data_27469 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27469 _Entry.Title ; 1H, 15N, 13C backbone resonance assignments of pentaerythritol tetranitrate reductase from Enterobacter cloacae PB2 in complex with 1,4,5,6-tetrahydro-NADP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-05-02 _Entry.Accession_date 2018-05-02 _Entry.Last_release_date 2018-05-02 _Entry.Original_release_date 2018-05-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Andreea Iorgu . I. . . 27469 2 Nicola Baxter . J. . . 27469 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27469 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Manchester' . 27469 2 . 'University of Sheffield' . 27469 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27469 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1033 27469 '15N chemical shifts' 335 27469 '1H chemical shifts' 335 27469 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 . . 2019-05-22 . original BMRB . 27469 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27224 ; 1H, 15N, 13C backbone resonance assignments of pentaerythritol tetranitrate reductase from Enterobacter cloacae PB2 in complex with oxidised flavin mononucleotide ; 27469 BMRB 27470 ; 1H, 15N, 13C backbone resonance assignments of pentaerythritol tetranitrate reductase from Enterobacter cloacae PB2 in complex with 1,4,5,6-tetrahydro-NAD ; 27469 PDB 3P62 'WILD-TYPE PENTAERYTHRITOL TETRANITRATE REDUCTASE CONTAINING A C-TERMINAL 8-HISTIDINE TAG FROM ENTEROBACTER CLOACAE' 27469 PDB 5LGX 'STRUCTURE OF OXIDISED PENTAERYTHRITOL TETRANITRATE REDUCTASE FROM ENTEROBACTER CLOACAE' 27469 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27469 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acscatal.8b02810 _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Catal.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 11589 _Citation.Page_last 11599 _Citation.Year 2018 _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 Andreea Iorgu . I. . . 27469 1 2 Nicola Baxter . J. . . 27469 1 3 Matthew Cliff . J. . . 27469 1 4 Colin Levy . J. . . 27469 1 5 Jonathan Waltho . P. . . 27469 1 6 Sam Hay . . . . 27469 1 7 Nigel Scrutton . S. . . 27469 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 1,4,5,6-tetrahydro-NADP 27469 1 'Flavin mononucleotide' 27469 1 Flavoenzyme 27469 1 'Pentaerythritol tetranitrate reductase' 27469 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27469 _Assembly.ID 1 _Assembly.Name PETNR:FMNox:NADPH4 _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 40561.89 _Assembly.Enzyme_commission_number 1.6.99.1 _Assembly.Details ; oxidoreductase. The FMN cofactor is oxidised in the PETNR:FMNox complex. Enzyme cofactor in reduction oxidation reactions. NADPH/NADP+ is a reducing/oxidising agent. NADPH4 is a unreactive analogue of NADPH. The related compound is tetrahydro-NAD (NADH4) in PubChem: https://pubchem.ncbi.nlm.nih.gov/compound/169266 The difference is the 2'-phosphate group on the ribose ring of the adenosine group. ; _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 PETNR 1 $PETNR A . yes native no no . enzyme . 27469 1 2 FMN 2 $entity_FMN B . no native no no . cofactor 'The FMN cofactor is oxidised in the PETNR:FMNox complex' 27469 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3KFT . . X-ray 2.1 'crystal form of PETNR:FMNox:NADH4 complex' . 27469 1 yes PDB 3P62 . . X-ray 1.4 'crystal form of PETNR:FMNox complex' . 27469 1 yes PDB 5LGX . . X-ray 1.5 'crystal form of PETNR:FMNox complex' . 27469 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PETNR _Entity.Sf_category entity _Entity.Sf_framecode PETNR _Entity.Entry_ID 27469 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PETNR _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 ; SAEKLFTPLKVGAVTAPNRV FMAPLTRLRSIEPGDIPTPL MGEYYRQRASAGLIISEATQ ISAQAKGYAGAPGLHSPEQI AAWKKITAGVHAEDGRIAVQ LWHTGRISHSSIQPGGQAPV SASALNANTRTSLRDENGNA IRVDTTTPRALELDEIPGIV NDFRQAVANAREAGFDLVEL HSAHGYLLHQFLSPSSNQRT DQYGGSVENRARLVLEVVDA VCNEWSADRIGIRVSPIGTF QNVDNGPNEEADALYLIEEL AKRGIAYLHMSETDLAGGKP YSEAFRQKVRERFHGVIIGA GAYTAEKAEDLIGKGLIDAV AFGRDYIANPDLVARLQKKA ELNPQRPESFYGGGAEGYTD YPSL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq S1-A2-E3-K4-...-L364 _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 364 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 1.6.99.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 39358.13 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Recombinant PETNR is expressed and purified as a tight non-covalently bound PETNR:FMNox complex' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes PDB 5LGX . 'pentaerythritol tetranitrate reductase (PETNR)' . . . . . . . . . . . . . . 27469 1 . yes PDB 3P62 . 'pentaerythritol tetranitrate reductase (PETNR)' . . . . . . . . . . . . . . 27469 1 . yes BMRB 27224 . 'pentaerythritol tetranitrate reductase (PETNR)' . . . . . . . . . . . . . . 27469 1 . yes PDB 3KFT . 'pentaerythritol tetranitrate reductase (PETNR) in complex with 1,4,5,6-tetrahydro-nicotinamide-adenine-dinucleotide' . . . . . . . . . . . . . . 27469 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID oxidoreductase 27469 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 27469 1 2 . ALA . 27469 1 3 . GLU . 27469 1 4 . LYS . 27469 1 5 . LEU . 27469 1 6 . PHE . 27469 1 7 . THR . 27469 1 8 . PRO . 27469 1 9 . LEU . 27469 1 10 . LYS . 27469 1 11 . VAL . 27469 1 12 . GLY . 27469 1 13 . ALA . 27469 1 14 . VAL . 27469 1 15 . THR . 27469 1 16 . ALA . 27469 1 17 . PRO . 27469 1 18 . ASN . 27469 1 19 . ARG . 27469 1 20 . VAL . 27469 1 21 . PHE . 27469 1 22 . MET . 27469 1 23 . ALA . 27469 1 24 . PRO . 27469 1 25 . LEU . 27469 1 26 . THR . 27469 1 27 . ARG . 27469 1 28 . LEU . 27469 1 29 . ARG . 27469 1 30 . SER . 27469 1 31 . ILE . 27469 1 32 . GLU . 27469 1 33 . PRO . 27469 1 34 . GLY . 27469 1 35 . ASP . 27469 1 36 . ILE . 27469 1 37 . PRO . 27469 1 38 . THR . 27469 1 39 . PRO . 27469 1 40 . LEU . 27469 1 41 . MET . 27469 1 42 . GLY . 27469 1 43 . GLU . 27469 1 44 . TYR . 27469 1 45 . TYR . 27469 1 46 . ARG . 27469 1 47 . GLN . 27469 1 48 . ARG . 27469 1 49 . ALA . 27469 1 50 . SER . 27469 1 51 . ALA . 27469 1 52 . GLY . 27469 1 53 . LEU . 27469 1 54 . ILE . 27469 1 55 . ILE . 27469 1 56 . SER . 27469 1 57 . GLU . 27469 1 58 . ALA . 27469 1 59 . THR . 27469 1 60 . GLN . 27469 1 61 . ILE . 27469 1 62 . SER . 27469 1 63 . ALA . 27469 1 64 . GLN . 27469 1 65 . ALA . 27469 1 66 . LYS . 27469 1 67 . GLY . 27469 1 68 . TYR . 27469 1 69 . ALA . 27469 1 70 . GLY . 27469 1 71 . ALA . 27469 1 72 . PRO . 27469 1 73 . GLY . 27469 1 74 . LEU . 27469 1 75 . HIS . 27469 1 76 . SER . 27469 1 77 . PRO . 27469 1 78 . GLU . 27469 1 79 . GLN . 27469 1 80 . ILE . 27469 1 81 . ALA . 27469 1 82 . ALA . 27469 1 83 . TRP . 27469 1 84 . LYS . 27469 1 85 . LYS . 27469 1 86 . ILE . 27469 1 87 . THR . 27469 1 88 . ALA . 27469 1 89 . GLY . 27469 1 90 . VAL . 27469 1 91 . HIS . 27469 1 92 . ALA . 27469 1 93 . GLU . 27469 1 94 . ASP . 27469 1 95 . GLY . 27469 1 96 . ARG . 27469 1 97 . ILE . 27469 1 98 . ALA . 27469 1 99 . VAL . 27469 1 100 . GLN . 27469 1 101 . LEU . 27469 1 102 . TRP . 27469 1 103 . HIS . 27469 1 104 . THR . 27469 1 105 . GLY . 27469 1 106 . ARG . 27469 1 107 . ILE . 27469 1 108 . SER . 27469 1 109 . HIS . 27469 1 110 . SER . 27469 1 111 . SER . 27469 1 112 . ILE . 27469 1 113 . GLN . 27469 1 114 . PRO . 27469 1 115 . GLY . 27469 1 116 . GLY . 27469 1 117 . GLN . 27469 1 118 . ALA . 27469 1 119 . PRO . 27469 1 120 . VAL . 27469 1 121 . SER . 27469 1 122 . ALA . 27469 1 123 . SER . 27469 1 124 . ALA . 27469 1 125 . LEU . 27469 1 126 . ASN . 27469 1 127 . ALA . 27469 1 128 . ASN . 27469 1 129 . THR . 27469 1 130 . ARG . 27469 1 131 . THR . 27469 1 132 . SER . 27469 1 133 . LEU . 27469 1 134 . ARG . 27469 1 135 . ASP . 27469 1 136 . GLU . 27469 1 137 . ASN . 27469 1 138 . GLY . 27469 1 139 . ASN . 27469 1 140 . ALA . 27469 1 141 . ILE . 27469 1 142 . ARG . 27469 1 143 . VAL . 27469 1 144 . ASP . 27469 1 145 . THR . 27469 1 146 . THR . 27469 1 147 . THR . 27469 1 148 . PRO . 27469 1 149 . ARG . 27469 1 150 . ALA . 27469 1 151 . LEU . 27469 1 152 . GLU . 27469 1 153 . LEU . 27469 1 154 . ASP . 27469 1 155 . GLU . 27469 1 156 . ILE . 27469 1 157 . PRO . 27469 1 158 . GLY . 27469 1 159 . ILE . 27469 1 160 . VAL . 27469 1 161 . ASN . 27469 1 162 . ASP . 27469 1 163 . PHE . 27469 1 164 . ARG . 27469 1 165 . GLN . 27469 1 166 . ALA . 27469 1 167 . VAL . 27469 1 168 . ALA . 27469 1 169 . ASN . 27469 1 170 . ALA . 27469 1 171 . ARG . 27469 1 172 . GLU . 27469 1 173 . ALA . 27469 1 174 . GLY . 27469 1 175 . PHE . 27469 1 176 . ASP . 27469 1 177 . LEU . 27469 1 178 . VAL . 27469 1 179 . GLU . 27469 1 180 . LEU . 27469 1 181 . HIS . 27469 1 182 . SER . 27469 1 183 . ALA . 27469 1 184 . HIS . 27469 1 185 . GLY . 27469 1 186 . TYR . 27469 1 187 . LEU . 27469 1 188 . LEU . 27469 1 189 . HIS . 27469 1 190 . GLN . 27469 1 191 . PHE . 27469 1 192 . LEU . 27469 1 193 . SER . 27469 1 194 . PRO . 27469 1 195 . SER . 27469 1 196 . SER . 27469 1 197 . ASN . 27469 1 198 . GLN . 27469 1 199 . ARG . 27469 1 200 . THR . 27469 1 201 . ASP . 27469 1 202 . GLN . 27469 1 203 . TYR . 27469 1 204 . GLY . 27469 1 205 . GLY . 27469 1 206 . SER . 27469 1 207 . VAL . 27469 1 208 . GLU . 27469 1 209 . ASN . 27469 1 210 . ARG . 27469 1 211 . ALA . 27469 1 212 . ARG . 27469 1 213 . LEU . 27469 1 214 . VAL . 27469 1 215 . LEU . 27469 1 216 . GLU . 27469 1 217 . VAL . 27469 1 218 . VAL . 27469 1 219 . ASP . 27469 1 220 . ALA . 27469 1 221 . VAL . 27469 1 222 . CYS . 27469 1 223 . ASN . 27469 1 224 . GLU . 27469 1 225 . TRP . 27469 1 226 . SER . 27469 1 227 . ALA . 27469 1 228 . ASP . 27469 1 229 . ARG . 27469 1 230 . ILE . 27469 1 231 . GLY . 27469 1 232 . ILE . 27469 1 233 . ARG . 27469 1 234 . VAL . 27469 1 235 . SER . 27469 1 236 . PRO . 27469 1 237 . ILE . 27469 1 238 . GLY . 27469 1 239 . THR . 27469 1 240 . PHE . 27469 1 241 . GLN . 27469 1 242 . ASN . 27469 1 243 . VAL . 27469 1 244 . ASP . 27469 1 245 . ASN . 27469 1 246 . GLY . 27469 1 247 . PRO . 27469 1 248 . ASN . 27469 1 249 . GLU . 27469 1 250 . GLU . 27469 1 251 . ALA . 27469 1 252 . ASP . 27469 1 253 . ALA . 27469 1 254 . LEU . 27469 1 255 . TYR . 27469 1 256 . LEU . 27469 1 257 . ILE . 27469 1 258 . GLU . 27469 1 259 . GLU . 27469 1 260 . LEU . 27469 1 261 . ALA . 27469 1 262 . LYS . 27469 1 263 . ARG . 27469 1 264 . GLY . 27469 1 265 . ILE . 27469 1 266 . ALA . 27469 1 267 . TYR . 27469 1 268 . LEU . 27469 1 269 . HIS . 27469 1 270 . MET . 27469 1 271 . SER . 27469 1 272 . GLU . 27469 1 273 . THR . 27469 1 274 . ASP . 27469 1 275 . LEU . 27469 1 276 . ALA . 27469 1 277 . GLY . 27469 1 278 . GLY . 27469 1 279 . LYS . 27469 1 280 . PRO . 27469 1 281 . TYR . 27469 1 282 . SER . 27469 1 283 . GLU . 27469 1 284 . ALA . 27469 1 285 . PHE . 27469 1 286 . ARG . 27469 1 287 . GLN . 27469 1 288 . LYS . 27469 1 289 . VAL . 27469 1 290 . ARG . 27469 1 291 . GLU . 27469 1 292 . ARG . 27469 1 293 . PHE . 27469 1 294 . HIS . 27469 1 295 . GLY . 27469 1 296 . VAL . 27469 1 297 . ILE . 27469 1 298 . ILE . 27469 1 299 . GLY . 27469 1 300 . ALA . 27469 1 301 . GLY . 27469 1 302 . ALA . 27469 1 303 . TYR . 27469 1 304 . THR . 27469 1 305 . ALA . 27469 1 306 . GLU . 27469 1 307 . LYS . 27469 1 308 . ALA . 27469 1 309 . GLU . 27469 1 310 . ASP . 27469 1 311 . LEU . 27469 1 312 . ILE . 27469 1 313 . GLY . 27469 1 314 . LYS . 27469 1 315 . GLY . 27469 1 316 . LEU . 27469 1 317 . ILE . 27469 1 318 . ASP . 27469 1 319 . ALA . 27469 1 320 . VAL . 27469 1 321 . ALA . 27469 1 322 . PHE . 27469 1 323 . GLY . 27469 1 324 . ARG . 27469 1 325 . ASP . 27469 1 326 . TYR . 27469 1 327 . ILE . 27469 1 328 . ALA . 27469 1 329 . ASN . 27469 1 330 . PRO . 27469 1 331 . ASP . 27469 1 332 . LEU . 27469 1 333 . VAL . 27469 1 334 . ALA . 27469 1 335 . ARG . 27469 1 336 . LEU . 27469 1 337 . GLN . 27469 1 338 . LYS . 