . . . . 265 A H . 51794 1 1137 . 1 . 1 265 265 ALA C C 13 177.833 0.001 . . . . . . . 265 A C . 51794 1 1138 . 1 . 1 265 265 ALA CA C 13 52.683 0.015 . . . . . . . 265 A CA . 51794 1 1139 . 1 . 1 265 265 ALA CB C 13 19.150 0.021 . . . . . . . 265 A CB . 51794 1 1140 . 1 . 1 265 265 ALA N N 15 124.314 0.026 . . . . . . . 265 A N . 51794 1 1141 . 1 . 1 266 266 LYS H H 1 8.248 0.001 . . . . . . . 266 K H . 51794 1 1142 . 1 . 1 266 266 LYS C C 13 176.853 0.002 . . . . . . . 266 K C . 51794 1 1143 . 1 . 1 266 266 LYS CA C 13 56.410 0.012 . . . . . . . 266 K CA . 51794 1 1144 . 1 . 1 266 266 LYS CB C 13 32.912 0.013 . . . . . . . 266 K CB . 51794 1 1145 . 1 . 1 266 266 LYS N N 15 120.505 0.019 . . . . . . . 266 K N . 51794 1 1146 . 1 . 1 267 267 THR H H 1 8.105 0.001 . . . . . . . 267 T H . 51794 1 1147 . 1 . 1 267 267 THR C C 13 175.102 0.008 . . . . . . . 267 T C . 51794 1 1148 . 1 . 1 267 267 THR CA C 13 61.974 0.026 . . . . . . . 267 T CA . 51794 1 1149 . 1 . 1 267 267 THR CB C 13 70.035 0.025 . . . . . . . 267 T CB . 51794 1 1150 . 1 . 1 267 267 THR N N 15 114.442 0.016 . . . . . . . 267 T N . 51794 1 1151 . 1 . 1 268 268 GLY H H 1 8.424 0.002 . . . . . . . 268 G H . 51794 1 1152 . 1 . 1 268 268 GLY C C 13 174.078 0.003 . . . . . . . 268 G C . 51794 1 1153 . 1 . 1 268 268 GLY CA C 13 45.328 0.006 . . . . . . . 268 G CA . 51794 1 1154 . 1 . 1 268 268 GLY N N 15 111.187 0.006 . . . . . . . 268 G N . 51794 1 1155 . 1 . 1 269 269 VAL H H 1 8.015 0.001 . . . . . . . 269 V H . 51794 1 1156 . 1 . 1 269 269 VAL C C 13 176.550 0.002 . . . . . . . 269 V C . 51794 1 1157 . 1 . 1 269 269 VAL CA C 13 62.357 0.008 . . . . . . . 269 V CA . 51794 1 1158 . 1 . 1 269 269 VAL CB C 13 32.800 0.022 . . . . . . . 269 V CB . 51794 1 1159 . 1 . 1 269 269 VAL N N 15 119.224 0.009 . . . . . . . 269 V N . 51794 1 1160 . 1 . 1 270 270 THR H H 1 8.323 0.001 . . . . . . . 270 T H . 51794 1 1161 . 1 . 1 270 270 THR C C 13 174.528 0.003 . . . . . . . 270 T C . 51794 1 1162 . 1 . 1 270 270 THR CA C 13 61.864 0.020 . . . . . . . 270 T CA . 51794 1 1163 . 1 . 1 270 270 THR CB C 13 69.970 0.022 . . . . . . . 270 T CB . 51794 1 1164 . 1 . 1 270 270 THR N N 15 117.981 0.006 . . . . . . . 270 T N . 51794 1 1165 . 1 . 1 271 271 SER H H 1 8.405 0.002 . . . . . . . 271 S H . 51794 1 1166 . 1 . 1 271 271 SER C C 13 174.800 0.000 . . . . . . . 271 S C . 51794 1 1167 . 1 . 1 271 271 SER CA C 13 58.266 0.043 . . . . . . . 271 S CA . 51794 1 1168 . 1 . 1 271 271 SER CB C 13 63.990 0.039 . . . . . . . 271 S CB . 51794 1 1169 . 1 . 1 271 271 SER N N 15 118.523 0.018 . . . . . . . 271 S N . 51794 1 1170 . 1 . 1 272 272 THR H H 1 8.305 0.001 . . . . . . . 272 T H . 51794 1 1171 . 1 . 1 272 272 THR C C 13 174.777 0.016 . . . . . . . 272 T C . 51794 1 1172 . 1 . 1 272 272 THR CA C 13 61.877 0.063 . . . . . . . 272 T CA . 51794 1 1173 . 1 . 1 272 272 THR CB C 13 69.858 0.001 . . . . . . . 272 T CB . 51794 1 1174 . 