27469 1 339 . LYS . 27469 1 340 . ALA . 27469 1 341 . GLU . 27469 1 342 . LEU . 27469 1 343 . ASN . 27469 1 344 . PRO . 27469 1 345 . GLN . 27469 1 346 . ARG . 27469 1 347 . PRO . 27469 1 348 . GLU . 27469 1 349 . SER . 27469 1 350 . PHE . 27469 1 351 . TYR . 27469 1 352 . GLY . 27469 1 353 . GLY . 27469 1 354 . GLY . 27469 1 355 . ALA . 27469 1 356 . GLU . 27469 1 357 . GLY . 27469 1 358 . TYR . 27469 1 359 . THR . 27469 1 360 . ASP . 27469 1 361 . TYR . 27469 1 362 . PRO . 27469 1 363 . SER . 27469 1 364 . LEU . 27469 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 . SER 1 1 27469 1 . ALA 2 2 27469 1 . GLU 3 3 27469 1 . LYS 4 4 27469 1 . LEU 5 5 27469 1 . PHE 6 6 27469 1 . THR 7 7 27469 1 . PRO 8 8 27469 1 . LEU 9 9 27469 1 . LYS 10 10 27469 1 . VAL 11 11 27469 1 . GLY 12 12 27469 1 . ALA 13 13 27469 1 . VAL 14 14 27469 1 . THR 15 15 27469 1 . ALA 16 16 27469 1 . PRO 17 17 27469 1 . ASN 18 18 27469 1 . ARG 19 19 27469 1 . VAL 20 20 27469 1 . PHE 21 21 27469 1 . MET 22 22 27469 1 . ALA 23 23 27469 1 . PRO 24 24 27469 1 . LEU 25 25 27469 1 . THR 26 26 27469 1 . ARG 27 27 27469 1 . LEU 28 28 27469 1 . ARG 29 29 27469 1 . SER 30 30 27469 1 . ILE 31 31 27469 1 . GLU 32 32 27469 1 . PRO 33 33 27469 1 . GLY 34 34 27469 1 . ASP 35 35 27469 1 . ILE 36 36 27469 1 . PRO 37 37 27469 1 . THR 38 38 27469 1 . PRO 39 39 27469 1 . LEU 40 40 27469 1 . MET 41 41 27469 1 . GLY 42 42 27469 1 . GLU 43 43 27469 1 . TYR 44 44 27469 1 . TYR 45 45 27469 1 . ARG 46 46 27469 1 . GLN 47 47 27469 1 . ARG 48 48 27469 1 . ALA 49 49 27469 1 . SER 50 50 27469 1 . ALA 51 51 27469 1 . GLY 52 52 27469 1 . LEU 53 53 27469 1 . ILE 54 54 27469 1 . ILE 55 55 27469 1 . SER 56 56 27469 1 . GLU 57 57 27469 1 . ALA 58 58 27469 1 . THR 59 59 27469 1 . GLN 60 60 27469 1 . ILE 61 61 27469 1 . SER 62 62 27469 1 . ALA 63 63 27469 1 . GLN 64 64 27469 1 . ALA 65 65 27469 1 . LYS 66 66 27469 1 . GLY 67 67 27469 1 . TYR 68 68 27469 1 . ALA 69 69 27469 1 . GLY 70 70 27469 1 . ALA 71 71 27469 1 . PRO 72 72 27469 1 . GLY 73 73 27469 1 . LEU 74 74 27469 1 . HIS 75 75 27469 1 . SER 76 76 27469 1 . PRO 77 77 27469 1 . GLU 78 78 27469 1 . GLN 79 79 27469 1 . ILE 80 80 27469 1 . ALA 81 81 27469 1 . ALA 82 82 27469 1 . TRP 83 83 27469 1 . LYS 84 84 27469 1 . LYS 85 85 27469 1 . ILE 86 86 27469 1 . THR 87 87 27469 1 . ALA 88 88 27469 1 . GLY 89 89 27469 1 . VAL 90 90 27469 1 . HIS 91 91 27469 1 . ALA 92 92 27469 1 . GLU 93 93 27469 1 . ASP 94 94 27469 1 . GLY 95 95 27469 1 . ARG 96 96 27469 1 . ILE 97 97 27469 1 . ALA 98 98 27469 1 . VAL 99 99 27469 1 . GLN 100 100 27469 1 . LEU 101 101 27469 1 . TRP 102 102 27469 1 . HIS 103 103 27469 1 . THR 104 104 27469 1 . GLY 105 105 27469 1 . ARG 106 106 27469 1 . ILE 107 107 27469 1 . SER 108 108 27469 1 . HIS 109 109 27469 1 . SER 110 110 27469 1 . SER 111 111 27469 1 . ILE 112 112 27469 1 . GLN 113 113 27469 1 . PRO 114 114 27469 1 . GLY 115 115 27469 1 . GLY 116 116 27469 1 . GLN 117 117 27469 1 . ALA 118 118 27469 1 . PRO 119 119 27469 1 . VAL 120 120 27469 1 . SER 121 121 27469 1 . ALA 122 122 27469 1 . SER 123 123 27469 1 . ALA 124 124 27469 1 . LEU 125 125 27469 1 . ASN 126 126 27469 1 . ALA 127 127 27469 1 . ASN 128 128 27469 1 . THR 129 129 27469 1 . ARG 130 130 27469 1 . THR 131 131 27469 1 . SER 132 132 27469 1 . LEU 133 133 27469 1 . ARG 134 134 27469 1 . ASP 135 135 27469 1 . GLU 136 136 27469 1 . ASN 137 137 27469 1 . GLY 138 138 27469 1 . ASN 139 139 27469 1 . ALA 140 140 27469 1 . ILE 141 141 27469 1 . ARG 142 142 27469 1 . VAL 143 143 27469 1 . ASP 144 144 27469 1 . THR 145 145 27469 1 . THR 146 146 27469 1 . THR 147 147 27469 1 . PRO 148 148 27469 1 . ARG 149 149 27469 1 . ALA 150 150 27469 1 . LEU 151 151 27469 1 . GLU 152 152 27469 1 . LEU 153 153 27469 1 . ASP 154 154 27469 1 . GLU 155 155 27469 1 . ILE 156 156 27469 1 . PRO 157 157 27469 1 . GLY 158 158 27469 1 . ILE 159 159 27469 1 . VAL 160 160 27469 1 . ASN 161 161 27469 1 . ASP 162 162 27469 1 . PHE 163 163 27469 1 . ARG 164 164 27469 1 . GLN 165 165 27469 1 . ALA 166 166 27469 1 . VAL 167 167 27469 1 . ALA 168 168 27469 1 . ASN 169 169 27469 1 . ALA 170 170 27469 1 . ARG 171 171 27469 1 . GLU 172 172 27469 1 . ALA 173 173 27469 1 . GLY 174 174 27469 1 . PHE 175 175 27469 1 . ASP 176 176 27469 1 . LEU 177 177 27469 1 . VAL 178 178 27469 1 . GLU 179 179 27469 1 . LEU 180 180 27469 1 . HIS 181 181 27469 1 . SER 182 182 27469 1 . ALA 183 183 27469 1 . HIS 184 184 27469 1 . GLY 185 185 27469 1 . TYR 186 186 27469 1 . LEU 187 187 27469 1 . LEU 188 188 27469 1 . HIS 189 189 27469 1 . GLN 190 190 27469 1 . PHE 191 191 27469 1 . LEU 192 192 27469 1 . SER 193 193 27469 1 . PRO 194 194 27469 1 . SER 195 195 27469 1 . SER 196 196 27469 1 . ASN 197 197 27469 1 . GLN 198 198 27469 1 . ARG 199 199 27469 1 . THR 200 200 27469 1 . ASP 201 201 27469 1 . GLN 202 202 27469 1 . TYR 203 203 27469 1 . GLY 204 204 27469 1 . GLY 205 205 27469 1 . SER 206 206 27469 1 . VAL 207 207 27469 1 . GLU 208 208 27469 1 . ASN 209 209 27469 1 . ARG 210 210 27469 1 . ALA 211 211 27469 1 . ARG 212 212 27469 1 . LEU 213 213 27469 1 . VAL 214 214 27469 1 . LEU 215 215 27469 1 . GLU 216 216 27469 1 . VAL 217 217 27469 1 . VAL 218 218 27469 1 . ASP 219 219 27469 1 . ALA 220 220 27469 1 . VAL 221 221 27469 1 . CYS 222 222 27469 1 . ASN 223 223 27469 1 . GLU 224 224 27469 1 . TRP 225 225 27469 1 . SER 226 226 27469 1 . ALA 227 227 27469 1 . ASP 228 228 27469 1 . ARG 229 229 27469 1 . ILE 230 230 27469 1 . GLY 231 231 27469 1 . ILE 232 232 27469 1 . ARG 233 233 27469 1 . VAL 234 234 27469 1 . SER 235 235 27469 1 . PRO 236 236 27469 1 . ILE 237 237 27469 1 . GLY 238 238 27469 1 . THR 239 239 27469 1 . PHE 240 240 27469 1 . GLN 241 241 27469 1 . ASN 242 242 27469 1 . VAL 243 243 27469 1 . ASP 244 244 27469 1 . ASN 245 245 27469 1 . GLY 246 246 27469 1 . PRO 247 247 27469 1 . ASN 248 248 27469 1 . GLU 249 249 27469 1 . GLU 250 250 27469 1 . ALA 251 251 27469 1 . ASP 252 252 27469 1 . ALA 253 253 27469 1 . LEU 254 254 27469 1 . TYR 255 255 27469 1 . LEU 256 256 27469 1 . ILE 257 257 27469 1 . GLU 258 258 27469 1 . GLU 259 259 27469 1 . LEU 260 260 27469 1 . ALA 261 261 27469 1 . LYS 262 262 27469 1 . ARG 263 263 27469 1 . GLY 264 264 27469 1 . ILE 265 265 27469 1 . ALA 266 266 27469 1 . TYR 267 267 27469 1 . LEU 268 268 27469 1 . HIS 269 269 27469 1 . MET 270 270 27469 1 . SER 271 271 27469 1 . GLU 272 272 27469 1 . THR 273 273 27469 1 . ASP 274 274 27469 1 . LEU 275 275 27469 1 . ALA 276 276 27469 1 . GLY 277 277 27469 1 . GLY 278 278 27469 1 . LYS 279 279 27469 1 . PRO 280 280 27469 1 . TYR 281 281 27469 1 . SER 282 282 27469 1 . GLU 283 283 27469 1 . ALA 284 284 27469 1 . PHE 285 285 27469 1 . ARG 286 286 27469 1 . GLN 287 287 27469 1 . LYS 288 288 27469 1 . VAL 289 289 27469 1 . ARG 290 290 27469 1 . GLU 291 291 27469 1 . ARG 292 292 27469 1 . PHE 293 293 27469 1 . HIS 294 294 27469 1 . GLY 295 295 27469 1 . VAL 296 296 27469 1 . ILE 297 297 27469 1 . ILE 298 298 27469 1 . GLY 299 299 27469 1 . ALA 300 300 27469 1 . GLY 301 301 27469 1 . ALA 302 302 27469 1 . TYR 303 303 27469 1 . THR 304 304 27469 1 . ALA 305 305 27469 1 . GLU 306 306 27469 1 . LYS 307 307 27469 1 . ALA 308 308 27469 1 . GLU 309 309 27469 1 . ASP 310 310 27469 1 . LEU 311 311 27469 1 . ILE 312 312 27469 1 . GLY 313 313 27469 1 . LYS 314 314 27469 1 . GLY 315 315 27469 1 . LEU 316 316 27469 1 . ILE 317 317 27469 1 . ASP 318 318 27469 1 . ALA 319 319 27469 1 . VAL 320 320 27469 1 . ALA 321 321 27469 1 . PHE 322 322 27469 1 . GLY 323 323 27469 1 . ARG 324 324 27469 1 . ASP 325 325 27469 1 . TYR 326 326 27469 1 . ILE 327 327 27469 1 . ALA 328 328 27469 1 . ASN 329 329 27469 1 . PRO 330 330 27469 1 . ASP 331 331 27469 1 . LEU 332 332 27469 1 . VAL 333 333 27469 1 . ALA 334 334 27469 1 . ARG 335 335 27469 1 . LEU 336 336 27469 1 . GLN 337 337 27469 1 . LYS 338 338 27469 1 . LYS 339 339 27469 1 . ALA 340 340 27469 1 . GLU 341 341 27469 1 . LEU 342 342 27469 1 . ASN 343 343 27469 1 . PRO 344 344 27469 1 . GLN 345 345 27469 1 . ARG 346 346 27469 1 . PRO 347 347 27469 1 . GLU 348 348 27469 1 . SER 349 349 27469 1 . PHE 350 350 27469 1 . TYR 351 351 27469 1 . GLY 352 352 27469 1 . GLY 353 353 27469 1 . GLY 354 354 27469 1 . ALA 355 355 27469 1 . GLU 356 356 27469 1 . GLY 357 357 27469 1 . TYR 358 358 27469 1 . THR 359 359 27469 1 . ASP 360 360 27469 1 . TYR 361 361 27469 1 . PRO 362 362 27469 1 . SER 363 363 27469 1 . LEU 364 364 27469 1 stop_ save_ save_entity_FMN _Entity.Sf_category entity _Entity.Sf_framecode entity_FMN _Entity.Entry_ID 27469 _Entity.ID 2 _Entity.BMRB_code FMN _Entity.Name entity_FMN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID FMN _Entity.Nonpolymer_comp_label $chem_comp_FMN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 456.344 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FLAVIN MONONUCLEOTIDE' BMRB 27469 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'FLAVIN MONONUCLEOTIDE' BMRB 27469 2 FMN 'Three letter code' 27469 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 FMN $chem_comp_FMN 27469 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27469 _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 $PETNR . 550 organism . 'Enterobacter cloacae' 'Enterobacter cloacae' . . Bacteria . Enterobacter cloacae PB2 . . . . . . . . . . . . 27469 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27469 _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 $PETNR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli JM109 . . . . . 'pBlueScript II SK(+)' . . 'Recombinant PETNR is expressed and purified as a tight non-covalently bound PETNR:FMNox complex' 27469 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FMN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FMN _Chem_comp.Entry_ID 27469 _Chem_comp.ID FMN _Chem_comp.Provenance PDB _Chem_comp.Name 'FLAVIN MONONUCLEOTIDE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code FMN _Chem_comp.PDB_code FMN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2016-02-17 _Chem_comp.Modified_date 2016-02-17 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FMN _Chem_comp.Number_atoms_all 52 _Chem_comp.Number_atoms_nh 31 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'RIBOFLAVIN MONOPHOSPHATE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C17 H21 N4 O9 P' _Chem_comp.Formula_weight 456.344 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FLM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C SMILES_CANONICAL CACTVS 3.385 27469 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C SMILES CACTVS 3.385 27469 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.7.6 27469 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 27469 FMN FVTCRASFADXXNN-SCRDCRAPSA-N InChIKey InChI 1.03 27469 FMN ; InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 ; InChI InChI 1.03 27469 FMN N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O SMILES ACDLabs 12.01 27469 FMN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol 'SYSTEMATIC NAME' ACDLabs 12.01 27469 FMN '[(2R,3S,4S)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 27469 FMN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 33.864 . 7.225 . 13.583 . 2.118 -2.493 0.531 1 . 27469 FMN C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 33.031 . 6.319 . 13.062 . 2.713 -3.638 0.206 2 . 27469 FMN O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 33.185 . 5.133 . 13.215 . 2.122 -4.677 0.445 3 . 27469 FMN N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 31.974 . 6.721 . 12.176 . 3.921 -3.721 -0.368 4 . 27469 FMN C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 31.788 . 8.007 . 11.826 . 4.636 -2.610 -0.664 5 . 27469 FMN O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 30.899 . 8.358 . 11.037 . 5.732 -2.682 -1.185 6 . 27469 FMN C4A C4A C4A C4A . C . . N 0 . . . 1 no no . . . . 32.736 . 8.990 . 12.357 . 4.027 -1.305 -0.325 7 . 27469 FMN N5 N5 N5 N5 . N . . N 0 . . . 1 no no . . . . 32.559 . 10.279 . 12.130 . 4.631 -0.170 -0.566 8 . 27469 FMN C5A C5A C5A C5A . C . . N 0 . . . 1 yes no . . . . 33.345 . 11.186 . 12.722 . 4.051 0.995 -0.246 9 . 27469 FMN C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 33.122 . 12.607 . 12.487 . 4.718 2.206 -0.514 10 . 27469 FMN C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . 33.814 . 13.518 . 13.226 . 4.131 3.392 -0.190 11 . 27469 FMN C7M C7M C7M C7M . C . . N 0 . . . 1 no no . . . . 33.489 . 15.018 . 13.122 . 4.850 4.683 -0.480 12 . 27469 FMN C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 34.893 . 13.117 . 14.090 . 2.874 3.423 0.405 13 . 27469 FMN C8M C8M C8M C8M . C . . N 0 . . . 1 no no . . . . 35.812 . 14.115 . 14.778 . 2.246 4.748 0.752 14 . 27469 FMN C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . 35.153 . 11.792 . 14.273 . 2.197 2.255 0.678 15 . 27469 FMN C9A C9A C9A C9A . C . . N 0 . . . 1 yes no . . . . 34.382 . 10.809 . 13.674 . 2.774 1.029 0.359 16 . 27469 FMN N10 N10 N10 N10 . N . . N 0 . . . 1 no no . . . . 34.557 . 9.434 . 13.883 . 2.101 -0.144 0.631 17 . 27469 FMN C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 33.786 . 8.495 . 13.263 . 2.695 -1.325 0.304 18 . 27469 FMN C1' C1' C1' C1' . C . . N 0 . . . 1 no no . . . . 35.554 . 8.925 . 14.861 . 0.777 -0.119 1.258 19 . 27469 FMN C2' C2' C2' C2' . C . . S 0 . . . 1 no no . . . . 34.789 . 8.587 . 16.157 . -0.300 -0.060 0.173 20 . 27469 FMN O2' O2' O2' O2' . O . . N 0 . . . 1 no no . . . . 34.417 . 9.829 . 16.794 . -0.122 1.121 -0.611 21 . 27469 FMN C3' C3' C3' C3' . C . . S 0 . . . 1 no no . . . . 35.681 . 7.821 . 17.150 . -1.683 -0.035 0.827 22 . 27469 FMN O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 36.849 . 8.662 . 17.488 . -1.860 -1.217 1.611 23 . 27469 FMN C4' C4' C4' C4' . C . . R 0 . . . 1 no no . . . . 36.212 . 6.518 . 16.591 . -2.760 0.024 -0.258 24 . 27469 FMN O4' O4' O4' O4' . O . . N 0 . . . 1 no no . . . . 35.149 . 5.804 . 15.909 . -2.582 1.206 -1.042 25 . 27469 FMN C5' C5' C5' C5' . C . . N 0 . . . 1 no no . . . . 36.712 . 5.634 . 17.721 . -4.142 0.049 0.397 26 . 27469 FMN O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 35.604 . 5.252 . 18.579 . -5.149 -0.013 -0.615 27 . 27469 FMN P P P P . P . . N 0 . . . 1 no no . . . . 35.837 . 4.628 . 20.038 . -6.725 -0.007 -0.285 28 . 27469 FMN O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 36.585 . 5.692 . 20.802 . -7.053 1.180 0.536 29 . 27469 FMN O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 36.682 . 3.364 . 19.847 . -7.561 0.045 -1.660 30 . 27469 FMN O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 34.436 . 4.306 . 20.554 . -7.109 -1.344 0.526 31 . 27469 FMN HN3 HN3 HN3 HN3 . H . . N 0 . . . 1 no no . . . . 31.358 . 6.024 . 11.808 . 4.291 -4.593 -0.577 32 . 27469 FMN H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 32.417 . 12.933 . 11.737 . 5.695 2.195 -0.975 33 . 27469 FMN HM71 HM71 HM71 HM71 . H . . N 0 . . . 0 no no . . . . 32.733 . 15.283 . 13.876 . 4.585 5.031 -1.479 34 . 27469 FMN HM72 HM72 HM72 HM72 . H . . N 0 . . . 0 no no . . . . 34.403 . 15.604 . 13.297 . 4.560 5.434 0.255 35 . 27469 FMN HM73 HM73 HM73 HM73 . H . . N 0 . . . 0 no no . . . . 33.098 . 15.240 . 12.118 . 5.927 4.520 -0.427 36 . 27469 FMN HM81 HM81 HM81 HM81 . H . . N 0 . . . 0 no no . . . . 35.406 . 14.366 . 15.769 . 1.656 5.103 -0.093 37 . 27469 FMN HM82 HM82 HM82 HM82 . H . . N 0 . . . 0 no no . . . . 36.813 . 13.673 . 14.893 . 1.599 4.627 1.622 38 . 27469 FMN HM83 HM83 HM83 HM83 . H . . N 0 . . . 0 no no . . . . 35.883 . 15.028 . 14.169 . 3.028 5.473 0.979 39 . 27469 FMN H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 35.982 . 11.500 . 14.901 . 1.222 2.290 1.141 40 . 27469 FMN H1'1 H1'1 H1'1 H1'1 . H . . N 0 . . . 0 no no . . . . 36.043 . 8.023 . 14.466 . 0.642 -1.021 1.856 41 . 27469 FMN H1'2 H1'2 H1'2 H1'2 . H . . N 0 . . . 0 no no . . . . 36.313 . 9.696 . 15.061 . 0.695 0.758 1.899 42 . 27469 FMN H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . 33.900 . 7.985 . 15.916 . -0.218 -0.938 -0.469 43 . 27469 FMN HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 no no . . . . 33.943 . 9.644 . 17.597 . -0.183 1.942 -0.104 44 . 27469 FMN H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 35.100 . 7.613 . 18.061 . -1.765 0.842 1.469 45 . 27469 FMN HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 no no . . . . 37.407 . 8.198 . 18.101 . -1.800 -2.038 1.104 46 . 27469 FMN H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 37.039 . 6.727 . 15.897 . -2.677 -0.853 -0.900 47 . 27469 FMN HO4' HO4' HO4' HO4' . H . . N 0 . . . 0 no no . . . . 35.488 . 4.988 . 15.561 . -2.642 2.027 -0.535 48 . 27469 FMN H5'1 H5'1 H5'1 H5'1 . H . . N 0 . . . 0 no no . . . . 37.175 . 4.730 . 17.299 . -4.244 -0.807 1.064 49 . 27469 FMN H5'2 H5'2 H5'2 H5'2 . H . . N 0 . . . 0 no no . . . . 37.458 . 6.185 . 18.312 . -4.257 0.971 0.967 50 . 27469 FMN HOP2 HOP2 HOP2 HOP2 . H . . N 0 . . . 0 no no . . . . 37.533 . 3.487 . 20.251 . -8.520 0.051 -1.537 51 . 27469 FMN HOP3 HOP3 HOP3 HOP3 . H . . N 0 . . . 0 no no . . . . 34.244 . 4.849 . 21.309 . -6.921 -2.162 0.047 52 . 27469 FMN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 no N 1 . 27469 FMN 2 . DOUB N1 C10 no N 2 . 27469 FMN 3 . DOUB C2 O2 no N 3 . 27469 FMN 4 . SING C2 N3 no N 4 . 27469 FMN 5 . SING N3 C4 no N 5 . 27469 FMN 6 . SING N3 HN3 no N 6 . 27469 FMN 7 . DOUB C4 O4 no N 7 . 27469 FMN 8 . SING C4 C4A no N 8 . 27469 FMN 9 . DOUB C4A N5 no N 9 . 27469 FMN 10 . SING C4A C10 no N 10 . 27469 FMN 11 . SING N5 C5A no N 11 . 27469 FMN 12 . DOUB C5A C6 yes N 12 . 27469 FMN 13 . SING C5A C9A yes N 13 . 27469 FMN 14 . SING C6 C7 yes N 14 . 27469 FMN 15 . SING C6 H6 no N 15 . 27469 FMN 16 . SING C7 C7M no N 16 . 27469 FMN 17 . DOUB C7 C8 yes N 17 . 27469 FMN 18 . SING C7M HM71 no N 18 . 27469 FMN 19 . SING C7M HM72 no N 19 . 27469 FMN 20 . SING C7M HM73 no N 20 . 27469 FMN 21 . SING C8 C8M no N 21 . 27469 FMN 22 . SING C8 C9 yes N 22 . 27469 FMN 23 . SING C8M HM81 no N 23 . 27469 FMN 24 . SING C8M HM82 no N 24 . 27469 FMN 25 . SING C8M HM83 no N 25 . 27469 FMN 26 . DOUB C9 C9A yes N 26 . 27469 FMN 27 . SING C9 H9 no N 27 . 27469 FMN 28 . SING C9A N10 no N 28 . 27469 FMN 29 . SING N10 C10 no N 29 . 27469 FMN 30 . SING N10 C1' no N 30 . 27469 FMN 31 . SING C1' C2' no N 31 . 27469 FMN 32 . SING C1' H1'1 no N 32 . 27469 FMN 33 . SING C1' H1'2 no N 33 . 27469 FMN 34 . SING C2' O2' no N 34 . 27469 FMN 35 . SING C2' C3' no N 35 . 27469 FMN 36 . SING C2' H2' no N 36 . 27469 FMN 37 . SING O2' HO2' no N 37 . 27469 FMN 38 . SING C3' O3' no N 38 . 27469 FMN 39 . SING C3' C4' no N 39 . 27469 FMN 40 . SING C3' H3' no N 40 . 27469 FMN 41 . SING O3' HO3' no N 41 . 27469 FMN 42 . SING C4' O4' no N 42 . 27469 FMN 43 . SING C4' C5' no N 43 . 27469 FMN 44 . SING C4' H4' no N 44 . 27469 FMN 45 . SING O4' HO4' no N 45 . 27469 FMN 46 . SING C5' O5' no N 46 . 27469 FMN 47 . SING C5' H5'1 no N 47 . 27469 FMN 48 . SING C5' H5'2 no N 48 . 27469 FMN 49 . SING O5' P no N 49 . 27469 FMN 50 . DOUB P O1P no N 50 . 27469 FMN 51 . SING P O2P no N 51 . 27469 FMN 52 . SING P O3P no N 52 . 27469 FMN 53 . SING O2P HOP2 no N 53 . 27469 FMN 54 . SING O3P HOP3 no N 54 . 27469 FMN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27469 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PETNR:FMNox '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $PETNR . . 1 . . mM . . . . 27469 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27469 1 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 27469 1 4 TSP [U-2H] . . . . . . 0.5 . . '% v/v' . . . . 27469 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . '% v/v' . . . . 27469 1 6 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 27469 1 7 NADPH4 'natural abundance' . . . . . . 10 . . mM . . . . 27469 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 27469 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 27469 1 pH 7.0 . pH 27469 1 pressure 1 . atm 27469 1 temperature 298 . K 27469 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27469 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27469 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27469 1 processing 27469 1 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27469 _Software.ID 2 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27469 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27469 2 'data analysis' 27469 2 'peak picking' 27469 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27469 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27469 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 800 . . . 27469 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27469 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27469 1 2 '3D TROSY-HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27469 1 3 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27469 1 4 '3D TROSY-HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27469 1 5 '3D TROSY-HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27469 1 6 '3D TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27469 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27469 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27469 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27469 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27469 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27469 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 ; TROSY offset: amide protons; TROSY offset: amide nitrogens; 2H isotope effect: backbone CA; 2H isotope effect: backbone CB. ; _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 TROSY' . . . 27469 1 2 '3D TROSY-HNCA' . . . 27469 1 3 '3D TROSY-HNCACB' . . . 27469 1 4 '3D TROSY-HN(CO)CACB' . . . 27469 1 5 '3D TROSY-HN(CA)CO' . . . 27469 1 6 '3D TROSY-HNCO' . . . 27469 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 $TOPSPIN . . 27469 1 2 $CcpNmr_Analysis . . 27469 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA C C 13 177.18 0.050 . 1 . . . . . 2 ALA C . 27469 1 2 . 1 1 2 2 ALA CA C 13 52.16 0.050 . 1 . . . . . 2 ALA CA . 27469 1 3 . 1 1 2 2 ALA CB C 13 18.22 0.050 . 1 . . . . . 2 ALA CB . 27469 1 4 . 1 1 3 3 GLU H H 1 8.52 0.005 . 1 . . . . . 3 GLU HN . 27469 1 5 . 1 1 3 3 GLU C C 13 178.19 0.050 . 1 . . . . . 3 GLU C . 27469 1 6 . 1 1 3 3 GLU CA C 13 57.17 0.050 . 1 . . . . . 3 GLU CA . 27469 1 7 . 1 1 3 3 GLU CB C 13 29.05 0.050 . 1 . . . . . 3 GLU CB . 27469 1 8 . 1 1 3 3 GLU N N 15 120.71 0.050 . 1 . . . . . 3 GLU N . 27469 1 9 . 1 1 4 4 LYS H H 1 11.18 0.005 . 1 . . . . . 4 LYS HN . 27469 1 10 . 1 1 4 4 LYS C C 13 179.86 0.050 . 1 . . . . . 4 LYS C . 27469 1 11 . 1 1 4 4 LYS CA C 13 57.54 0.050 . 1 . . . . . 4 LYS CA . 27469 1 12 . 1 1 4 4 LYS CB C 13 32.32 0.050 . 1 . . . . . 4 LYS CB . 27469 1 13 . 1 1 4 4 LYS N N 15 128.73 0.050 . 1 . . . . . 4 LYS N . 27469 1 14 . 1 1 5 5 LEU H H 1 9.37 0.005 . 1 . . . . . 5 LEU HN . 27469 1 15 . 1 1 5 5 LEU C C 13 175.72 0.050 . 1 . . . . . 5 LEU C . 27469 1 16 . 1 1 5 5 LEU CA C 13 56.99 0.050 . 1 . . . . . 5 LEU CA . 27469 1 17 . 1 1 5 5 LEU CB C 13 41.30 0.050 . 1 . . . . . 5 LEU CB . 27469 1 18 . 1 1 5 5 LEU N N 15 121.18 0.050 . 1 . . . . . 5 LEU N . 27469 1 19 . 1 1 6 6 PHE H H 1 7.25 0.005 . 1 . . . . . 6 PHE HN . 27469 1 20 . 1 1 6 6 PHE C C 13 174.47 0.050 . 1 . . . . . 6 PHE C . 27469 1 21 . 1 1 6 6 PHE CA C 13 55.40 0.050 . 1 . . . . . 6 PHE CA . 27469 1 22 . 1 1 6 6 PHE CB C 13 37.13 0.050 . 1 . . . . . 6 PHE CB . 27469 1 23 . 1 1 6 6 PHE N N 15 115.14 0.050 . 1 . . . . . 6 PHE N . 27469 1 24 . 1 1 7 7 THR H H 1 7.19 0.005 . 1 . . . . . 7 THR HN . 27469 1 25 . 1 1 7 7 THR C C 13 172.05 0.050 . 1 . . . . . 7 THR C . 27469 1 26 . 1 1 7 7 THR CA C 13 58.13 0.050 . 1 . . . . . 7 THR CA . 27469 1 27 . 1 1 7 7 THR CB C 13 70.27 0.050 . 1 . . . . . 7 THR CB . 27469 1 28 . 