1 . 1 272 272 THR N N 15 115.625 0.012 . . . . . . . 272 T N . 51794 1 1175 . 1 . 1 273 273 SER H H 1 8.351 0.002 . . . . . . . 273 S H . 51794 1 1176 . 1 . 1 273 273 SER C C 13 174.384 0.000 . . . . . . . 273 S C . 51794 1 1177 . 1 . 1 273 273 SER CA C 13 58.487 0.026 . . . . . . . 273 S CA . 51794 1 1178 . 1 . 1 273 273 SER CB C 13 64.001 0.013 . . . . . . . 273 S CB . 51794 1 1179 . 1 . 1 273 273 SER N N 15 117.761 0.011 . . . . . . . 273 S N . 51794 1 1180 . 1 . 1 274 274 ASP H H 1 8.387 0.001 . . . . . . . 274 D H . 51794 1 1181 . 1 . 1 274 274 ASP C C 13 176.324 0.005 . . . . . . . 274 D C . 51794 1 1182 . 1 . 1 274 274 ASP CA C 13 54.628 0.010 . . . . . . . 274 D CA . 51794 1 1183 . 1 . 1 274 274 ASP CB C 13 41.238 0.027 . . . . . . . 274 D CB . 51794 1 1184 . 1 . 1 274 274 ASP N N 15 122.591 0.013 . . . . . . . 274 D N . 51794 1 1185 . 1 . 1 275 275 SER H H 1 8.214 0.001 . . . . . . . 275 S H . 51794 1 1186 . 1 . 1 275 275 SER C C 13 174.693 0.007 . . . . . . . 275 S C . 51794 1 1187 . 1 . 1 275 275 SER CA C 13 58.562 0.014 . . . . . . . 275 S CA . 51794 1 1188 . 1 . 1 275 275 SER CB C 13 64.007 0.001 . . . . . . . 275 S CB . 51794 1 1189 . 1 . 1 275 275 SER N N 15 115.586 0.013 . . . . . . . 275 S N . 51794 1 1190 . 1 . 1 276 276 GLU H H 1 8.447 0.001 . . . . . . . 276 E H . 51794 1 1191 . 1 . 1 276 276 GLU C C 13 176.555 0.004 . . . . . . . 276 E C . 51794 1 1192 . 1 . 1 276 276 GLU CB C 13 30.312 0.014 . . . . . . . 276 E CB . 51794 1 1193 . 1 . 1 276 276 GLU N N 15 122.775 0.017 . . . . . . . 276 E N . 51794 1 1194 . 1 . 1 277 277 GLU H H 1 8.360 0.002 . . . . . . . 277 E H . 51794 1 1195 . 1 . 1 277 277 GLU C C 13 176.527 0.003 . . . . . . . 277 E C . 51794 1 1196 . 1 . 1 277 277 GLU CA C 13 56.677 0.070 . . . . . . . 277 E CA . 51794 1 1197 . 1 . 1 277 277 GLU CB C 13 30.372 0.041 . . . . . . . 277 E CB . 51794 1 1198 . 1 . 1 277 277 GLU N N 15 121.486 0.003 . . . . . . . 277 E N . 51794 1 1199 . 1 . 1 278 278 GLU H H 1 8.450 0.001 . . . . . . . 278 E H . 51794 1 1200 . 1 . 1 278 278 GLU C C 13 176.978 0.002 . . . . . . . 278 E C . 51794 1 1201 . 1 . 1 278 278 GLU CA C 13 56.844 0.011 . . . . . . . 278 E CA . 51794 1 1202 . 1 . 1 278 278 GLU CB C 13 30.502 0.013 . . . . . . . 278 E CB . 51794 1 1203 . 1 . 1 278 278 GLU N N 15 122.169 0.027 . . . . . . . 278 E N . 51794 1 1204 . 1 . 1 279 279 GLY H H 1 8.408 0.001 . . . . . . . 279 G H . 51794 1 1205 . 1 . 1 279 279 GLY C C 13 173.847 0.002 . . . . . . . 279 G C . 51794 1 1206 . 1 . 1 279 279 GLY CA C 13 45.258 0.004 . . . . . . . 279 G CA . 51794 1 1207 . 1 . 1 279 279 GLY N N 15 109.904 0.011 . . . . . . . 279 G N . 51794 1 1208 . 1 . 1 280 280 ASP H H 1 8.302 0.001 . . . . . . . 280 D H . 51794 1 1209 . 1 . 1 280 280 ASP C C 13 176.258 0.000 . . . . . . . 280 D C . 51794 1 1210 . 1 . 1 280 280 ASP CA C 13 54.379 0.006 . . . . . . . 280 D CA . 51794 1 1211 . 1 . 1 280 280 ASP CB C 13 41.535 0.021 . . . . . . . 