1 1 7 7 THR N N 15 111.27 0.050 . 1 . . . . . 7 THR N . 27469 1 29 . 1 1 8 8 PRO C C 13 176.64 0.050 . 1 . . . . . 8 PRO C . 27469 1 30 . 1 1 8 8 PRO CA C 13 62.37 0.050 . 1 . . . . . 8 PRO CA . 27469 1 31 . 1 1 8 8 PRO CB C 13 32.74 0.050 . 1 . . . . . 8 PRO CB . 27469 1 32 . 1 1 9 9 LEU H H 1 8.79 0.005 . 1 . . . . . 9 LEU HN . 27469 1 33 . 1 1 9 9 LEU C C 13 174.23 0.050 . 1 . . . . . 9 LEU C . 27469 1 34 . 1 1 9 9 LEU CA C 13 53.54 0.050 . 1 . . . . . 9 LEU CA . 27469 1 35 . 1 1 9 9 LEU CB C 13 46.43 0.050 . 1 . . . . . 9 LEU CB . 27469 1 36 . 1 1 9 9 LEU N N 15 121.58 0.050 . 1 . . . . . 9 LEU N . 27469 1 37 . 1 1 10 10 LYS H H 1 8.69 0.005 . 1 . . . . . 10 LYS HN . 27469 1 38 . 1 1 10 10 LYS C C 13 175.17 0.050 . 1 . . . . . 10 LYS C . 27469 1 39 . 1 1 10 10 LYS CA C 13 56.59 0.050 . 1 . . . . . 10 LYS CA . 27469 1 40 . 1 1 10 10 LYS CB C 13 31.46 0.050 . 1 . . . . . 10 LYS CB . 27469 1 41 . 1 1 10 10 LYS N N 15 129.65 0.050 . 1 . . . . . 10 LYS N . 27469 1 42 . 1 1 11 11 VAL H H 1 9.25 0.005 . 1 . . . . . 11 VAL HN . 27469 1 43 . 1 1 11 11 VAL C C 13 174.00 0.050 . 1 . . . . . 11 VAL C . 27469 1 44 . 1 1 11 11 VAL CA C 13 59.57 0.050 . 1 . . . . . 11 VAL CA . 27469 1 45 . 1 1 11 11 VAL CB C 13 30.59 0.050 . 1 . . . . . 11 VAL CB . 27469 1 46 . 1 1 11 11 VAL N N 15 131.10 0.050 . 1 . . . . . 11 VAL N . 27469 1 47 . 1 1 12 12 GLY H H 1 8.69 0.005 . 1 . . . . . 12 GLY HN . 27469 1 48 . 1 1 12 12 GLY C C 13 175.09 0.050 . 1 . . . . . 12 GLY C . 27469 1 49 . 1 1 12 12 GLY CA C 13 46.28 0.050 . 1 . . . . . 12 GLY CA . 27469 1 50 . 1 1 12 12 GLY N N 15 112.40 0.050 . 1 . . . . . 12 GLY N . 27469 1 51 . 1 1 13 13 ALA H H 1 7.96 0.005 . 1 . . . . . 13 ALA HN . 27469 1 52 . 1 1 13 13 ALA C C 13 177.54 0.050 . 1 . . . . . 13 ALA C . 27469 1 53 . 1 1 13 13 ALA CA C 13 52.88 0.050 . 1 . . . . . 13 ALA CA . 27469 1 54 . 1 1 13 13 ALA CB C 13 18.66 0.050 . 1 . . . . . 13 ALA CB . 27469 1 55 . 1 1 13 13 ALA N N 15 128.73 0.050 . 1 . . . . . 13 ALA N . 27469 1 56 . 1 1 14 14 VAL H H 1 7.82 0.005 . 1 . . . . . 14 VAL HN . 27469 1 57 . 1 1 14 14 VAL C C 13 173.86 0.050 . 1 . . . . . 14 VAL C . 27469 1 58 . 1 1 14 14 VAL CA C 13 59.40 0.050 . 1 . . . . . 14 VAL CA . 27469 1 59 . 1 1 14 14 VAL CB C 13 33.87 0.050 . 1 . . . . . 14 VAL CB . 27469 1 60 . 1 1 14 14 VAL N N 15 114.52 0.050 . 1 . . . . . 14 VAL N . 27469 1 61 . 1 1 15 15 THR H H 1 8.65 0.005 . 1 . . . . . 15 THR HN . 27469 1 62 . 1 1 15 15 THR C C 13 173.49 0.050 . 1 . . . . . 15 THR C . 27469 1 63 . 1 1 15 15 THR CA C 13 61.94 0.050 . 1 . . . . . 15 THR CA . 27469 1 64 . 1 1 15 15 THR CB C 13 68.82 0.050 . 1 . . . . . 15 THR CB . 27469 1 65 . 1 1 15 15 THR N N 15 119.89 0.050 . 1 . . . . . 15 THR N . 27469 1 66 . 1 1 16 16 ALA H H 1 9.17 0.005 . 1 . . . . . 16 ALA HN . 27469 1 67 . 1 1 16 16 ALA C C 13 176.75 0.050 . 1 . . . . . 16 ALA C . 27469 1 68 . 1 1 16 16 ALA CA C 13 48.26 0.050 . 1 . . . . . 16 ALA CA . 27469 1 69 . 1 1 16 16 ALA CB C 13 19.71 0.050 . 1 . . . . . 16 ALA CB . 27469 1 70 . 1 1 16 16 ALA N N 15 132.73 0.050 . 1 . . . . . 16 ALA N . 27469 1 71 . 1 1 17 17 PRO C C 13 174.59 0.050 . 1 . . . . . 17 PRO C . 27469 1 72 . 1 1 17 17 PRO CA C 13 63.37 0.050 . 1 . . . . . 17 PRO CA . 27469 1 73 . 1 1 17 17 PRO CB C 13 31.22 0.050 . 1 . . . . . 17 PRO CB . 27469 1 74 . 1 1 18 18 ASN H H 1 7.36 0.005 . 1 . . . . . 18 ASN HN . 27469 1 75 . 1 1 18 18 ASN C C 13 173.09 0.050 . 1 . . . . . 18 ASN C . 27469 1 76 . 1 1 18 18 ASN CA C 13 51.88 0.050 . 1 . . . . . 18 ASN CA . 27469 1 77 . 1 1 18 18 ASN CB C 13 39.85 0.050 . 1 . . . . . 18 ASN CB . 27469 1 78 . 1 1 18 18 ASN N N 15 110.81 0.050 . 1 . . . . . 18 ASN N . 27469 1 79 . 1 1 19 19 ARG H H 1 8.04 0.005 . 1 . . . . . 19 ARG HN . 27469 1 80 . 1 1 19 19 ARG C C 13 172.68 0.050 . 1 . . . . . 19 ARG C . 27469 1 81 . 1 1 19 19 ARG CA C 13 54.63 0.050 . 1 . . . . . 19 ARG CA . 27469 1 82 . 1 1 19 19 ARG CB C 13 28.27 0.050 . 1 . . . . . 19 ARG CB . 27469 1 83 . 1 1 19 19 ARG N N 15 114.95 0.050 . 1 . . . . . 19 ARG N . 27469 1 84 . 1 1 20 20 VAL H H 1 8.77 0.005 . 1 . . . . . 20 VAL HN . 27469 1 85 . 1 1 20 20 VAL C C 13 173.67 0.050 . 1 . . . . . 20 VAL C . 27469 1 86 . 1 1 20 20 VAL CA C 13 61.66 0.050 . 1 . . . . . 20 VAL CA . 27469 1 87 . 1 1 20 20 VAL CB C 13 29.66 0.050 . 1 . . . . . 20 VAL CB . 27469 1 88 . 1 1 20 20 VAL N N 15 120.63 0.050 . 1 . . . . . 20 VAL N . 27469 1 89 . 1 1 21 21 PHE H H 1 9.35 0.005 . 1 . . . . . 21 PHE HN . 27469 1 90 . 1 1 21 21 PHE C C 13 174.85 0.050 . 1 . . . . . 21 PHE C . 27469 1 91 . 1 1 21 21 PHE CA C 13 52.09 0.050 . 1 . . . . . 21 PHE CA . 27469 1 92 . 1 1 21 21 PHE CB C 13 36.39 0.050 . 1 . . . . . 21 PHE CB . 27469 1 93 . 1 1 21 21 PHE N N 15 125.65 0.050 . 1 . . . . . 21 PHE N . 27469 1 94 . 1 1 22 22 MET H H 1 8.41 0.005 . 1 . . . . . 22 MET HN . 27469 1 95 . 1 1 22 22 MET C C 13 173.77 0.050 . 1 . . . . . 22 MET C . 27469 1 96 . 1 1 22 22 MET CA C 13 54.44 0.050 . 1 . . . . . 22 MET CA . 27469 1 97 . 1 1 22 22 MET CB C 13 32.37 0.050 . 1 . . . . . 22 MET CB . 27469 1 98 . 1 1 22 22 MET N N 15 122.96 0.050 . 1 . . . . . 22 MET N . 27469 1 99 . 1 1 23 23 ALA H H 1 7.86 0.005 . 1 . . . . . 23 ALA HN . 27469 1 100 . 1 1 23 23 ALA C C 13 172.67 0.050 . 1 . . . . . 23 ALA C . 27469 1 101 . 1 1 23 23 ALA CA C 13 49.92 0.050 . 1 . . . . . 23 ALA CA . 27469 1 102 . 1 1 23 23 ALA CB C 13 16.51 0.050 . 1 . . . . . 23 ALA CB . 27469 1 103 . 1 1 23 23 ALA N N 15 126.73 0.050 . 1 . . . . . 23 ALA N . 27469 1 104 . 1 1 24 24 PRO C C 13 179.19 0.050 . 1 . . . . . 24 PRO C . 27469 1 105 . 1 1 24 24 PRO CA C 13 61.78 0.050 . 1 . . . . . 24 PRO CA . 27469 1 106 . 1 1 24 24 PRO CB C 13 31.03 0.050 . 1 . . . . . 24 PRO CB . 27469 1 107 . 1 1 25 25 LEU H H 1 7.72 0.005 . 1 . . . . . 25 LEU HN . 27469 1 108 . 1 1 25 25 LEU C C 13 174.03 0.050 . 1 . . . . . 25 LEU C . 27469 1 109 . 1 1 25 25 LEU CA C 13 52.04 0.050 . 1 . . . . . 25 LEU CA . 27469 1 110 . 1 1 25 25 LEU CB C 13 43.61 0.050 . 1 . . . . . 25 LEU CB . 27469 1 111 . 1 1 25 25 LEU N N 15 126.33 0.050 . 1 . . . . . 25 LEU N . 27469 1 112 . 1 1 26 26 THR H H 1 10.72 0.005 . 1 . . . . . 26 THR HN . 27469 1 113 . 1 1 26 26 THR C C 13 172.35 0.050 . 1 . . . . . 26 THR C . 27469 1 114 . 1 1 26 26 THR CA C 13 66.00 0.050 . 1 . . . . . 26 THR CA . 27469 1 115 . 1 1 26 26 THR CB C 13 70.44 0.050 . 1 . . . . . 26 THR CB . 27469 1 116 . 1 1 26 26 THR N N 15 127.37 0.050 . 1 . . . . . 26 THR N . 27469 1 117 . 1 1 27 27 ARG H H 1 7.88 0.005 . 1 . . . . . 27 ARG HN . 27469 1 118 . 1 1 27 27 ARG C C 13 178.16 0.050 . 1 . . . . . 27 ARG C . 27469 1 119 . 1 1 27 27 ARG CA C 13 52.82 0.050 . 1 . . . . . 27 ARG CA . 27469 1 120 . 1 1 27 27 ARG N N 15 123.29 0.050 . 1 . . . . . 27 ARG N . 27469 1 121 . 1 1 28 28 LEU H H 1 9.59 0.005 . 1 . . . . . 28 LEU HN . 27469 1 122 . 1 1 28 28 LEU C C 13 176.31 0.050 . 1 . . . . . 28 LEU C . 27469 1 123 . 1 1 28 28 LEU CA C 13 54.38 0.050 . 1 . . . . . 28 LEU CA . 27469 1 124 . 1 1 28 28 LEU CB C 13 37.33 0.050 . 1 . . . . . 28 LEU CB . 27469 1 125 . 1 1 28 28 LEU N N 15 117.71 0.050 . 1 . . . . . 28 LEU N . 27469 1 126 . 1 1 29 29 ARG H H 1 9.01 0.005 . 1 . . . . . 29 ARG HN . 27469 1 127 . 1 1 29 29 ARG C C 13 176.99 0.050 . 1 . . . . . 29 ARG C . 27469 1 128 . 1 1 29 29 ARG CA C 13 55.06 0.050 . 1 . . . . . 29 ARG CA . 27469 1 129 . 1 1 29 29 ARG CB C 13 30.38 0.050 . 1 . . . . . 29 ARG CB . 27469 1 130 . 1 1 29 29 ARG N N 15 119.59 0.050 . 1 . . . . . 29 ARG N . 27469 1 131 . 1 1 30 30 SER H H 1 8.90 0.005 . 1 . . . . . 30 SER HN . 27469 1 132 . 1 1 30 30 SER C C 13 173.88 0.050 . 1 . . . . . 30 SER C . 27469 1 133 . 1 1 30 30 SER CA C 13 60.01 0.050 . 1 . . . . . 30 SER CA . 27469 1 134 . 1 1 30 30 SER CB C 13 61.93 0.050 . 1 . . . . . 30 SER CB . 27469 1 135 . 1 1 30 30 SER N N 15 117.89 0.050 . 1 . . . . . 30 SER N . 27469 1 136 . 1 1 31 31 ILE H H 1 8.51 0.005 . 1 . . . . . 31 ILE HN . 27469 1 137 . 1 1 31 31 ILE C C 13 176.96 0.050 . 1 . . . . . 31 ILE C . 27469 1 138 . 1 1 31 31 ILE CA C 13 61.58 0.050 . 1 . . . . . 31 ILE CA . 27469 1 139 . 1 1 31 31 ILE CB C 13 38.92 0.050 . 1 . . . . . 31 ILE CB . 27469 1 140 . 1 1 31 31 ILE N N 15 123.46 0.050 . 1 . . . . . 31 ILE N . 27469 1 141 . 1 1 32 32 GLU H H 1 8.45 0.005 . 1 . . . . . 32 GLU HN . 27469 1 142 . 1 1 32 32 GLU C C 13 174.42 0.050 . 1 . . . . . 32 GLU C . 27469 1 143 . 1 1 32 32 GLU CA C 13 53.29 0.050 . 1 . . . . . 32 GLU CA . 27469 1 144 . 1 1 32 32 GLU CB C 13 32.72 0.050 . 1 . . . . . 32 GLU CB . 27469 1 145 . 1 1 32 32 GLU N N 15 124.06 0.050 . 1 . . . . . 32 GLU N . 27469 1 146 . 1 1 34 34 GLY C C 13 173.99 0.050 . 1 . . . . . 34 GLY C . 27469 1 147 . 1 1 34 34 GLY CA C 13 44.49 0.050 . 1 . . . . . 34 GLY CA . 27469 1 148 . 1 1 35 35 ASP H H 1 8.03 0.005 . 1 . . . . . 35 ASP HN . 27469 1 149 . 1 1 35 35 ASP C C 13 174.50 0.050 . 1 . . . . . 35 ASP C . 27469 1 150 . 1 1 35 35 ASP CA C 13 54.28 0.050 . 1 . . . . . 35 ASP CA . 27469 1 151 . 1 1 35 35 ASP CB C 13 38.82 0.050 . 1 . . . . . 35 ASP CB . 27469 1 152 . 1 1 35 35 ASP N N 15 126.27 0.050 . 1 . . . . . 35 ASP N . 27469 1 153 . 1 1 36 36 ILE H H 1 8.07 0.005 . 1 . . . . . 36 ILE HN . 27469 1 154 . 1 1 36 36 ILE C C 13 174.68 0.050 . 1 . . . . . 36 ILE C . 27469 1 155 . 1 1 36 36 ILE CA C 13 58.95 0.050 . 1 . . . . . 36 ILE CA . 27469 1 156 . 1 1 36 36 ILE CB C 13 40.39 0.050 . 1 . . . . . 36 ILE CB . 27469 1 157 . 1 1 36 36 ILE N N 15 119.39 0.050 . 1 . . . . . 36 ILE N . 27469 1 158 . 1 1 37 37 PRO C C 13 175.12 0.050 . 1 . . . . . 37 PRO C . 27469 1 159 . 1 1 37 37 PRO CA C 13 61.86 0.050 . 1 . . . . . 37 PRO CA . 27469 1 160 . 1 1 37 37 PRO CB C 13 32.05 0.050 . 1 . . . . . 37 PRO CB . 27469 1 161 . 1 1 38 38 THR H H 1 7.79 0.005 . 1 . . . . . 38 THR HN . 27469 1 162 . 1 1 38 38 THR C C 13 174.43 0.050 . 1 . . . . . 38 THR C . 27469 1 163 . 1 1 38 38 THR CA C 13 59.12 0.050 . 1 . . . . . 38 THR CA . 27469 1 164 . 1 1 38 38 THR CB C 13 69.75 0.050 . 1 . . . . . 38 THR CB . 27469 1 165 . 1 1 38 38 THR N N 15 110.82 0.050 . 1 . . . . . 38 THR N . 27469 1 166 . 1 1 39 39 PRO C C 13 179.76 0.050 . 1 . . . . . 39 PRO C . 27469 1 167 . 1 1 39 39 PRO CA C 13 64.14 0.050 . 1 . . . . . 39 PRO CA . 27469 1 168 . 1 1 39 39 PRO CB C 13 30.85 0.050 . 1 . . . . . 39 PRO CB . 27469 1 169 . 1 1 40 40 LEU H H 1 7.63 0.005 . 1 . . . . . 40 LEU HN . 27469 1 170 . 1 1 40 40 LEU C C 13 179.07 0.050 . 1 . . . . . 40 LEU C . 27469 1 171 . 1 1 40 40 LEU CA C 13 57.83 0.050 . 1 . . . . . 40 LEU CA . 27469 1 172 . 1 1 40 40 LEU CB C 13 40.49 0.050 . 1 . . . . . 40 LEU CB . 27469 1 173 . 1 1 40 40 LEU N N 15 121.62 0.050 . 1 . . . . . 40 LEU N . 27469 1 174 . 1 1 41 41 MET H H 1 7.81 0.005 . 1 . . . . . 41 MET HN . 27469 1 175 . 1 1 41 41 MET C C 13 179.06 0.050 . 1 . . . . . 41 MET C . 27469 1 176 . 1 1 41 41 MET CA C 13 57.88 0.050 . 1 . . . . . 41 MET CA . 27469 1 177 . 1 1 41 41 MET CB C 13 32.14 0.050 . 1 . . . . . 41 MET CB . 27469 1 178 . 1 1 41 41 MET N N 15 119.28 0.050 . 1 . . . . . 41 MET N . 27469 1 179 . 1 1 42 42 GLY H H 1 8.27 0.005 . 1 . . . . . 42 GLY HN . 27469 1 180 . 1 1 42 42 GLY C C 13 175.91 0.050 . 1 . . . . . 42 GLY C . 27469 1 181 . 1 1 42 42 GLY CA C 13 49.32 0.050 . 1 . . . . . 42 GLY CA . 27469 1 182 . 1 1 42 42 GLY N N 15 105.31 0.050 . 1 . . . . . 42 GLY N . 27469 1 183 . 1 1 43 43 GLU H H 1 8.08 0.005 . 1 . . . . . 43 GLU HN . 27469 1 184 . 1 1 43 43 GLU C C 13 177.40 0.050 . 1 . . . . . 43 GLU C . 27469 1 185 . 1 1 43 43 GLU CA C 13 58.31 0.050 . 1 . . . . . 43 GLU CA . 27469 1 186 . 1 1 43 43 GLU CB C 13 28.11 0.050 . 1 . . . . . 43 GLU CB . 27469 1 187 . 1 1 43 43 GLU N N 15 125.72 0.050 . 1 . . . . . 43 GLU N . 27469 1 188 . 1 1 44 44 TYR H H 1 7.87 0.005 . 1 . . . . . 44 TYR HN . 27469 1 189 . 1 1 44 44 TYR C C 13 178.24 0.050 . 1 . . . . . 44 TYR C . 27469 1 190 . 1 1 44 44 TYR CA C 13 59.95 0.050 . 1 . . . . . 44 TYR CA . 27469 1 191 . 1 1 44 44 TYR CB C 13 36.47 0.050 . 1 . . . . . 44 TYR CB . 27469 1 192 . 1 1 44 44 TYR N N 15 122.51 0.050 . 1 . . . . . 44 TYR N . 27469 1 193 . 1 1 45 45 TYR H H 1 8.19 0.005 . 1 . . . . . 45 TYR HN . 27469 1 194 . 1 1 45 45 TYR C C 13 177.95 0.050 . 1 . . . . . 45 TYR C . 27469 1 195 . 1 1 45 45 TYR CA C 13 62.46 0.050 . 1 . . . . . 45 TYR CA . 27469 1 196 . 1 1 45 45 TYR CB C 13 36.98 0.050 . 1 . . . . . 45 TYR CB . 27469 1 197 . 1 1 45 45 TYR N N 15 117.65 0.050 . 1 . . . . . 45 TYR N . 27469 1 198 . 1 1 46 46 ARG H H 1 8.24 0.005 . 1 . . . . . 46 ARG HN . 27469 1 199 . 1 1 46 46 ARG C C 13 179.70 0.050 . 1 . . . . . 46 ARG C . 27469 1 200 . 1 1 46 46 ARG CA C 13 60.25 0.050 . 1 . . . . . 46 ARG CA . 27469 1 201 . 1 1 46 46 ARG CB C 13 28.69 0.050 . 1 . . . . . 46 ARG CB . 27469 1 202 . 1 1 46 46 ARG N N 15 120.21 0.050 . 1 . . . . . 46 ARG N . 27469 1 203 . 1 1 47 47 GLN H H 1 8.27 0.005 . 1 . . . . . 47 GLN HN . 27469 1 204 . 1 1 47 47 GLN C C 13 177.72 0.050 . 1 . . . . . 47 GLN C . 27469 1 205 . 1 1 47 47 GLN CA C 13 57.58 0.050 . 1 . . . . . 47 GLN CA . 27469 1 206 . 1 1 47 47 GLN CB C 13 28.73 0.050 . 1 . . . . . 47 GLN CB . 27469 1 207 . 1 1 47 47 GLN N N 15 116.69 0.050 . 1 . . . . . 47 GLN N . 27469 1 208 . 1 1 48 48 ARG H H 1 7.01 0.005 . 1 . . . . . 48 ARG HN . 27469 1 209 . 1 1 48 48 ARG C C 13 175.16 0.050 . 1 . . . . . 48 ARG C . 27469 1 210 . 1 1 48 48 ARG CA C 13 55.77 0.050 . 1 . . . . . 48 ARG CA . 27469 1 211 . 1 1 48 48 ARG CB C 13 28.87 0.050 . 1 . . . . . 48 ARG CB . 27469 1 212 . 1 1 48 48 ARG N N 15 117.91 0.050 . 1 . . . . . 48 ARG N . 27469 1 213 . 1 1 49 49 ALA H H 1 7.15 0.005 . 1 . . . . . 49 ALA HN . 27469 1 214 . 1 1 49 49 ALA C C 13 177.01 0.050 . 1 . . . . . 49 ALA C . 27469 1 215 . 1 1 49 49 ALA CA C 13 54.02 0.050 . 1 . . . . . 49 ALA CA . 27469 1 216 . 1 1 49 49 ALA CB C 13 18.78 0.050 . 1 . . . . . 49 ALA CB . 27469 1 217 . 1 1 49 49 ALA N N 15 118.83 0.050 . 1 . . . . . 49 ALA N . 27469 1 218 . 1 1 50 50 SER H H 1 8.05 0.005 . 1 . . . . . 50 SER HN . 27469 1 219 . 1 1 50 50 SER C C 13 174.97 0.050 . 1 . . . . . 50 SER C . 27469 1 220 . 1 1 50 50 SER CA C 13 58.54 0.050 . 1 . . . . . 50 SER CA . 27469 1 221 . 1 1 50 50 SER CB C 13 62.95 0.050 . 1 . . . . . 50 SER CB . 27469 1 222 . 1 1 50 50 SER N N 15 111.61 0.050 . 1 . . . . . 50 SER N . 27469 1 223 . 1 1 51 51 ALA H H 1 8.04 0.005 . 1 . . . . . 51 ALA HN . 27469 1 224 . 1 1 51 51 ALA C C 13 178.41 0.050 . 1 . . . . . 51 ALA C . 27469 1 225 . 1 1 51 51 ALA CA C 13 53.38 0.050 . 1 . . . . . 51 ALA CA . 27469 1 226 . 1 1 51 51 ALA CB C 13 18.72 0.050 . 1 . . . . . 51 ALA CB . 27469 1 227 . 1 1 51 51 ALA N N 15 125.98 0.050 . 1 . . . . . 51 ALA N . 27469 1 228 . 1 1 52 52 GLY H H 1 9.31 0.005 . 1 . . . . . 52 GLY HN . 27469 1 229 . 1 1 52 52 GLY C C 13 173.19 0.050 . 1 . . . . . 52 GLY C . 27469 1 230 . 1 1 52 52 GLY CA C 13 48.24 0.050 . 1 . . . . . 52 GLY CA . 27469 1 231 . 1 1 52 52 GLY N N 15 115.25 0.050 . 1 . . . . . 52 GLY N . 27469 1 232 . 1 1 53 53 LEU H H 1 6.30 0.005 . 1 . . . . . 53 LEU HN . 27469 1 233 . 1 1 53 53 LEU C C 13 174.50 0.050 . 1 . . . . . 53 LEU C . 27469 1 234 . 1 1 53 53 LEU CA C 13 54.91 0.050 . 1 . . . . . 53 LEU CA . 27469 1 235 . 1 1 53 53 LEU CB C 13 42.57 0.050 . 1 . . . . . 53 LEU CB . 27469 1 236 . 1 1 53 53 LEU N N 15 117.27 0.050 . 1 . . . . . 53 LEU N . 27469 1 237 . 1 1 54 54 ILE H H 1 8.21 0.005 . 1 . . . . . 54 ILE HN . 27469 1 238 . 1 1 54 54 ILE C C 13 173.73 0.050 . 1 . . . . . 54 ILE C . 27469 1 239 . 1 1 54 54 ILE CA C 13 61.24 0.050 . 1 . . . . . 54 ILE CA . 27469 1 240 . 1 1 54 54 ILE CB C 13 39.47 0.050 . 1 . . . . . 54 ILE CB . 27469 1 241 . 1 1 54 54 ILE N N 15 126.73 0.050 . 1 . . . . . 54 ILE N . 27469 1 242 . 1 1 55 55 ILE H H 1 8.08 0.005 . 1 . . . . . 55 ILE HN . 27469 1 243 . 1 1 55 55 ILE C C 13 175.33 0.050 . 1 . . . . . 55 ILE C . 27469 1 244 . 1 1 55 55 ILE CA C 13 60.23 0.050 . 1 . . . . . 55 ILE CA . 27469 1 245 . 1 1 55 55 ILE CB C 13 36.38 0.050 . 1 . . . . . 55 ILE CB . 27469 1 246 . 1 1 55 55 ILE N N 15 130.36 0.050 . 1 . . . . . 55 ILE N . 27469 1 247 . 1 1 56 56 SER H H 1 9.05 0.005 . 1 . . . . . 56 SER HN . 27469 1 248 . 1 1 56 56 SER C C 13 170.56 0.050 . 1 . . . . . 56 SER C . 27469 1 249 . 1 1 56 56 SER CA C 13 59.44 0.050 . 1 . . . . . 56 SER CA . 27469 1 250 . 1 1 56 56 SER CB C 13 64.33 0.050 . 1 . . . . . 56 SER CB . 27469 1 251 . 1 1 56 56 SER N N 15 123.18 0.050 . 1 . . . . . 56 SER N . 27469 1 252 . 1 1 57 57 GLU H H 1 7.98 0.005 . 1 . . . . . 57 GLU HN . 27469 1 253 . 1 1 57 57 GLU C C 13 174.96 0.050 . 1 . . . . . 57 GLU C . 27469 1 254 . 1 1 57 57 GLU CA C 13 54.92 0.050 . 1 . . . . . 57 GLU CA . 27469 1 255 . 1 1 57 57 GLU CB C 13 32.38 0.050 . 1 . . . . . 57 GLU CB . 27469 1 256 . 1 1 57 57 GLU N N 15 111.73 0.050 . 1 . . . . . 57 GLU N . 27469 1 257 . 1 1 58 58 ALA H H 1 6.02 0.005 . 1 . . . . . 58 ALA HN . 27469 1 258 . 1 1 58 58 ALA C C 13 176.31 0.050 . 1 . . . . . 58 ALA C . 27469 1 259 . 1 1 58 58 ALA CA C 13 53.64 0.050 . 1 . . . . . 58 ALA CA . 27469 1 260 . 1 1 58 58 ALA CB C 13 15.10 0.050 . 1 . . . . . 58 ALA CB . 27469 1 261 . 1 1 58 58 ALA N N 15 125.12 0.050 . 1 . . . . . 58 ALA N . 27469 1 262 . 1 1 59 59 THR H H 1 8.56 0.005 . 1 . . . . . 59 THR HN . 27469 1 263 . 1 1 59 59 THR C C 13 176.08 0.050 . 1 . . . . . 59 THR C . 27469 1 264 . 1 1 59 59 THR CA C 13 61.85 0.050 . 1 . . . . . 59 THR CA . 27469 1 265 . 1 1 59 59 THR CB C 13 70.51 0.050 . 1 . . . . . 59 THR CB . 27469 1 266 . 1 1 59 59 THR N N 15 119.40 0.050 . 1 . . . . . 59 THR N . 27469 1 267 . 1 1 60 60 GLN H H 1 9.73 0.005 . 1 . . . . . 60 GLN HN . 27469 1 268 . 1 1 60 60 GLN C C 13 178.21 0.050 . 1 . . . . . 60 GLN C . 27469 1 269 . 1 1 60 60 GLN CA C 13 60.80 0.050 . 1 . . . . . 60 GLN CA . 27469 1 270 . 1 1 60 60 GLN CB C 13 31.91 0.050 . 1 . . . . . 60 GLN CB . 27469 1 271 . 1 1 60 60 GLN N N 15 125.42 0.050 . 1 . . . . . 60 GLN N . 27469 1 272 . 1 1 61 61 ILE H H 1 6.97 0.005 . 1 . . . . . 61 ILE HN . 27469 1 273 . 1 1 61 61 ILE C C 13 172.61 0.050 . 1 . . . . . 61 ILE C . 27469 1 274 . 1 1 61 61 ILE CA C 13 61.75 0.050 . 1 . . . . . 61 ILE CA . 27469 1 275 . 1 1 61 61 ILE CB C 13 37.48 0.050 . 1 . . . . . 61 ILE CB . 27469 1 276 . 1 1 61 61 ILE N N 15 110.35 0.050 . 1 . . . . . 61 ILE N . 27469 1 277 . 1 1 62 62 SER H H 1 7.16 0.005 . 1 . . . . . 62 SER HN . 27469 1 278 . 1 1 62 62 SER C C 13 172.55 0.050 . 1 . . . . . 62 SER C . 27469 1 279 . 1 1 62 62 SER CA C 13 56.01 0.050 . 1 . . . . . 62 SER CA . 27469 1 280 . 1 1 62 62 SER CB C 13 63.97 0.050 . 1 . . . . . 62 SER CB . 27469 1 281 . 1 1 62 62 SER N N 15 112.48 0.050 . 1 . . . . . 62 SER N . 27469 1 282 . 1 1 63 63 ALA H H 1 8.36 0.005 . 1 . . . . . 63 ALA HN . 27469 1 283 . 1 1 63 63 ALA C C 13 181.63 0.050 . 1 . . . . . 63 ALA C . 27469 1 284 . 1 1 63 63 ALA CA C 13 54.49 0.050 . 1 . . . . . 63 ALA CA . 27469 1 285 . 1 1 63 63 ALA CB C 13 16.87 0.050 . 1 . . . . . 63 ALA CB . 27469 1 286 . 1 1 63 63 ALA N N 15 121.61 0.050 . 1 . . . . . 63 ALA N . 27469 1 287 . 1 1 64 64 GLN H H 1 8.09 0.005 . 1 . . . . . 64 GLN HN . 27469 1 288 . 1 1 64 64 GLN C C 13 174.70 0.050 . 1 . . . . . 64 GLN C . 27469 1 289 . 1 1 64 64 GLN CA C 13 57.07 0.050 . 1 . . . . . 64 GLN CA . 27469 1 290 . 1 1 64 64 GLN CB C 13 29.72 0.050 . 1 . . . . . 64 GLN CB . 27469 1 291 . 1 1 64 64 GLN N N 15 120.48 0.050 . 1 . . . . . 64 GLN N . 27469 1 292 . 1 1 65 65 ALA H H 1 7.12 0.005 . 1 . . . . . 65 ALA HN . 27469 1 293 . 1 1 65 65 ALA C C 13 177.18 0.050 . 1 . . . . . 65 ALA C . 27469 1 294 . 1 1 65 65 ALA CA C 13 51.13 0.050 . 1 . . . . . 65 ALA CA . 27469 1 295 . 1 1 65 65 ALA CB C 13 21.18 0.050 . 1 . . . . . 65 ALA CB . 27469 1 296 . 1 1 65 65 ALA N N 15 116.55 0.050 . 1 . . . . . 65 ALA N . 27469 1 297 . 1 1 66 66 LYS H H 1 7.02 0.005 . 1 . . . . . 66 LYS HN . 27469 1 298 . 1 1 66 66 LYS C C 13 174.36 0.050 . 1 . . . . . 66 LYS C . 27469 1 299 . 1 1 66 66 LYS CA C 13 58.20 0.050 . 1 . . . . . 66 LYS CA . 27469 1 300 . 1 1 66 66 LYS CB C 13 33.47 0.050 . 1 . . . . . 66 LYS CB . 27469 1 301 . 1 1 66 66 LYS N N 15 120.41 0.050 . 1 . . . . . 66 LYS N . 27469 1 302 . 1 1 67 67 GLY H H 1 8.55 0.005 . 1 . . . . . 67 GLY HN . 27469 1 303 . 1 1 67 67 GLY C C 13 171.13 0.050 . 1 . . . . . 67 GLY C . 27469 1 304 . 1 1 67 67 GLY CA C 13 45.42 0.050 . 1 . . . . . 67 GLY CA . 27469 1 305 . 1 1 67 67 GLY N N 15 114.16 0.050 . 1 . . . . . 67 GLY N . 27469 1 306 . 1 1 68 68 TYR H H 1 7.40 0.005 . 1 . . . . . 68 TYR HN . 27469 1 307 . 1 1 68 68 TYR C C 13 176.17 0.050 . 1 . . . . . 68 TYR C . 27469 1 308 . 1 1 68 68 TYR CA C 13 55.47 0.050 . 1 . . . . . 68 TYR CA . 27469 1 309 . 1 1 68 68 TYR CB C 13 41.66 0.050 . 1 . . . . . 68 TYR CB . 27469 1 310 . 1 1 68 68 TYR N N 15 117.80 0.050 . 1 . . . . . 68 TYR N . 27469 1 311 . 1 1 69 69 ALA H H 1 8.70 0.005 . 1 . . . . . 69 ALA HN . 27469 1 312 . 1 1 69 69 ALA C C 13 177.17 0.050 . 1 . . . . . 69 ALA C . 27469 1 313 . 1 1 69 69 ALA CA C 13 52.68 0.050 . 1 . . . . . 69 ALA CA . 27469 1 314 . 1 1 69 69 ALA CB C 13 19.43 0.050 . 1 . . . . . 69 ALA CB . 27469 1 315 . 1 1 69 69 ALA N N 15 125.28 0.050 . 1 . . . . . 69 ALA N . 27469 1 316 . 1 1 70 70 GLY H H 1 8.50 0.005 . 1 . . . . . 70 GLY HN . 27469 1 317 . 1 1 70 70 GLY C C 13 175.18 0.050 . 1 . . . . . 70 GLY C . 27469 1 318 . 1 1 70 70 GLY CA C 13 45.03 0.050 . 1 . . . . . 70 GLY CA . 27469 1 319 . 1 1 70 70 GLY N N 15 111.79 0.050 . 1 . . . . . 70 GLY N . 27469 1 320 . 1 1 71 71 ALA H H 1 7.30 0.005 . 1 . . . . . 71 ALA HN . 27469 1 321 . 1 1 71 71 ALA C C 13 176.75 0.050 . 1 . . . . . 71 ALA C . 27469 1 322 . 1 1 71 71 ALA CA C 13 49.24 0.050 . 1 . . . . . 71 ALA CA . 27469 1 323 . 1 1 71 71 ALA CB C 13 19.25 0.050 . 1 . . . . . 71 ALA CB . 27469 1 324 . 1 1 71 71 ALA N N 15 127.52 0.050 . 1 . . . . . 71 ALA N . 27469 1 325 . 1 1 72 72 PRO C C 13 175.77 0.050 . 1 . . . . . 72 PRO C . 27469 1 326 . 1 1 72 72 PRO CA C 13 63.18 0.050 . 1 . . . . . 72 PRO CA . 27469 1 327 . 1 1 72 72 PRO CB C 13 32.08 0.050 . 1 . . . . . 72 PRO CB . 27469 1 328 . 1 1 73 73 GLY H H 1 7.84 0.005 . 1 . . . . . 73 GLY HN . 27469 1 329 . 1 1 73 73 GLY C C 13 173.76 0.050 . 1 . . . . . 73 GLY C . 27469 1 330 . 1 1 73 73 GLY CA C 13 44.38 0.050 . 1 . . . . . 73 GLY CA . 27469 1 331 . 1 1 73 73 GLY N N 15 102.21 0.050 . 1 . . . . . 73 GLY N . 27469 1 332 . 1 1 74 74 LEU H H 1 8.10 0.005 . 1 . . . . . 74 LEU HN . 27469 1 333 . 1 1 74 74 LEU C C 13 174.52 0.050 . 1 . . . . . 74 LEU C . 27469 1 334 . 1 1 74 74 LEU CA C 13 52.41 0.050 . 1 . . . . . 74 LEU CA . 27469 1 335 . 1 1 74 74 LEU CB C 13 42.73 0.050 . 1 . . . . . 74 LEU CB . 27469 1 336 . 1 1 74 74 LEU N N 15 120.43 0.050 . 1 . . . . . 74 LEU N . 27469 1 337 . 1 1 75 75 HIS H H 1 9.14 0.005 . 1 . . . . . 75 HIS HN . 27469 1 338 . 1 1 75 75 HIS C C 13 174.57 0.050 . 1 . . . . . 75 HIS C . 27469 1 339 . 1 1 75 75 HIS CA C 13 54.14 0.050 . 1 . . . . . 75 HIS CA . 27469 1 340 . 1 1 75 75 HIS CB C 13 29.73 0.050 . 1 . . . . . 75 HIS CB . 27469 1 341 . 1 1 75 75 HIS N N 15 115.16 0.050 . 1 . . . . . 75 HIS N . 27469 1 342 . 1 1 76 76 SER H H 1 8.29 0.005 . 1 . . . . . 76 SER HN . 27469 1 343 . 1 1 76 76 SER C C 13 172.77 0.050 . 1 . . . . . 76 SER C . 27469 1 344 . 1 1 76 76 SER CA C 13 54.80 0.050 . 1 . . . . . 76 SER CA . 27469 1 345 . 1 1 76 76 SER CB C 13 64.38 0.050 . 1 . . . . . 76 SER CB . 27469 1 346 . 1 1 76 76 SER N N 15 122.24 0.050 . 1 . . . . . 76 SER N . 27469 1 347 . 1 1 77 77 PRO C C 13 180.13 0.050 . 1 . . . . . 77 PRO C . 27469 1 348 . 1 1 77 77 PRO CA C 13 65.13 0.050 . 1 . . . . . 77 PRO CA . 27469 1 349 . 1 1 77 77 PRO CB C 13 31.04 0.050 . 1 . . . . . 77 PRO CB . 27469 1 350 . 1 1 78 78 GLU H H 1 9.17 0.005 . 1 . . . . . 78 GLU HN . 27469 1 351 . 1 1 78 78 GLU C C 13 180.69 0.050 . 1 . . . . . 78 GLU C . 27469 1 352 . 1 1 78 78 GLU CA C 13 59.71 0.050 . 1 . . . . . 78 GLU CA . 27469 1 353 . 1 1 78 78 GLU CB C 13 27.97 0.050 . 