280 D CB . 51794 1 1212 . 1 . 1 280 280 ASP N N 15 120.538 0.008 . . . . . . . 280 D N . 51794 1 1213 . 1 . 1 281 281 ASP H H 1 8.437 0.002 . . . . . . . 281 D H . 51794 1 1214 . 1 . 1 281 281 ASP C C 13 176.637 0.048 . . . . . . . 281 D C . 51794 1 1215 . 1 . 1 281 281 ASP CA C 13 54.440 0.013 . . . . . . . 281 D CA . 51794 1 1216 . 1 . 1 281 281 ASP CB C 13 41.076 0.002 . . . . . . . 281 D CB . 51794 1 1217 . 1 . 1 281 281 ASP N N 15 120.809 0.009 . . . . . . . 281 D N . 51794 1 1218 . 1 . 1 282 282 GLN H H 1 8.423 0.001 . . . . . . . 282 Q H . 51794 1 1219 . 1 . 1 282 282 GLN C C 13 176.687 0.000 . . . . . . . 282 Q C . 51794 1 1220 . 1 . 1 282 282 GLN CA C 13 56.649 0.032 . . . . . . . 282 Q CA . 51794 1 1221 . 1 . 1 282 282 GLN CB C 13 29.212 0.014 . . . . . . . 282 Q CB . 51794 1 1222 . 1 . 1 282 282 GLN N N 15 120.302 0.012 . . . . . . . 282 Q N . 51794 1 1223 . 1 . 1 283 283 GLU H H 1 8.433 0.001 . . . . . . . 283 E H . 51794 1 1224 . 1 . 1 283 283 GLU C C 13 177.513 0.002 . . . . . . . 283 E C . 51794 1 1225 . 1 . 1 283 283 GLU CA C 13 57.274 0.011 . . . . . . . 283 E CA . 51794 1 1226 . 1 . 1 283 283 GLU CB C 13 29.986 0.020 . . . . . . . 283 E CB . 51794 1 1227 . 1 . 1 283 283 GLU N N 15 120.757 0.020 . . . . . . . 283 E N . 51794 1 1228 . 1 . 1 284 284 GLY H H 1 8.359 0.001 . . . . . . . 284 G H . 51794 1 1229 . 1 . 1 284 284 GLY C C 13 174.942 0.004 . . . . . . . 284 G C . 51794 1 1230 . 1 . 1 284 284 GLY CA C 13 45.965 0.007 . . . . . . . 284 G CA . 51794 1 1231 . 1 . 1 284 284 GLY N N 15 109.368 0.007 . . . . . . . 284 G N . 51794 1 1232 . 1 . 1 285 285 GLU H H 1 8.310 0.001 . . . . . . . 285 E H . 51794 1 1233 . 1 . 1 285 285 GLU C C 13 177.343 0.000 . . . . . . . 285 E C . 51794 1 1234 . 1 . 1 285 285 GLU CA C 13 57.421 0.001 . . . . . . . 285 E CA . 51794 1 1235 . 1 . 1 285 285 GLU CB C 13 30.019 0.049 . . . . . . . 285 E CB . 51794 1 1236 . 1 . 1 285 285 GLU N N 15 121.110 0.018 . . . . . . . 285 E N . 51794 1 1237 . 1 . 1 286 286 LYS H H 1 8.244 0.004 . . . . . . . 286 K H . 51794 1 1238 . 1 . 1 286 286 LYS C C 13 177.390 0.000 . . . . . . . 286 K C . 51794 1 1239 . 1 . 1 286 286 LYS CA C 13 57.337 0.008 . . . . . . . 286 K CA . 51794 1 1240 . 1 . 1 286 286 LYS CB C 13 32.531 0.010 . . . . . . . 286 K CB . 51794 1 1241 . 1 . 1 286 286 LYS N N 15 120.715 0.091 . . . . . . . 286 K N . 51794 1 1242 . 1 . 1 287 287 LYS H H 1 8.093 0.001 . . . . . . . 287 K H . 51794 1 1243 . 1 . 1 287 287 LYS C C 13 177.049 0.003 . . . . . . . 287 K C . 51794 1 1244 . 1 . 1 287 287 LYS CA C 13 56.948 0.000 . . . . . . . 287 K CA . 51794 1 1245 . 1 . 1 287 287 LYS CB C 13 32.755 0.027 . . . . . . . 287 K CB . 51794 1 1246 . 1 . 1 287 287 LYS N N 15 120.678 0.018 . . . . . . . 287 K N . 51794 1 1247 . 1 . 1 288 288 ARG H H 1 8.176 0.002 . . . . . . . 288 R H . 51794 1 1248 . 1 . 1 288 288 ARG C C 13 176.734 0.000 . . . . . . . 288 R C . 51794 1 1249 . 