1 . . . . . 78 GLU CB . 27469 1 354 . 1 1 78 78 GLU N N 15 118.75 0.050 . 1 . . . . . 78 GLU N . 27469 1 355 . 1 1 79 79 GLN H H 1 7.85 0.005 . 1 . . . . . 79 GLN HN . 27469 1 356 . 1 1 79 79 GLN C C 13 178.50 0.050 . 1 . . . . . 79 GLN C . 27469 1 357 . 1 1 79 79 GLN CA C 13 58.98 0.050 . 1 . . . . . 79 GLN CA . 27469 1 358 . 1 1 79 79 GLN CB C 13 25.88 0.050 . 1 . . . . . 79 GLN CB . 27469 1 359 . 1 1 79 79 GLN N N 15 120.97 0.050 . 1 . . . . . 79 GLN N . 27469 1 360 . 1 1 80 80 ILE H H 1 8.32 0.005 . 1 . . . . . 80 ILE HN . 27469 1 361 . 1 1 80 80 ILE C C 13 177.42 0.050 . 1 . . . . . 80 ILE C . 27469 1 362 . 1 1 80 80 ILE CA C 13 66.37 0.050 . 1 . . . . . 80 ILE CA . 27469 1 363 . 1 1 80 80 ILE CB C 13 38.13 0.050 . 1 . . . . . 80 ILE CB . 27469 1 364 . 1 1 80 80 ILE N N 15 120.15 0.050 . 1 . . . . . 80 ILE N . 27469 1 365 . 1 1 81 81 ALA H H 1 8.08 0.005 . 1 . . . . . 81 ALA HN . 27469 1 366 . 1 1 81 81 ALA C C 13 180.30 0.050 . 1 . . . . . 81 ALA C . 27469 1 367 . 1 1 81 81 ALA CA C 13 54.71 0.050 . 1 . . . . . 81 ALA CA . 27469 1 368 . 1 1 81 81 ALA CB C 13 17.42 0.050 . 1 . . . . . 81 ALA CB . 27469 1 369 . 1 1 81 81 ALA N N 15 119.51 0.050 . 1 . . . . . 81 ALA N . 27469 1 370 . 1 1 82 82 ALA H H 1 7.46 0.005 . 1 . . . . . 82 ALA HN . 27469 1 371 . 1 1 82 82 ALA C C 13 181.93 0.050 . 1 . . . . . 82 ALA C . 27469 1 372 . 1 1 82 82 ALA CA C 13 54.54 0.050 . 1 . . . . . 82 ALA CA . 27469 1 373 . 1 1 82 82 ALA CB C 13 18.84 0.050 . 1 . . . . . 82 ALA CB . 27469 1 374 . 1 1 82 82 ALA N N 15 120.55 0.050 . 1 . . . . . 82 ALA N . 27469 1 375 . 1 1 83 83 TRP H H 1 9.05 0.005 . 1 . . . . . 83 TRP HN . 27469 1 376 . 1 1 83 83 TRP C C 13 178.81 0.050 . 1 . . . . . 83 TRP C . 27469 1 377 . 1 1 83 83 TRP CA C 13 60.21 0.050 . 1 . . . . . 83 TRP CA . 27469 1 378 . 1 1 83 83 TRP CB C 13 29.57 0.050 . 1 . . . . . 83 TRP CB . 27469 1 379 . 1 1 83 83 TRP N N 15 120.10 0.050 . 1 . . . . . 83 TRP N . 27469 1 380 . 1 1 84 84 LYS H H 1 8.67 0.005 . 1 . . . . . 84 LYS HN . 27469 1 381 . 1 1 84 84 LYS C C 13 179.34 0.050 . 1 . . . . . 84 LYS C . 27469 1 382 . 1 1 84 84 LYS CA C 13 58.67 0.050 . 1 . . . . . 84 LYS CA . 27469 1 383 . 1 1 84 84 LYS CB C 13 32.23 0.050 . 1 . . . . . 84 LYS CB . 27469 1 384 . 1 1 84 84 LYS N N 15 120.73 0.050 . 1 . . . . . 84 LYS N . 27469 1 385 . 1 1 85 85 LYS H H 1 6.94 0.005 . 1 . . . . . 85 LYS HN . 27469 1 386 . 1 1 85 85 LYS C C 13 180.16 0.050 . 1 . . . . . 85 LYS C . 27469 1 387 . 1 1 85 85 LYS CA C 13 58.61 0.050 . 1 . . . . . 85 LYS CA . 27469 1 388 . 1 1 85 85 LYS CB C 13 31.70 0.050 . 1 . . . . . 85 LYS CB . 27469 1 389 . 1 1 85 85 LYS N N 15 115.91 0.050 . 1 . . . . . 85 LYS N . 27469 1 390 . 1 1 86 86 ILE H H 1 7.36 0.005 . 1 . . . . . 86 ILE HN . 27469 1 391 . 1 1 86 86 ILE C C 13 179.59 0.050 . 1 . . . . . 86 ILE C . 27469 1 392 . 1 1 86 86 ILE CA C 13 64.92 0.050 . 1 . . . . . 86 ILE CA . 27469 1 393 . 1 1 86 86 ILE CB C 13 36.84 0.050 . 1 . . . . . 86 ILE CB . 27469 1 394 . 1 1 86 86 ILE N N 15 121.65 0.050 . 1 . . . . . 86 ILE N . 27469 1 395 . 1 1 87 87 THR H H 1 9.34 0.005 . 1 . . . . . 87 THR HN . 27469 1 396 . 1 1 87 87 THR C C 13 177.35 0.050 . 1 . . . . . 87 THR C . 27469 1 397 . 1 1 87 87 THR CA C 13 65.07 0.050 . 1 . . . . . 87 THR CA . 27469 1 398 . 1 1 87 87 THR CB C 13 66.90 0.050 . 1 . . . . . 87 THR CB . 27469 1 399 . 1 1 87 87 THR N N 15 115.14 0.050 . 1 . . . . . 87 THR N . 27469 1 400 . 1 1 88 88 ALA H H 1 7.98 0.005 . 1 . . . . . 88 ALA HN . 27469 1 401 . 1 1 88 88 ALA C C 13 181.55 0.050 . 1 . . . . . 88 ALA C . 27469 1 402 . 1 1 88 88 ALA CA C 13 55.05 0.050 . 1 . . . . . 88 ALA CA . 27469 1 403 . 1 1 88 88 ALA CB C 13 17.19 0.050 . 1 . . . . . 88 ALA CB . 27469 1 404 . 1 1 88 88 ALA N N 15 125.01 0.050 . 1 . . . . . 88 ALA N . 27469 1 405 . 1 1 89 89 GLY H H 1 7.66 0.005 . 1 . . . . . 89 GLY HN . 27469 1 406 . 1 1 89 89 GLY C C 13 175.95 0.050 . 1 . . . . . 89 GLY C . 27469 1 407 . 1 1 89 89 GLY CA C 13 46.55 0.050 . 1 . . . . . 89 GLY CA . 27469 1 408 . 1 1 89 89 GLY N N 15 107.19 0.050 . 1 . . . . . 89 GLY N . 27469 1 409 . 1 1 90 90 VAL H H 1 7.40 0.005 . 1 . . . . . 90 VAL HN . 27469 1 410 . 1 1 90 90 VAL C C 13 179.50 0.050 . 1 . . . . . 90 VAL C . 27469 1 411 . 1 1 90 90 VAL CA C 13 66.34 0.050 . 1 . . . . . 90 VAL CA . 27469 1 412 . 1 1 90 90 VAL CB C 13 30.69 0.050 . 1 . . . . . 90 VAL CB . 27469 1 413 . 1 1 90 90 VAL N N 15 120.90 0.050 . 1 . . . . . 90 VAL N . 27469 1 414 . 1 1 91 91 HIS H H 1 8.53 0.005 . 1 . . . . . 91 HIS HN . 27469 1 415 . 1 1 91 91 HIS C C 13 178.52 0.050 . 1 . . . . . 91 HIS C . 27469 1 416 . 1 1 91 91 HIS CA C 13 57.85 0.050 . 1 . . . . . 91 HIS CA . 27469 1 417 . 1 1 91 91 HIS CB C 13 27.52 0.050 . 1 . . . . . 91 HIS CB . 27469 1 418 . 1 1 91 91 HIS N N 15 120.02 0.050 . 1 . . . . . 91 HIS N . 27469 1 419 . 1 1 92 92 ALA H H 1 8.49 0.005 . 1 . . . . . 92 ALA HN . 27469 1 420 . 1 1 92 92 ALA C C 13 178.56 0.050 . 1 . . . . . 92 ALA C . 27469 1 421 . 1 1 92 92 ALA CA C 13 54.30 0.050 . 1 . . . . . 92 ALA CA . 27469 1 422 . 1 1 92 92 ALA CB C 13 17.06 0.050 . 1 . . . . . 92 ALA CB . 27469 1 423 . 1 1 92 92 ALA N N 15 125.33 0.050 . 1 . . . . . 92 ALA N . 27469 1 424 . 1 1 93 93 GLU H H 1 6.92 0.005 . 1 . . . . . 93 GLU HN . 27469 1 425 . 1 1 93 93 GLU C C 13 175.35 0.050 . 1 . . . . . 93 GLU C . 27469 1 426 . 1 1 93 93 GLU CA C 13 54.05 0.050 . 1 . . . . . 93 GLU CA . 27469 1 427 . 1 1 93 93 GLU CB C 13 28.65 0.050 . 1 . . . . . 93 GLU CB . 27469 1 428 . 1 1 93 93 GLU N N 15 116.81 0.050 . 1 . . . . . 93 GLU N . 27469 1 429 . 1 1 94 94 ASP H H 1 8.10 0.005 . 1 . . . . . 94 ASP HN . 27469 1 430 . 1 1 94 94 ASP C C 13 175.21 0.050 . 1 . . . . . 94 ASP C . 27469 1 431 . 1 1 94 94 ASP CA C 13 55.27 0.050 . 1 . . . . . 94 ASP CA . 27469 1 432 . 1 1 94 94 ASP CB C 13 38.98 0.050 . 1 . . . . . 94 ASP CB . 27469 1 433 . 1 1 94 94 ASP N N 15 116.54 0.050 . 1 . . . . . 94 ASP N . 27469 1 434 . 1 1 95 95 GLY H H 1 8.00 0.005 . 1 . . . . . 95 GLY HN . 27469 1 435 . 1 1 95 95 GLY C C 13 174.10 0.050 . 1 . . . . . 95 GLY C . 27469 1 436 . 1 1 95 95 GLY CA C 13 44.30 0.050 . 1 . . . . . 95 GLY CA . 27469 1 437 . 1 1 95 95 GLY N N 15 103.71 0.050 . 1 . . . . . 95 GLY N . 27469 1 438 . 1 1 96 96 ARG H H 1 9.19 0.005 . 1 . . . . . 96 ARG HN . 27469 1 439 . 1 1 96 96 ARG C C 13 174.08 0.050 . 1 . . . . . 96 ARG C . 27469 1 440 . 1 1 96 96 ARG CA C 13 55.15 0.050 . 1 . . . . . 96 ARG CA . 27469 1 441 . 1 1 96 96 ARG CB C 13 33.68 0.050 . 1 . . . . . 96 ARG CB . 27469 1 442 . 1 1 96 96 ARG N N 15 118.73 0.050 . 1 . . . . . 96 ARG N . 27469 1 443 . 1 1 97 97 ILE H H 1 9.87 0.005 . 1 . . . . . 97 ILE HN . 27469 1 444 . 1 1 97 97 ILE C C 13 171.54 0.050 . 1 . . . . . 97 ILE C . 27469 1 445 . 1 1 97 97 ILE CA C 13 57.61 0.050 . 1 . . . . . 97 ILE CA . 27469 1 446 . 1 1 97 97 ILE CB C 13 41.76 0.050 . 1 . . . . . 97 ILE CB . 27469 1 447 . 1 1 97 97 ILE N N 15 120.24 0.050 . 1 . . . . . 97 ILE N . 27469 1 448 . 1 1 98 98 ALA H H 1 9.72 0.005 . 1 . . . . . 98 ALA HN . 27469 1 449 . 1 1 98 98 ALA C C 13 175.66 0.050 . 1 . . . . . 98 ALA C . 27469 1 450 . 1 1 98 98 ALA CA C 13 47.97 0.050 . 1 . . . . . 98 ALA CA . 27469 1 451 . 1 1 98 98 ALA CB C 13 21.72 0.050 . 1 . . . . . 98 ALA CB . 27469 1 452 . 1 1 98 98 ALA N N 15 132.42 0.050 . 1 . . . . . 98 ALA N . 27469 1 453 . 1 1 99 99 VAL H H 1 7.45 0.005 . 1 . . . . . 99 VAL HN . 27469 1 454 . 1 1 99 99 VAL C C 13 173.57 0.050 . 1 . . . . . 99 VAL C . 27469 1 455 . 1 1 99 99 VAL CA C 13 55.31 0.050 . 1 . . . . . 99 VAL CA . 27469 1 456 . 1 1 99 99 VAL CB C 13 29.57 0.050 . 1 . . . . . 99 VAL CB . 27469 1 457 . 1 1 99 99 VAL N N 15 119.65 0.050 . 1 . . . . . 99 VAL N . 27469 1 458 . 1 1 100 100 GLN H H 1 7.24 0.005 . 1 . . . . . 100 GLN HN . 27469 1 459 . 1 1 100 100 GLN C C 13 174.32 0.050 . 1 . . . . . 100 GLN C . 27469 1 460 . 1 1 100 100 GLN CA C 13 53.66 0.050 . 1 . . . . . 100 GLN CA . 27469 1 461 . 1 1 100 100 GLN CB C 13 28.14 0.050 . 1 . . . . . 100 GLN CB . 27469 1 462 . 1 1 100 100 GLN N N 15 127.92 0.050 . 1 . . . . . 100 GLN N . 27469 1 463 . 1 1 101 101 LEU H H 1 8.82 0.005 . 1 . . . . . 101 LEU HN . 27469 1 464 . 1 1 101 101 LEU C C 13 176.26 0.050 . 1 . . . . . 101 LEU C . 27469 1 465 . 1 1 101 101 LEU CA C 13 52.54 0.050 . 1 . . . . . 101 LEU CA . 27469 1 466 . 1 1 101 101 LEU CB C 13 43.34 0.050 . 1 . . . . . 101 LEU CB . 27469 1 467 . 1 1 101 101 LEU N N 15 128.23 0.050 . 1 . . . . . 101 LEU N . 27469 1 468 . 1 1 102 102 TRP H H 1 8.94 0.005 . 1 . . . . . 102 TRP HN . 27469 1 469 . 1 1 102 102 TRP C C 13 173.44 0.050 . 1 . . . . . 102 TRP C . 27469 1 470 . 1 1 102 102 TRP CA C 13 52.70 0.050 . 1 . . . . . 102 TRP CA . 27469 1 471 . 1 1 102 102 TRP CB C 13 35.63 0.050 . 1 . . . . . 102 TRP CB . 27469 1 472 . 1 1 102 102 TRP N N 15 117.70 0.050 . 1 . . . . . 102 TRP N . 27469 1 473 . 1 1 103 103 HIS H H 1 7.96 0.005 . 1 . . . . . 103 HIS HN . 27469 1 474 . 1 1 103 103 HIS C C 13 177.92 0.050 . 1 . . . . . 103 HIS C . 27469 1 475 . 1 1 103 103 HIS CA C 13 56.20 0.050 . 1 . . . . . 103 HIS CA . 27469 1 476 . 1 1 103 103 HIS CB C 13 33.93 0.050 . 1 . . . . . 103 HIS CB . 27469 1 477 . 1 1 103 103 HIS N N 15 118.79 0.050 . 1 . . . . . 103 HIS N . 27469 1 478 . 1 1 104 104 THR H H 1 8.37 0.005 . 1 . . . . . 104 THR HN . 27469 1 479 . 1 1 104 104 THR C C 13 177.75 0.050 . 1 . . . . . 104 THR C . 27469 1 480 . 1 1 104 104 THR CA C 13 64.44 0.050 . 1 . . . . . 104 THR CA . 27469 1 481 . 1 1 104 104 THR CB C 13 67.95 0.050 . 1 . . . . . 104 THR CB . 27469 1 482 . 1 1 104 104 THR N N 15 120.11 0.050 . 1 . . . . . 104 THR N . 27469 1 483 . 1 1 105 105 GLY H H 1 11.02 0.005 . 1 . . . . . 105 GLY HN . 27469 1 484 . 1 1 105 105 GLY C C 13 174.57 0.050 . 1 . . . . . 105 GLY C . 27469 1 485 . 1 1 105 105 GLY CA C 13 47.72 0.050 . 1 . . . . . 105 GLY CA . 27469 1 486 . 1 1 105 105 GLY N N 15 119.55 0.050 . 1 . . . . . 105 GLY N . 27469 1 487 . 1 1 106 106 ARG H H 1 8.04 0.005 . 1 . . . . . 106 ARG HN . 27469 1 488 . 1 1 106 106 ARG C C 13 175.88 0.050 . 1 . . . . . 106 ARG C . 27469 1 489 . 1 1 106 106 ARG CA C 13 56.95 0.050 . 1 . . . . . 106 ARG CA . 27469 1 490 . 1 1 106 106 ARG CB C 13 29.56 0.050 . 1 . . . . . 106 ARG CB . 27469 1 491 . 1 1 106 106 ARG N N 15 118.81 0.050 . 1 . . . . . 106 ARG N . 27469 1 492 . 1 1 107 107 ILE H H 1 7.50 0.005 . 1 . . . . . 107 ILE HN . 27469 1 493 . 1 1 107 107 ILE C C 13 171.20 0.050 . 1 . . . . . 107 ILE C . 27469 1 494 . 1 1 107 107 ILE CA C 13 61.29 0.050 . 1 . . . . . 107 ILE CA . 27469 1 495 . 1 1 107 107 ILE CB C 13 32.86 0.050 . 1 . . . . . 107 ILE CB . 27469 1 496 . 1 1 107 107 ILE N N 15 126.54 0.050 . 1 . . . . . 107 ILE N . 27469 1 497 . 1 1 108 108 SER H H 1 6.82 0.005 . 1 . . . . . 108 SER HN . 27469 1 498 . 1 1 108 108 SER C C 13 172.98 0.050 . 1 . . . . . 108 SER C . 27469 1 499 . 1 1 108 108 SER CA C 13 55.03 0.050 . 1 . . . . . 108 SER CA . 27469 1 500 . 1 1 108 108 SER CB C 13 62.00 0.050 . 1 . . . . . 108 SER CB . 27469 1 501 . 1 1 108 108 SER N N 15 111.77 0.050 . 1 . . . . . 108 SER N . 27469 1 502 . 1 1 109 109 HIS H H 1 8.04 0.005 . 1 . . . . . 109 HIS HN . 27469 1 503 . 1 1 109 109 HIS C C 13 175.68 0.050 . 1 . . . . . 109 HIS C . 27469 1 504 . 1 1 109 109 HIS CA C 13 55.20 0.050 . 1 . . . . . 109 HIS CA . 27469 1 505 . 1 1 109 109 HIS CB C 13 36.11 0.050 . 1 . . . . . 109 HIS CB . 27469 1 506 . 1 1 109 109 HIS N N 15 120.15 0.050 . 1 . . . . . 109 HIS N . 27469 1 507 . 1 1 110 110 SER H H 1 7.99 0.005 . 1 . . . . . 110 SER HN . 27469 1 508 . 1 1 110 110 SER C C 13 175.65 0.050 . 1 . . . . . 110 SER C . 27469 1 509 . 1 1 110 110 SER CA C 13 60.59 0.050 . 1 . . . . . 110 SER CA . 27469 1 510 . 1 1 110 110 SER CB C 13 61.87 0.050 . 1 . . . . . 110 SER CB . 27469 1 511 . 1 1 110 110 SER N N 15 122.15 0.050 . 1 . . . . . 110 SER N . 27469 1 512 . 1 1 111 111 SER H H 1 9.29 0.005 . 1 . . . . . 111 SER HN . 27469 1 513 . 1 1 111 111 SER C C 13 176.69 0.050 . 