1 . 1 288 288 ARG CA C 13 56.667 0.000 . . . . . . . 288 R CA . 51794 1 1250 . 1 . 1 288 288 ARG CB C 13 30.452 0.000 . . . . . . . 288 R CB . 51794 1 1251 . 1 . 1 288 288 ARG N N 15 121.382 0.042 . . . . . . . 288 R N . 51794 1 1252 . 1 . 1 289 289 LYS H H 1 8.333 0.002 . . . . . . . 289 K H . 51794 1 1253 . 1 . 1 289 289 LYS C C 13 177.236 0.001 . . . . . . . 289 K C . 51794 1 1254 . 1 . 1 289 289 LYS CA C 13 56.915 0.000 . . . . . . . 289 K CA . 51794 1 1255 . 1 . 1 289 289 LYS CB C 13 32.879 0.000 . . . . . . . 289 K CB . 51794 1 1256 . 1 . 1 289 289 LYS N N 15 122.215 0.014 . . . . . . . 289 K N . 51794 1 1257 . 1 . 1 290 290 GLY H H 1 8.346 0.002 . . . . . . . 290 G H . 51794 1 1258 . 1 . 1 290 290 GLY C C 13 174.689 0.007 . . . . . . . 290 G C . 51794 1 1259 . 1 . 1 290 290 GLY CA C 13 45.368 0.005 . . . . . . . 290 G CA . 51794 1 1260 . 1 . 1 290 290 GLY N N 15 109.769 0.017 . . . . . . . 290 G N . 51794 1 1261 . 1 . 1 291 291 GLY H H 1 8.261 0.002 . . . . . . . 291 G H . 51794 1 1262 . 1 . 1 291 291 GLY C C 13 174.339 0.007 . . . . . . . 291 G C . 51794 1 1263 . 1 . 1 291 291 GLY CA C 13 45.328 0.013 . . . . . . . 291 G CA . 51794 1 1264 . 1 . 1 291 291 GLY N N 15 108.592 0.005 . . . . . . . 291 G N . 51794 1 1265 . 1 . 1 292 292 ARG H H 1 8.281 0.003 . . . . . . . 292 R H . 51794 1 1266 . 1 . 1 292 292 ARG C C 13 176.171 0.030 . . . . . . . 292 R C . 51794 1 1267 . 1 . 1 292 292 ARG CA C 13 56.374 0.000 . . . . . . . 292 R CA . 51794 1 1268 . 1 . 1 292 292 ARG CB C 13 30.706 0.000 . . . . . . . 292 R CB . 51794 1 1269 . 1 . 1 292 292 ARG N N 15 120.465 0.017 . . . . . . . 292 R N . 51794 1 1270 . 1 . 1 293 293 ASN H H 1 8.284 0.000 . . . . . . . 293 N H . 51794 1 1271 . 1 . 1 293 293 ASN C C 13 175.030 0.000 . . . . . . . 293 N C . 51794 1 1272 . 1 . 1 293 293 ASN CA C 13 53.304 0.000 . . . . . . . 293 N CA . 51794 1 1273 . 1 . 1 293 293 ASN CB C 13 38.714 0.000 . . . . . . . 293 N CB . 51794 1 1274 . 1 . 1 293 293 ASN N N 15 123.462 0.000 . . . . . . . 293 N N . 51794 1 1275 . 1 . 1 294 294 PHE H H 1 8.167 0.000 . . . . . . . 294 F H . 51794 1 1276 . 1 . 1 294 294 PHE C C 13 175.804 0.002 . . . . . . . 294 F C . 51794 1 1277 . 1 . 1 294 294 PHE CA C 13 58.245 0.007 . . . . . . . 294 F CA . 51794 1 1278 . 1 . 1 294 294 PHE CB C 13 39.448 0.012 . . . . . . . 294 F CB . 51794 1 1279 . 1 . 1 294 294 PHE N N 15 120.796 0.012 . . . . . . . 294 F N . 51794 1 1280 . 1 . 1 295 295 GLN H H 1 8.321 0.000 . . . . . . . 295 Q H . 51794 1 1281 . 1 . 1 295 295 GLN C C 13 176.210 0.000 . . . . . . . 295 Q C . 51794 1 1282 . 1 . 1 295 295 GLN CA C 13 56.186 0.000 . . . . . . . 295 Q CA . 51794 1 1283 . 1 . 1 295 295 GLN CB C 13 29.410 0.000 . . . . . . . 295 Q CB . 51794 1 1284 . 1 . 1 295 295 GLN N N 15 121.450 0.008 . . . . . . . 295 Q N . 51794 1 1285 . 1 . 1 296 296 THR H H 1 8.097 0.001 . . . . . . . 296 T H . 51794 1 1286 . 1 . 1 296 296 THR C C 13 174.616 0.000 . . . . . . . 296 T C . 51794 1 1287 . 1 . 1 296 296 THR CA C 13 62.378 0.000 . . . . . . . 296 T CA . 51794 1 1288 . 1 . 1 296 296 THR CB C 13 69.826 0.020 . . . . . . . 296 T CB . 51794 1 1289 . 1 . 1 296 296 THR N N 15 114.917 0.038 . . . . . . . 296 T N . 51794 1 1290 . 1 . 1 297 297 ALA H H 1 8.288 0.000 . . . . . . . 297 A H . 51794 1 1291 . 1 . 1 297 297 ALA C C 13 177.769 0.003 . . . . . . . 297 A C . 51794 1 1292 . 1 . 1 297 297 ALA CA C 13 53.076 0.038 . . . . . . . 297 A CA . 51794 1 1293 . 1 . 1 297 297 ALA CB C 13 19.005 0.035 . . . . . . . 297 A CB . 51794 1 1294 . 1 . 1 297 297 ALA N N 15 125.772 0.013 . . . . . . . 297 A N . 51794 1 1295 . 1 . 1 298 298 HIS H H 1 8.181 0.004 . . . . . . . 298 H H . 51794 1 1296 . 1 . 1 298 298 HIS N N 15 118.529 0.019 . . . . . . . 298 H N . 51794 1 1297 . 1 . 1 301 301 ASN C C 13 175.585 0.000 . . . . . . . 301 N C . 51794 1 1298 . 1 . 1 301 301 ASN CA C 13 53.629 0.000 . . . . . . . 301 N CA . 51794 1 1299 . 1 . 1 301 301 ASN CB C 13 38.535 0.000 . . . . . . . 301 N CB . 51794 1 1300 . 1 . 1 302 302 MET H H 1 8.249 0.002 . . . . . . . 302 M H . 51794 1 1301 . 1 . 1 302 302 MET C C 13 176.514 0.001 . . . . . . . 302 M C . 51794 1 1302 . 1 . 1 302 302 MET CA C 13 55.943 0.005 . . . . . . . 302 M CA . 51794 1 1303 . 1 . 1 302 302 MET CB C 13 32.712 0.000 . . . . . . . 302 M CB . 51794 1 1304 . 1 . 1 302 302 MET N N 15 120.778 0.025 . . . . . . . 302 M N . 51794 1 1305 . 1 . 1 303 303 LEU H H 1 8.162 0.001 . . . . . . . 303 L H . 51794 1 1306 . 1 . 1 303 303 LEU C C 13 177.490 0.007 . . . . . . . 303 L C . 51794 1 1307 . 1 . 1 303 303 LEU CA C 13 55.526 0.007 . . . . . . . 303 L CA . 51794 1 1308 . 1 . 1 303 303 LEU CB C 13 42.147 0.017 . . . . . . . 303 L CB . 51794 1 1309 . 1 . 1 303 303 LEU N N 15 122.481 0.006 . . . . . . . 303 L N . 51794 1 1310 . 1 . 1 304 304 LYS H H 1 8.199 0.001 . . . . . . . 304 K H . 51794 1 1311 . 1 . 1 304 304 LYS C C 13 177.411 0.002 . . . . . . . 304 K C . 51794 1 1312 . 1 . 1 304 304 LYS CA C 13 57.049 0.000 . . . . . . . 304 K CA . 51794 1 1313 . 1 . 1 304 304 LYS CB C 13 32.920 0.000 . . . . . . . 304 K CB . 51794 1 1314 . 1 . 1 304 304 LYS N N 15 121.738 0.008 . . . . . . . 304 K N . 51794 1 1315 . 1 . 1 305 305 GLY H H 1 8.492 0.001 . . . . . . . 305 G H . 51794 1 1316 . 1 . 1 305 305 GLY CA C 13 45.581 0.000 . . . . . . . 305 G CA . 51794 1 1317 . 1 . 1 305 305 GLY N N 15 109.751 0.019 . . . . . . . 305 G N . 51794 1 1318 . 1 . 1 308 308 GLU C C 13 176.420 0.000 . . . . . . . 308 E C . 51794 1 1319 . 1 . 1 308 308 GLU CA C 13 57.811 0.011 . . . . . . . 308 E CA . 51794 1 1320 . 1 . 1 308 308 GLU CB C 13 29.860 0.011 . . . . . . . 308 E CB . 51794 1 1321 . 1 . 1 309 309 LYS H H 1 8.279 0.002 . . . . . . . 309 K H . 51794 1 1322 . 1 . 1 309 309 LYS C C 13 177.464 0.025 . . . . . . . 309 K C . 51794 1 1323 . 1 . 1 309 309 LYS CA C 13 57.754 0.000 . . . . . . . 309 K CA . 