1 . . . . . 111 SER C . 27469 1 514 . 1 1 111 111 SER CA C 13 61.28 0.050 . 1 . . . . . 111 SER CA . 27469 1 515 . 1 1 111 111 SER CB C 13 62.44 0.050 . 1 . . . . . 111 SER CB . 27469 1 516 . 1 1 111 111 SER N N 15 117.95 0.050 . 1 . . . . . 111 SER N . 27469 1 517 . 1 1 112 112 ILE H H 1 7.46 0.005 . 1 . . . . . 112 ILE HN . 27469 1 518 . 1 1 112 112 ILE C C 13 175.56 0.050 . 1 . . . . . 112 ILE C . 27469 1 519 . 1 1 112 112 ILE CA C 13 59.84 0.050 . 1 . . . . . 112 ILE CA . 27469 1 520 . 1 1 112 112 ILE CB C 13 37.16 0.050 . 1 . . . . . 112 ILE CB . 27469 1 521 . 1 1 112 112 ILE N N 15 113.84 0.050 . 1 . . . . . 112 ILE N . 27469 1 522 . 1 1 113 113 GLN H H 1 7.31 0.005 . 1 . . . . . 113 GLN HN . 27469 1 523 . 1 1 113 113 GLN C C 13 175.19 0.050 . 1 . . . . . 113 GLN C . 27469 1 524 . 1 1 113 113 GLN CA C 13 52.16 0.050 . 1 . . . . . 113 GLN CA . 27469 1 525 . 1 1 113 113 GLN CB C 13 30.99 0.050 . 1 . . . . . 113 GLN CB . 27469 1 526 . 1 1 113 113 GLN N N 15 121.48 0.050 . 1 . . . . . 113 GLN N . 27469 1 527 . 1 1 115 115 GLY C C 13 175.27 0.050 . 1 . . . . . 115 GLY C . 27469 1 528 . 1 1 115 115 GLY CA C 13 45.83 0.050 . 1 . . . . . 115 GLY CA . 27469 1 529 . 1 1 116 116 GLY H H 1 8.29 0.005 . 1 . . . . . 116 GLY HN . 27469 1 530 . 1 1 116 116 GLY C C 13 175.42 0.050 . 1 . . . . . 116 GLY C . 27469 1 531 . 1 1 116 116 GLY CA C 13 45.77 0.050 . 1 . . . . . 116 GLY CA . 27469 1 532 . 1 1 116 116 GLY N N 15 110.08 0.050 . 1 . . . . . 116 GLY N . 27469 1 533 . 1 1 117 117 GLN H H 1 6.61 0.005 . 1 . . . . . 117 GLN HN . 27469 1 534 . 1 1 117 117 GLN C C 13 173.12 0.050 . 1 . . . . . 117 GLN C . 27469 1 535 . 1 1 117 117 GLN CA C 13 54.50 0.050 . 1 . . . . . 117 GLN CA . 27469 1 536 . 1 1 117 117 GLN CB C 13 30.08 0.050 . 1 . . . . . 117 GLN CB . 27469 1 537 . 1 1 117 117 GLN N N 15 117.05 0.050 . 1 . . . . . 117 GLN N . 27469 1 538 . 1 1 118 118 ALA H H 1 7.73 0.005 . 1 . . . . . 118 ALA HN . 27469 1 539 . 1 1 118 118 ALA C C 13 176.43 0.050 . 1 . . . . . 118 ALA C . 27469 1 540 . 1 1 118 118 ALA CA C 13 50.58 0.050 . 1 . . . . . 118 ALA CA . 27469 1 541 . 1 1 118 118 ALA CB C 13 16.33 0.050 . 1 . . . . . 118 ALA CB . 27469 1 542 . 1 1 118 118 ALA N N 15 118.76 0.050 . 1 . . . . . 118 ALA N . 27469 1 543 . 1 1 119 119 PRO C C 13 173.39 0.050 . 1 . . . . . 119 PRO C . 27469 1 544 . 1 1 119 119 PRO CA C 13 61.59 0.050 . 1 . . . . . 119 PRO CA . 27469 1 545 . 1 1 119 119 PRO CB C 13 32.35 0.050 . 1 . . . . . 119 PRO CB . 27469 1 546 . 1 1 120 120 VAL H H 1 8.65 0.005 . 1 . . . . . 120 VAL HN . 27469 1 547 . 1 1 120 120 VAL C C 13 175.01 0.050 . 1 . . . . . 120 VAL C . 27469 1 548 . 1 1 120 120 VAL CA C 13 58.62 0.050 . 1 . . . . . 120 VAL CA . 27469 1 549 . 1 1 120 120 VAL CB C 13 33.67 0.050 . 1 . . . . . 120 VAL CB . 27469 1 550 . 1 1 120 120 VAL N N 15 109.90 0.050 . 1 . . . . . 120 VAL N . 27469 1 551 . 1 1 121 121 SER H H 1 7.53 0.005 . 1 . . . . . 121 SER HN . 27469 1 552 . 1 1 121 121 SER C C 13 173.99 0.050 . 1 . . . . . 121 SER C . 27469 1 553 . 1 1 121 121 SER CA C 13 55.28 0.050 . 1 . . . . . 121 SER CA . 27469 1 554 . 1 1 121 121 SER CB C 13 63.16 0.050 . 1 . . . . . 121 SER CB . 27469 1 555 . 1 1 121 121 SER N N 15 106.38 0.050 . 1 . . . . . 121 SER N . 27469 1 556 . 1 1 122 122 ALA H H 1 7.66 0.005 . 1 . . . . . 122 ALA HN . 27469 1 557 . 1 1 122 122 ALA C C 13 176.51 0.050 . 1 . . . . . 122 ALA C . 27469 1 558 . 1 1 122 122 ALA CA C 13 55.01 0.050 . 1 . . . . . 122 ALA CA . 27469 1 559 . 1 1 122 122 ALA CB C 13 15.89 0.050 . 1 . . . . . 122 ALA CB . 27469 1 560 . 1 1 122 122 ALA N N 15 122.66 0.050 . 1 . . . . . 122 ALA N . 27469 1 561 . 1 1 123 123 SER H H 1 6.91 0.005 . 1 . . . . . 123 SER HN . 27469 1 562 . 1 1 123 123 SER C C 13 171.82 0.050 . 1 . . . . . 123 SER C . 27469 1 563 . 1 1 123 123 SER CA C 13 56.32 0.050 . 1 . . . . . 123 SER CA . 27469 1 564 . 1 1 123 123 SER CB C 13 66.82 0.050 . 1 . . . . . 123 SER CB . 27469 1 565 . 1 1 123 123 SER N N 15 105.94 0.050 . 1 . . . . . 123 SER N . 27469 1 566 . 1 1 124 124 ALA H H 1 8.86 0.005 . 1 . . . . . 124 ALA HN . 27469 1 567 . 1 1 124 124 ALA C C 13 175.43 0.050 . 1 . . . . . 124 ALA C . 27469 1 568 . 1 1 124 124 ALA CA C 13 50.75 0.050 . 1 . . . . . 124 ALA CA . 27469 1 569 . 1 1 124 124 ALA CB C 13 16.00 0.050 . 1 . . . . . 124 ALA CB . 27469 1 570 . 1 1 124 124 ALA N N 15 128.09 0.050 . 1 . . . . . 124 ALA N . 27469 1 571 . 1 1 125 125 LEU H H 1 7.09 0.005 . 1 . . . . . 125 LEU HN . 27469 1 572 . 1 1 125 125 LEU C C 13 174.97 0.050 . 1 . . . . . 125 LEU C . 27469 1 573 . 1 1 125 125 LEU CA C 13 52.40 0.050 . 1 . . . . . 125 LEU CA . 27469 1 574 . 1 1 125 125 LEU CB C 13 43.15 0.050 . 1 . . . . . 125 LEU CB . 27469 1 575 . 1 1 125 125 LEU N N 15 123.11 0.050 . 1 . . . . . 125 LEU N . 27469 1 576 . 1 1 126 126 ASN H H 1 8.84 0.005 . 1 . . . . . 126 ASN HN . 27469 1 577 . 1 1 126 126 ASN C C 13 174.65 0.050 . 1 . . . . . 126 ASN C . 27469 1 578 . 1 1 126 126 ASN CA C 13 54.48 0.050 . 1 . . . . . 126 ASN CA . 27469 1 579 . 1 1 126 126 ASN CB C 13 38.38 0.050 . 1 . . . . . 126 ASN CB . 27469 1 580 . 1 1 126 126 ASN N N 15 121.99 0.050 . 1 . . . . . 126 ASN N . 27469 1 581 . 1 1 127 127 ALA H H 1 8.68 0.005 . 1 . . . . . 127 ALA HN . 27469 1 582 . 1 1 127 127 ALA C C 13 177.91 0.050 . 1 . . . . . 127 ALA C . 27469 1 583 . 1 1 127 127 ALA CA C 13 52.95 0.050 . 1 . . . . . 127 ALA CA . 27469 1 584 . 1 1 127 127 ALA CB C 13 19.05 0.050 . 1 . . . . . 127 ALA CB . 27469 1 585 . 1 1 127 127 ALA N N 15 126.48 0.050 . 1 . . . . . 127 ALA N . 27469 1 586 . 1 1 128 128 ASN H H 1 10.03 0.005 . 1 . . . . . 128 ASN HN . 27469 1 587 . 1 1 128 128 ASN C C 13 173.67 0.050 . 1 . . . . . 128 ASN C . 27469 1 588 . 1 1 128 128 ASN CA C 13 53.14 0.050 . 1 . . . . . 128 ASN CA . 27469 1 589 . 1 1 128 128 ASN CB C 13 36.12 0.050 . 1 . . . . . 128 ASN CB . 27469 1 590 . 1 1 128 128 ASN N N 15 114.43 0.050 . 1 . . . . . 128 ASN N . 27469 1 591 . 1 1 129 129 THR H H 1 6.90 0.005 . 1 . . . . . 129 THR HN . 27469 1 592 . 1 1 129 129 THR C C 13 172.38 0.050 . 1 . . . . . 129 THR C . 27469 1 593 . 1 1 129 129 THR CA C 13 58.57 0.050 . 1 . . . . . 129 THR CA . 27469 1 594 . 1 1 129 129 THR CB C 13 69.24 0.050 . 1 . . . . . 129 THR CB . 27469 1 595 . 1 1 129 129 THR N N 15 109.75 0.050 . 1 . . . . . 129 THR N . 27469 1 596 . 1 1 130 130 ARG H H 1 8.09 0.005 . 1 . . . . . 130 ARG HN . 27469 1 597 . 1 1 130 130 ARG C C 13 175.49 0.050 . 1 . . . . . 130 ARG C . 27469 1 598 . 1 1 130 130 ARG CA C 13 54.64 0.050 . 1 . . . . . 130 ARG CA . 27469 1 599 . 1 1 130 130 ARG N N 15 120.20 0.050 . 1 . . . . . 130 ARG N . 27469 1 600 . 1 1 131 131 THR H H 1 8.73 0.005 . 1 . . . . . 131 THR HN . 27469 1 601 . 1 1 131 131 THR C C 13 173.41 0.050 . 1 . . . . . 131 THR C . 27469 1 602 . 1 1 131 131 THR CA C 13 57.32 0.050 . 1 . . . . . 131 THR CA . 27469 1 603 . 1 1 131 131 THR CB C 13 69.01 0.050 . 1 . . . . . 131 THR CB . 27469 1 604 . 1 1 131 131 THR N N 15 113.92 0.050 . 1 . . . . . 131 THR N . 27469 1 605 . 1 1 132 132 SER H H 1 7.97 0.005 . 1 . . . . . 132 SER HN . 27469 1 606 . 1 1 132 132 SER C C 13 173.58 0.050 . 1 . . . . . 132 SER C . 27469 1 607 . 1 1 132 132 SER CA C 13 56.62 0.050 . 1 . . . . . 132 SER CA . 27469 1 608 . 1 1 132 132 SER CB C 13 64.20 0.050 . 1 . . . . . 132 SER CB . 27469 1 609 . 1 1 132 132 SER N N 15 118.75 0.050 . 1 . . . . . 132 SER N . 27469 1 610 . 1 1 133 133 LEU H H 1 8.67 0.005 . 1 . . . . . 133 LEU HN . 27469 1 611 . 1 1 133 133 LEU C C 13 177.17 0.050 . 1 . . . . . 133 LEU C . 27469 1 612 . 1 1 133 133 LEU CA C 13 52.74 0.050 . 1 . . . . . 133 LEU CA . 27469 1 613 . 1 1 133 133 LEU CB C 13 41.14 0.050 . 1 . . . . . 133 LEU CB . 27469 1 614 . 1 1 133 133 LEU N N 15 124.81 0.050 . 1 . . . . . 133 LEU N . 27469 1 615 . 1 1 134 134 ARG H H 1 8.59 0.005 . 1 . . . . . 134 ARG HN . 27469 1 616 . 1 1 134 134 ARG C C 13 176.58 0.050 . 1 . . . . . 134 ARG C . 27469 1 617 . 1 1 134 134 ARG CA C 13 54.76 0.050 . 1 . . . . . 134 ARG CA . 27469 1 618 . 1 1 134 134 ARG CB C 13 33.97 0.050 . 1 . . . . . 134 ARG CB . 27469 1 619 . 1 1 134 134 ARG N N 15 122.54 0.050 . 1 . . . . . 134 ARG N . 27469 1 620 . 1 1 135 135 ASP H H 1 8.76 0.005 . 1 . . . . . 135 ASP HN . 27469 1 621 . 1 1 135 135 ASP C C 13 178.24 0.050 . 1 . . . . . 135 ASP C . 27469 1 622 . 1 1 135 135 ASP CA C 13 51.60 0.050 . 1 . . . . . 135 ASP CA . 27469 1 623 . 1 1 135 135 ASP CB C 13 40.39 0.050 . 1 . . . . . 135 ASP CB . 27469 1 624 . 1 1 135 135 ASP N N 15 121.74 0.050 . 1 . . . . . 135 ASP N . 27469 1 625 . 1 1 136 136 GLU H H 1 9.15 0.005 . 1 . . . . . 136 GLU HN . 27469 1 626 . 1 1 136 136 GLU C C 13 176.90 0.050 . 1 . . . . . 136 GLU C . 27469 1 627 . 1 1 136 136 GLU CA C 13 58.29 0.050 . 1 . . . . . 136 GLU CA . 27469 1 628 . 1 1 136 136 GLU CB C 13 27.92 0.050 . 1 . . . . . 136 GLU CB . 27469 1 629 . 1 1 136 136 GLU N N 15 118.00 0.050 . 1 . . . . . 136 GLU N . 27469 1 630 . 1 1 137 137 ASN H H 1 8.08 0.005 . 1 . . . . . 137 ASN HN . 27469 1 631 . 1 1 137 137 ASN C C 13 175.14 0.050 . 1 . . . . . 137 ASN C . 27469 1 632 . 1 1 137 137 ASN CA C 13 52.63 0.050 . 1 . . . . . 137 ASN CA . 27469 1 633 . 1 1 137 137 ASN CB C 13 39.36 0.050 . 1 . . . . . 137 ASN CB . 27469 1 634 . 1 1 137 137 ASN N N 15 117.10 0.050 . 1 . . . . . 137 ASN N . 27469 1 635 . 1 1 138 138 GLY H H 1 8.09 0.005 . 1 . . . . . 138 GLY HN . 27469 1 636 . 1 1 138 138 GLY C C 13 173.99 0.050 . 1 . . . . . 138 GLY C . 27469 1 637 . 1 1 138 138 GLY CA C 13 44.99 0.050 . 1 . . . . . 138 GLY CA . 27469 1 638 . 1 1 138 138 GLY N N 15 108.41 0.050 . 1 . . . . . 138 GLY N . 27469 1 639 . 1 1 139 139 ASN H H 1 8.49 0.005 . 1 . . . . . 139 ASN HN . 27469 1 640 . 1 1 139 139 ASN C C 13 174.78 0.050 . 1 . . . . . 139 ASN C . 27469 1 641 . 1 1 139 139 ASN CA C 13 52.46 0.050 . 1 . . . . . 139 ASN CA . 27469 1 642 . 1 1 139 139 ASN CB C 13 38.59 0.050 . 1 . . . . . 139 ASN CB . 27469 1 643 . 1 1 139 139 ASN N N 15 120.87 0.050 . 1 . . . . . 139 ASN N . 27469 1 644 . 1 1 140 140 ALA H H 1 8.86 0.005 . 1 . . . . . 140 ALA HN . 27469 1 645 . 1 1 140 140 ALA C C 13 177.61 0.050 . 1 . . . . . 140 ALA C . 27469 1 646 . 1 1 140 140 ALA CA C 13 52.33 0.050 . 1 . . . . . 140 ALA CA . 27469 1 647 . 1 1 140 140 ALA CB C 13 17.45 0.050 . 1 . . . . . 140 ALA CB . 27469 1 648 . 1 1 140 140 ALA N N 15 125.04 0.050 . 1 . . . . . 140 ALA N . 27469 1 649 . 1 1 141 141 ILE H H 1 8.24 0.005 . 1 . . . . . 141 ILE HN . 27469 1 650 . 1 1 141 141 ILE C C 13 174.33 0.050 . 1 . . . . . 141 ILE C . 27469 1 651 . 1 1 141 141 ILE CA C 13 59.06 0.050 . 1 . . . . . 141 ILE CA . 27469 1 652 . 1 1 141 141 ILE CB C 13 41.13 0.050 . 1 . . . . . 141 ILE CB . 27469 1 653 . 1 1 141 141 ILE N N 15 119.46 0.050 . 1 . . . . . 141 ILE N . 27469 1 654 . 1 1 142 142 ARG H H 1 8.49 0.005 . 1 . . . . . 142 ARG HN . 27469 1 655 . 1 1 142 142 ARG C C 13 176.45 0.050 . 1 . . . . . 142 ARG C . 27469 1 656 . 1 1 142 142 ARG CA C 13 53.33 0.050 . 1 . . . . . 142 ARG CA . 27469 1 657 . 1 1 142 142 ARG CB C 13 29.45 0.050 . 1 . . . . . 142 ARG CB . 27469 1 658 . 1 1 142 142 ARG N N 15 123.30 0.050 . 1 . . . . . 142 ARG N . 27469 1 659 . 1 1 143 143 VAL H H 1 8.40 0.005 . 1 . . . . . 143 VAL HN . 27469 1 660 . 1 1 143 143 VAL C C 13 173.97 0.050 . 1 . . . . . 143 VAL C . 27469 1 661 . 1 1 143 143 VAL CA C 13 59.41 0.050 . 1 . . . . . 143 VAL CA . 27469 1 662 . 1 1 143 143 VAL CB C 13 35.45 0.050 . 1 . . . . . 143 VAL CB . 27469 1 663 . 1 1 143 143 VAL N N 15 119.87 0.050 . 1 . . . . . 143 VAL N . 27469 1 664 . 1 1 144 144 ASP H H 1 8.32 0.005 . 1 . . . . . 144 ASP HN . 27469 1 665 . 1 1 144 144 ASP C C 13 176.90 0.050 . 1 . . . . . 144 ASP C . 27469 1 666 . 1 1 144 144 ASP CA C 13 55.34 0.050 . 1 . . . . . 144 ASP CA . 27469 1 667 . 1 1 144 144 ASP CB C 13 40.27 0.050 . 1 . . . . . 144 ASP CB . 27469 1 668 . 1 1 144 144 ASP N N 15 124.72 0.050 . 1 . . . . . 144 ASP N . 