51794 1 1324 . 1 . 1 309 309 LYS CB C 13 32.762 0.012 . . . . . . . 309 K CB . 51794 1 1325 . 1 . 1 309 309 LYS N N 15 122.178 0.031 . . . . . . . 309 K N . 51794 1 1326 . 1 . 1 310 310 GLU H H 1 8.340 0.001 . . . . . . . 310 E H . 51794 1 1327 . 1 . 1 310 310 GLU C C 13 177.477 0.028 . . . . . . . 310 E C . 51794 1 1328 . 1 . 1 310 310 GLU CA C 13 57.747 0.016 . . . . . . . 310 E CA . 51794 1 1329 . 1 . 1 310 310 GLU CB C 13 29.875 0.018 . . . . . . . 310 E CB . 51794 1 1330 . 1 . 1 310 310 GLU N N 15 120.774 0.005 . . . . . . . 310 E N . 51794 1 1331 . 1 . 1 311 311 ALA H H 1 8.195 0.001 . . . . . . . 311 A H . 51794 1 1332 . 1 . 1 311 311 ALA C C 13 178.858 0.007 . . . . . . . 311 A C . 51794 1 1333 . 1 . 1 311 311 ALA CA C 13 53.633 0.004 . . . . . . . 311 A CA . 51794 1 1334 . 1 . 1 311 311 ALA CB C 13 18.786 0.043 . . . . . . . 311 A CB . 51794 1 1335 . 1 . 1 311 311 ALA N N 15 123.792 0.014 . . . . . . . 311 A N . 51794 1 1336 . 1 . 1 312 312 ALA H H 1 8.176 0.001 . . . . . . . 312 A H . 51794 1 1337 . 1 . 1 312 312 ALA C C 13 178.926 0.007 . . . . . . . 312 A C . 51794 1 1338 . 1 . 1 312 312 ALA CA C 13 53.852 0.014 . . . . . . . 312 A CA . 51794 1 1339 . 1 . 1 312 312 ALA CB C 13 18.739 0.012 . . . . . . . 312 A CB . 51794 1 1340 . 1 . 1 312 312 ALA N N 15 122.621 0.013 . . . . . . . 312 A N . 51794 1 1341 . 1 . 1 313 313 ASP H H 1 8.272 0.001 . . . . . . . 313 D H . 51794 1 1342 . 1 . 1 313 313 ASP C C 13 177.292 0.003 . . . . . . . 313 D C . 51794 1 1343 . 1 . 1 313 313 ASP CA C 13 55.525 0.013 . . . . . . . 313 D CA . 51794 1 1344 . 1 . 1 313 313 ASP CB C 13 40.871 0.013 . . . . . . . 313 D CB . 51794 1 1345 . 1 . 1 313 313 ASP N N 15 119.179 0.008 . . . . . . . 313 D N . 51794 1 1346 . 1 . 1 314 314 ARG H H 1 8.042 0.001 . . . . . . . 314 R H . 51794 1 1347 . 1 . 1 314 314 ARG C C 13 177.400 0.007 . . . . . . . 314 R C . 51794 1 1348 . 1 . 1 314 314 ARG CA C 13 57.627 0.049 . . . . . . . 314 R CA . 51794 1 1349 . 1 . 1 314 314 ARG CB C 13 30.393 0.004 . . . . . . . 314 R CB . 51794 1 1350 . 1 . 1 314 314 ARG N N 15 120.602 0.003 . . . . . . . 314 R N . 51794 1 1351 . 1 . 1 315 315 LYS H H 1 8.079 0.002 . . . . . . . 315 K H . 51794 1 1352 . 1 . 1 315 315 LYS C C 13 177.379 0.003 . . . . . . . 315 K C . 51794 1 1353 . 1 . 1 315 315 LYS CA C 13 57.549 0.033 . . . . . . . 315 K CA . 51794 1 1354 . 1 . 1 315 315 LYS CB C 13 32.619 0.007 . . . . . . . 315 K CB . 51794 1 1355 . 1 . 1 315 315 LYS N N 15 121.000 0.018 . . . . . . . 315 K N . 51794 1 1356 . 1 . 1 316 316 ARG H H 1 8.106 0.005 . . . . . . . 316 R H . 51794 1 1357 . 1 . 1 316 316 ARG C C 13 177.282 0.003 . . . . . . . 316 R C . 51794 1 1358 . 1 . 1 316 316 ARG CA C 13 57.318 0.030 . . . . . . . 316 R CA . 51794 1 1359 . 1 . 1 316 316 ARG CB C 13 30.482 0.007 . . . . . . . 316 R CB . 51794 1 1360 . 1 . 1 316 316 ARG N N 15 120.979 0.036 . . . . . . . 316 R N . 51794 1 1361 . 1 . 1 317 317 LYS H H 1 8.224 0.003 . . . . . . . 317 K H . 51794 1 1362 . 1 . 1 317 317 LYS C C 13 177.548 0.008 . . . . . . . 317 K C . 51794 1 1363 . 1 . 1 317 317 LYS CB C 13 32.709 0.056 . . . . . . . 317 K CB . 51794 1 1364 . 1 . 1 317 317 LYS N N 15 121.397 0.015 . . . . . . . 317 K N . 51794 1 1365 . 1 . 1 318 318 GLN H H 1 8.286 0.002 . . . . . . . 318 Q H . 51794 1 1366 . 1 . 1 318 318 GLN C C 13 176.982 0.006 . . . . . . . 318 Q C . 51794 1 1367 . 1 . 1 318 318 GLN CA C 13 57.142 0.000 . . . . . . . 318 Q CA . 51794 1 1368 . 1 . 1 318 318 GLN CB C 13 29.000 0.018 . . . . . . . 318 Q CB . 51794 1 1369 . 1 . 1 318 318 GLN N N 15 120.783 0.003 . . . . . . . 318 Q N . 51794 1 1370 . 1 . 1 319 319 GLU H H 1 8.388 0.001 . . . . . . . 319 E H . 51794 1 1371 . 1 . 1 319 319 GLU C C 13 177.363 0.004 . . . . . . . 319 E C . 51794 1 1372 . 1 . 1 319 319 GLU CA C 13 57.505 0.010 . . . . . . . 319 E CA . 51794 1 1373 . 1 . 1 319 319 GLU CB C 13 29.996 0.022 . . . . . . . 319 E CB . 51794 1 1374 . 1 . 1 319 319 GLU N N 15 120.896 0.015 . . . . . . . 319 E N . 51794 1 1375 . 1 . 1 320 320 GLU H H 1 8.294 0.001 . . . . . . . 320 E H . 51794 1 1376 . 1 . 1 320 320 GLU C C 13 177.022 0.006 . . . . . . . 320 E C . 51794 1 1377 . 1 . 1 320 320 GLU CA C 13 57.299 0.009 . . . . . . . 320 E CA . 51794 1 1378 . 1 . 1 320 320 GLU CB C 13 30.166 0.027 . . . . . . . 320 E CB . 51794 1 1379 . 1 . 1 320 320 GLU N N 15 120.791 0.004 . . . . . . . 320 E N . 51794 1 1380 . 1 . 1 321 321 GLN H H 1 8.228 0.001 . . . . . . . 321 Q H . 51794 1 1381 . 1 . 1 321 321 GLN C C 13 176.254 0.001 . . . . . . . 321 Q C . 51794 1 1382 . 1 . 1 321 321 GLN CA C 13 56.279 0.022 . . . . . . . 321 Q CA . 51794 1 1383 . 1 . 1 321 321 GLN CB C 13 29.174 0.018 . . . . . . . 321 Q CB . 51794 1 1384 . 1 . 1 321 321 GLN N N 15 120.307 0.009 . . . . . . . 321 Q N . 51794 1 1385 . 1 . 1 322 322 MET H H 1 8.274 0.001 . . . . . . . 322 M H . 51794 1 1386 . 1 . 1 322 322 MET C C 13 176.557 0.002 . . . . . . . 322 M C . 51794 1 1387 . 1 . 1 322 322 MET CA C 13 56.002 0.035 . . . . . . . 322 M CA . 51794 1 1388 . 1 . 1 322 322 MET CB C 13 33.066 0.000 . . . . . . . 322 M CB . 51794 1 1389 . 1 . 1 322 322 MET N N 15 120.987 0.006 . . . . . . . 322 M N . 51794 1 1390 . 1 . 1 323 323 GLU H H 1 8.422 0.002 . . . . . . . 323 E H . 51794 1 1391 . 1 . 1 323 323 GLU C C 13 176.949 0.006 . . . . . . . 323 E C . 51794 1 1392 . 1 . 1 323 323 GLU CA C 13 56.989 0.042 . . . . . . . 323 E CA . 51794 1 1393 . 1 . 1 323 323 GLU CB C 13 30.197 0.025 . . . . . . . 323 E CB . 51794 1 1394 . 1 . 1 323 323 GLU N N 15 121.881 0.008 . . . . . . . 323 E N . 51794 1 1395 . 1 . 1 324 324 THR H H 1 8.143 0.001 . . . . . . . 324 T H . 51794 1 1396 . 1 . 1 324 324 THR C C 13 174.841 0.004 . . . . . . . 324 T C . 51794 1 1397 . 1 . 1 324 324 THR CA C 13 62.354 0.010 . . . . . . . 324 T CA . 51794 1 1398 . 1 . 1 324 324 THR CB C 13 69.888 0.022 . . . . . . . 324 T CB . 51794 1 1399 . 1 . 1 324 324 THR N N 15 114.777 0.008 . . . . . . . 324 T N . 51794 1 1400 . 1 . 1 325 325 GLU H H 1 8.385 0.001 . . . . . . . 325 E H . 51794 1 1401 . 1 . 1 325 325 GLU C C 13 176.430 0.005 . . . . . . . 325 E C . 51794 1 1402 . 1 . 1 325 325 GLU CA C 13 57.001 0.006 . . . . . . . 325 E CA . 51794 1 1403 . 1 . 1 325 325 GLU CB C 13 30.181 0.004 . . . . . . . 325 E CB . 51794 1 1404 . 1 . 1 325 325 GLU N N 15 122.831 0.022 . . . . . . . 325 E N . 51794 1 1405 . 1 . 1 326 326 HIS H H 1 8.328 0.002 . . . . . . . 326 H H . 51794 1 1406 . 1 . 1 326 326 HIS C C 13 175.255 0.000 . . . . . . . 326 H C . 51794 1 1407 . 1 . 1 326 326 HIS CA C 13 56.196 0.000 . . . . . . . 326 H CA . 51794 1 1408 . 1 . 1 326 326 HIS CB C 13 30.348 0.000 . . . . . . . 326 H CB . 51794 1 1409 . 1 . 1 326 326 HIS N N 15 120.173 0.020 . . . . . . . 326 H N . 51794 1 1410 . 1 . 1 327 327 GLN C C 13 176.239 0.000 . . . . . . . 327 Q C . 51794 1 1411 . 1 . 1 327 327 GLN CA C 13 56.040 0.000 . . . . . . . 327 Q CA . 51794 1 1412 . 1 . 1 327 327 GLN CB C 13 29.461 0.000 . . . . . . . 327 Q CB . 51794 1 1413 . 1 . 1 328 328 THR H H 1 8.329 0.001 . . . . . . . 328 T H . 51794 1 1414 . 1 . 1 328 328 THR C C 13 174.877 0.001 . . . . . . . 328 T C . 51794 1 1415 . 1 . 1 328 328 THR CA C 13 62.178 0.006 . . . . . . . 328 T CA . 51794 1 1416 . 1 . 1 328 328 THR CB C 13 69.892 0.014 . . . . . . . 328 T CB . 51794 1 1417 . 1 . 1 328 328 THR N N 15 115.541 0.022 . . . . . . . 328 T N . 51794 1 1418 . 1 . 1 329 329 THR H H 1 8.199 0.001 . . . . . . . 329 T H . 51794 1 1419 . 1 . 1 329 329 THR CB C 13 69.905 0.030 . . . . . . . 329 T CB . 51794 1 1420 . 1 . 1 329 329 THR N N 15 116.074 0.035 . . . . . . . 329 T N . 51794 1 1421 . 1 . 1 330 330 CYS H H 1 8.357 0.006 . . . . . . . 330 C H . 51794 1 1422 . 1 . 1 330 330 CYS N N 15 121.528 0.040 . . . . . . . 330 C N . 51794 1 1423 . 1 . 1 331 331 ASN C C 13 174.863 0.002 . . . . . . . 331 N C . 51794 1 1424 . 1 . 1 331 331 ASN CA C 13 53.373 0.012 . . . . . . . 331 N CA . 51794 1 1425 . 1 . 1 331 331 ASN CB C 13 38.779 0.004 . . . . . . . 331 N CB . 51794 1 1426 . 1 . 1 332 332 LEU H H 1 8.220 0.001 . . . . . . . 332 L H . 51794 1 1427 . 1 . 1 332 332 LEU C C 13 176.433 0.002 . . . . . . . 332 L C . 51794 1 1428 . 1 . 1 332 332 LEU CA C 13 55.460 0.009 . . . . . . . 332 L CA . 51794 1 1429 . 1 . 1 332 332 LEU CB C 13 42.310 0.008 . . . . . . . 332 L CB . 51794 1 1430 . 1 . 1 332 332 LEU N N 15 123.088 0.008 . . . . . . . 332 L N . 51794 1 1431 . 1 . 1 333 333 GLN H H 1 7.902 0.001 . . . . . . . 333 Q H . 51794 1 1432 . 1 . 1 333 333 GLN C C 13 176.435 0.000 . . . . . . . 333 Q C . 51794 1 1433 . 1 . 1 333 333 GLN CA C 13 57.377 0.000 . . . . . . . 333 Q CA . 51794 1 1434 . 1 . 1 333 333 GLN CB C 13 30.495 0.000 . . . . . . . 333 Q CB . 51794 1 1435 . 1 . 1 333 333 GLN N N 15 125.729 0.002 . . . . . . . 333 Q N . 51794 1 stop_ save_