27469 1 669 . 1 1 145 145 THR H H 1 7.98 0.005 . 1 . . . . . 145 THR HN . 27469 1 670 . 1 1 145 145 THR C C 13 175.94 0.050 . 1 . . . . . 145 THR C . 27469 1 671 . 1 1 145 145 THR CA C 13 61.51 0.050 . 1 . . . . . 145 THR CA . 27469 1 672 . 1 1 145 145 THR CB C 13 69.33 0.050 . 1 . . . . . 145 THR CB . 27469 1 673 . 1 1 145 145 THR N N 15 111.88 0.050 . 1 . . . . . 145 THR N . 27469 1 674 . 1 1 146 146 THR H H 1 7.68 0.005 . 1 . . . . . 146 THR HN . 27469 1 675 . 1 1 146 146 THR C C 13 175.34 0.050 . 1 . . . . . 146 THR C . 27469 1 676 . 1 1 146 146 THR CA C 13 61.69 0.050 . 1 . . . . . 146 THR CA . 27469 1 677 . 1 1 146 146 THR CB C 13 69.14 0.050 . 1 . . . . . 146 THR CB . 27469 1 678 . 1 1 146 146 THR N N 15 119.06 0.050 . 1 . . . . . 146 THR N . 27469 1 679 . 1 1 147 147 THR H H 1 9.03 0.005 . 1 . . . . . 147 THR HN . 27469 1 680 . 1 1 147 147 THR C C 13 171.39 0.050 . 1 . . . . . 147 THR C . 27469 1 681 . 1 1 147 147 THR CA C 13 61.84 0.050 . 1 . . . . . 147 THR CA . 27469 1 682 . 1 1 147 147 THR CB C 13 68.94 0.050 . 1 . . . . . 147 THR CB . 27469 1 683 . 1 1 147 147 THR N N 15 127.39 0.050 . 1 . . . . . 147 THR N . 27469 1 684 . 1 1 148 148 PRO C C 13 175.46 0.050 . 1 . . . . . 148 PRO C . 27469 1 685 . 1 1 148 148 PRO CA C 13 62.01 0.050 . 1 . . . . . 148 PRO CA . 27469 1 686 . 1 1 148 148 PRO CB C 13 32.37 0.050 . 1 . . . . . 148 PRO CB . 27469 1 687 . 1 1 149 149 ARG H H 1 8.84 0.005 . 1 . . . . . 149 ARG HN . 27469 1 688 . 1 1 149 149 ARG C C 13 174.76 0.050 . 1 . . . . . 149 ARG C . 27469 1 689 . 1 1 149 149 ARG CA C 13 53.07 0.050 . 1 . . . . . 149 ARG CA . 27469 1 690 . 1 1 149 149 ARG CB C 13 31.77 0.050 . 1 . . . . . 149 ARG CB . 27469 1 691 . 1 1 149 149 ARG N N 15 117.58 0.050 . 1 . . . . . 149 ARG N . 27469 1 692 . 1 1 150 150 ALA H H 1 8.44 0.005 . 1 . . . . . 150 ALA HN . 27469 1 693 . 1 1 150 150 ALA C C 13 178.60 0.050 . 1 . . . . . 150 ALA C . 27469 1 694 . 1 1 150 150 ALA CA C 13 50.55 0.050 . 1 . . . . . 150 ALA CA . 27469 1 695 . 1 1 150 150 ALA CB C 13 18.31 0.050 . 1 . . . . . 150 ALA CB . 27469 1 696 . 1 1 150 150 ALA N N 15 124.91 0.050 . 1 . . . . . 150 ALA N . 27469 1 697 . 1 1 151 151 LEU H H 1 8.12 0.005 . 1 . . . . . 151 LEU HN . 27469 1 698 . 1 1 151 151 LEU C C 13 178.76 0.050 . 1 . . . . . 151 LEU C . 27469 1 699 . 1 1 151 151 LEU CA C 13 55.26 0.050 . 1 . . . . . 151 LEU CA . 27469 1 700 . 1 1 151 151 LEU CB C 13 42.34 0.050 . 1 . . . . . 151 LEU CB . 27469 1 701 . 1 1 151 151 LEU N N 15 122.74 0.050 . 1 . . . . . 151 LEU N . 27469 1 702 . 1 1 152 152 GLU H H 1 9.93 0.005 . 1 . . . . . 152 GLU HN . 27469 1 703 . 1 1 152 152 GLU C C 13 178.69 0.050 . 1 . . . . . 152 GLU C . 27469 1 704 . 1 1 152 152 GLU CA C 13 54.77 0.050 . 1 . . . . . 152 GLU CA . 27469 1 705 . 1 1 152 152 GLU CB C 13 28.93 0.050 . 1 . . . . . 152 GLU CB . 27469 1 706 . 1 1 152 152 GLU N N 15 126.17 0.050 . 1 . . . . . 152 GLU N . 27469 1 707 . 1 1 153 153 LEU H H 1 9.23 0.005 . 1 . . . . . 153 LEU HN . 27469 1 708 . 1 1 153 153 LEU C C 13 180.27 0.050 . 1 . . . . . 153 LEU C . 27469 1 709 . 1 1 153 153 LEU CA C 13 58.39 0.050 . 1 . . . . . 153 LEU CA . 27469 1 710 . 1 1 153 153 LEU CB C 13 40.73 0.050 . 1 . . . . . 153 LEU CB . 27469 1 711 . 1 1 153 153 LEU N N 15 124.64 0.050 . 1 . . . . . 153 LEU N . 27469 1 712 . 1 1 154 154 ASP H H 1 8.53 0.005 . 1 . . . . . 154 ASP HN . 27469 1 713 . 1 1 154 154 ASP C C 13 177.61 0.050 . 1 . . . . . 154 ASP C . 27469 1 714 . 1 1 154 154 ASP CA C 13 55.26 0.050 . 1 . . . . . 154 ASP CA . 27469 1 715 . 1 1 154 154 ASP CB C 13 39.35 0.050 . 1 . . . . . 154 ASP CB . 27469 1 716 . 1 1 154 154 ASP N N 15 114.53 0.050 . 1 . . . . . 154 ASP N . 27469 1 717 . 1 1 155 155 GLU H H 1 7.86 0.005 . 1 . . . . . 155 GLU HN . 27469 1 718 . 1 1 155 155 GLU C C 13 178.65 0.050 . 1 . . . . . 155 GLU C . 27469 1 719 . 1 1 155 155 GLU CA C 13 56.72 0.050 . 1 . . . . . 155 GLU CA . 27469 1 720 . 1 1 155 155 GLU CB C 13 31.82 0.050 . 1 . . . . . 155 GLU CB . 27469 1 721 . 1 1 155 155 GLU N N 15 117.36 0.050 . 1 . . . . . 155 GLU N . 27469 1 722 . 1 1 156 156 ILE H H 1 7.42 0.005 . 1 . . . . . 156 ILE HN . 27469 1 723 . 1 1 156 156 ILE C C 13 174.85 0.050 . 1 . . . . . 156 ILE C . 27469 1 724 . 1 1 156 156 ILE CA C 13 66.53 0.050 . 1 . . . . . 156 ILE CA . 27469 1 725 . 1 1 156 156 ILE CB C 13 33.78 0.050 . 1 . . . . . 156 ILE CB . 27469 1 726 . 1 1 156 156 ILE N N 15 122.67 0.050 . 1 . . . . . 156 ILE N . 27469 1 727 . 1 1 157 157 PRO C C 13 179.23 0.050 . 1 . . . . . 157 PRO C . 27469 1 728 . 1 1 157 157 PRO CA C 13 65.42 0.050 . 1 . . . . . 157 PRO CA . 27469 1 729 . 1 1 157 157 PRO CB C 13 29.75 0.050 . 1 . . . . . 157 PRO CB . 27469 1 730 . 1 1 158 158 GLY H H 1 7.60 0.005 . 1 . . . . . 158 GLY HN . 27469 1 731 . 1 1 158 158 GLY C C 13 175.68 0.050 . 1 . . . . . 158 GLY C . 27469 1 732 . 1 1 158 158 GLY CA C 13 46.61 0.050 . 1 . . . . . 158 GLY CA . 27469 1 733 . 1 1 158 158 GLY N N 15 106.68 0.050 . 1 . . . . . 158 GLY N . 27469 1 734 . 1 1 159 159 ILE H H 1 7.43 0.005 . 1 . . . . . 159 ILE HN . 27469 1 735 . 1 1 159 159 ILE C C 13 178.85 0.050 . 1 . . . . . 159 ILE C . 27469 1 736 . 1 1 159 159 ILE CA C 13 62.46 0.050 . 1 . . . . . 159 ILE CA . 27469 1 737 . 1 1 159 159 ILE CB C 13 35.07 0.050 . 1 . . . . . 159 ILE CB . 27469 1 738 . 1 1 159 159 ILE N N 15 123.08 0.050 . 1 . . . . . 159 ILE N . 27469 1 739 . 1 1 160 160 VAL H H 1 7.63 0.005 . 1 . . . . . 160 VAL HN . 27469 1 740 . 1 1 160 160 VAL C C 13 178.26 0.050 . 1 . . . . . 160 VAL C . 27469 1 741 . 1 1 160 160 VAL CA C 13 67.45 0.050 . 1 . . . . . 160 VAL CA . 27469 1 742 . 1 1 160 160 VAL CB C 13 30.47 0.050 . 1 . . . . . 160 VAL CB . 27469 1 743 . 1 1 160 160 VAL N N 15 120.19 0.050 . 1 . . . . . 160 VAL N . 27469 1 744 . 1 1 161 161 ASN H H 1 8.40 0.005 . 1 . . . . . 161 ASN HN . 27469 1 745 . 1 1 161 161 ASN C C 13 176.96 0.050 . 1 . . . . . 161 ASN C . 27469 1 746 . 1 1 161 161 ASN CA C 13 56.15 0.050 . 1 . . . . . 161 ASN CA . 27469 1 747 . 1 1 161 161 ASN CB C 13 38.28 0.050 . 1 . . . . . 161 ASN CB . 27469 1 748 . 1 1 161 161 ASN N N 15 116.90 0.050 . 1 . . . . . 161 ASN N . 27469 1 749 . 1 1 162 162 ASP H H 1 8.47 0.005 . 1 . . . . . 162 ASP HN . 27469 1 750 . 1 1 162 162 ASP C C 13 179.74 0.050 . 1 . . . . . 162 ASP C . 27469 1 751 . 1 1 162 162 ASP CA C 13 57.61 0.050 . 1 . . . . . 162 ASP CA . 27469 1 752 . 1 1 162 162 ASP CB C 13 39.03 0.050 . 1 . . . . . 162 ASP CB . 27469 1 753 . 1 1 162 162 ASP N N 15 122.33 0.050 . 1 . . . . . 162 ASP N . 27469 1 754 . 1 1 163 163 PHE H H 1 8.21 0.005 . 1 . . . . . 163 PHE HN . 27469 1 755 . 1 1 163 163 PHE C C 13 177.38 0.050 . 1 . . . . . 163 PHE C . 27469 1 756 . 1 1 163 163 PHE CA C 13 63.56 0.050 . 1 . . . . . 163 PHE CA . 27469 1 757 . 1 1 163 163 PHE CB C 13 39.25 0.050 . 1 . . . . . 163 PHE CB . 27469 1 758 . 1 1 163 163 PHE N N 15 120.62 0.050 . 1 . . . . . 163 PHE N . 27469 1 759 . 1 1 164 164 ARG H H 1 8.45 0.005 . 1 . . . . . 164 ARG HN . 27469 1 760 . 1 1 164 164 ARG C C 13 178.03 0.050 . 1 . . . . . 164 ARG C . 27469 1 761 . 1 1 164 164 ARG CA C 13 60.75 0.050 . 1 . . . . . 164 ARG CA . 27469 1 762 . 1 1 164 164 ARG CB C 13 28.69 0.050 . 1 . . . . . 164 ARG CB . 27469 1 763 . 1 1 164 164 ARG N N 15 119.16 0.050 . 1 . . . . . 164 ARG N . 27469 1 764 . 1 1 165 165 GLN H H 1 9.17 0.005 . 1 . . . . . 165 GLN HN . 27469 1 765 . 1 1 165 165 GLN C C 13 178.04 0.050 . 1 . . . . . 165 GLN C . 27469 1 766 . 1 1 165 165 GLN CA C 13 57.29 0.050 . 1 . . . . . 165 GLN CA . 27469 1 767 . 1 1 165 165 GLN CB C 13 27.95 0.050 . 1 . . . . . 165 GLN CB . 27469 1 768 . 1 1 165 165 GLN N N 15 118.98 0.050 . 1 . . . . . 165 GLN N . 27469 1 769 . 1 1 166 166 ALA H H 1 8.29 0.005 . 1 . . . . . 166 ALA HN . 27469 1 770 . 1 1 166 166 ALA C C 13 179.49 0.050 . 1 . . . . . 166 ALA C . 27469 1 771 . 1 1 166 166 ALA CA C 13 55.09 0.050 . 1 . . . . . 166 ALA CA . 27469 1 772 . 1 1 166 166 ALA CB C 13 18.37 0.050 . 1 . . . . . 166 ALA CB . 27469 1 773 . 1 1 166 166 ALA N N 15 122.18 0.050 . 1 . . . . . 166 ALA N . 27469 1 774 . 1 1 167 167 VAL H H 1 7.98 0.005 . 1 . . . . . 167 VAL HN . 27469 1 775 . 1 1 167 167 VAL C C 13 177.16 0.050 . 1 . . . . . 167 VAL C . 27469 1 776 . 1 1 167 167 VAL CA C 13 67.20 0.050 . 1 . . . . . 167 VAL CA . 27469 1 777 . 1 1 167 167 VAL CB C 13 29.80 0.050 . 1 . . . . . 167 VAL CB . 27469 1 778 . 1 1 167 167 VAL N N 15 119.93 0.050 . 1 . . . . . 167 VAL N . 27469 1 779 . 1 1 168 168 ALA H H 1 7.88 0.005 . 1 . . . . . 168 ALA HN . 27469 1 780 . 1 1 168 168 ALA C C 13 181.32 0.050 . 1 . . . . . 168 ALA C . 27469 1 781 . 1 1 168 168 ALA CA C 13 55.17 0.050 . 1 . . . . . 168 ALA CA . 27469 1 782 . 1 1 168 168 ALA CB C 13 16.25 0.050 . 1 . . . . . 168 ALA CB . 27469 1 783 . 1 1 168 168 ALA N N 15 124.30 0.050 . 1 . . . . . 168 ALA N . 27469 1 784 . 1 1 169 169 ASN H H 1 8.73 0.005 . 1 . . . . . 169 ASN HN . 27469 1 785 . 1 1 169 169 ASN C C 13 176.94 0.050 . 1 . . . . . 169 ASN C . 27469 1 786 . 1 1 169 169 ASN CA C 13 54.63 0.050 . 1 . . . . . 169 ASN CA . 27469 1 787 . 1 1 169 169 ASN CB C 13 36.49 0.050 . 1 . . . . . 169 ASN CB . 27469 1 788 . 1 1 169 169 ASN N N 15 119.32 0.050 . 1 . . . . . 169 ASN N . 27469 1 789 . 1 1 170 170 ALA H H 1 8.67 0.005 . 1 . . . . . 170 ALA HN . 27469 1 790 . 1 1 170 170 ALA C C 13 178.90 0.050 . 1 . . . . . 170 ALA C . 27469 1 791 . 1 1 170 170 ALA CA C 13 55.04 0.050 . 1 . . . . . 170 ALA CA . 27469 1 792 . 1 1 170 170 ALA CB C 13 18.25 0.050 . 1 . . . . . 170 ALA CB . 27469 1 793 . 1 1 170 170 ALA N N 15 125.35 0.050 . 1 . . . . . 170 ALA N . 27469 1 794 . 1 1 171 171 ARG H H 1 7.63 0.005 . 1 . . . . . 171 ARG HN . 27469 1 795 . 1 1 171 171 ARG C C 13 180.93 0.050 . 1 . . . . . 171 ARG C . 27469 1 796 . 1 1 171 171 ARG CA C 13 58.38 0.050 . 1 . . . . . 171 ARG CA . 27469 1 797 . 1 1 171 171 ARG CB C 13 27.76 0.050 . 1 . . . . . 171 ARG CB . 27469 1 798 . 1 1 171 171 ARG N N 15 120.12 0.050 . 1 . . . . . 171 ARG N . 27469 1 799 . 1 1 172 172 GLU H H 1 7.79 0.005 . 1 . . . . . 172 GLU HN . 27469 1 800 . 1 1 172 172 GLU C C 13 177.87 0.050 . 1 . . . . . 172 GLU C . 27469 1 801 . 1 1 172 172 GLU CA C 13 58.49 0.050 . 1 . . . . . 172 GLU CA . 27469 1 802 . 1 1 172 172 GLU CB C 13 28.18 0.050 . 1 . . . . . 172 GLU CB . 27469 1 803 . 1 1 172 172 GLU N N 15 122.74 0.050 . 1 . . . . . 172 GLU N . 27469 1 804 . 1 1 173 173 ALA H H 1 8.53 0.005 . 1 . . . . . 173 ALA HN . 27469 1 805 . 1 1 173 173 ALA C C 13 175.68 0.050 . 1 . . . . . 173 ALA C . 27469 1 806 . 1 1 173 173 ALA CA C 13 51.84 0.050 . 1 . . . . . 173 ALA CA . 27469 1 807 . 1 1 173 173 ALA CB C 13 18.49 0.050 . 1 . . . . . 173 ALA CB . 27469 1 808 . 1 1 173 173 ALA N N 15 118.74 0.050 . 1 . . . . . 173 ALA N . 27469 1 809 . 1 1 174 174 GLY H H 1 7.48 0.005 . 1 . . . . . 174 GLY HN . 27469 1 810 . 1 1 174 174 GLY C C 13 174.85 0.050 . 1 . . . . . 174 GLY C . 27469 1 811 . 1 1 174 174 GLY CA C 13 45.57 0.050 . 1 . . . . . 174 GLY CA . 27469 1 812 . 1 1 174 174 GLY N N 15 104.58 0.050 . 1 . . . . . 174 GLY N . 27469 1 813 . 1 1 175 175 PHE H H 1 7.74 0.005 . 1 . . . . . 175 PHE HN . 27469 1 814 . 1 1 175 175 PHE C C 13 175.28 0.050 . 1 . . . . . 175 PHE C . 27469 1 815 . 1 1 175 175 PHE CA C 13 60.59 0.050 . 1 . . . . . 175 PHE CA . 27469 1 816 . 1 1 175 175 PHE CB C 13 38.28 0.050 . 1 . . . . . 175 PHE CB . 27469 1 817 . 1 1 175 175 PHE N N 15 116.11 0.050 . 1 . . . . . 175 PHE N . 27469 1 818 . 1 1 176 176 ASP H H 1 9.20 0.005 . 1 . . . . . 176 ASP HN . 27469 1 819 . 1 1 176 176 ASP C C 13 175.22 0.050 . 1 . . . . . 176 ASP C . 27469 1 820 . 1 1 176 176 ASP CA C 13 56.69 0.050 . 1 . . . . . 176 ASP CA . 27469 1 821 . 1 1 176 176 ASP CB C 13 43.18 0.050 . 1 . . . . . 176 ASP CB . 27469 1 822 . 1 1 176 176 ASP N N 15 117.22 0.050 . 1 . . . . . 176 ASP N . 27469 1 823 . 1 1 177 177 LEU H H 1 7.41 0.005 . 1 . . . . . 177 LEU HN . 27469 1 824 . 1 1 177 177 LEU C C 13 175.16 0.050 . 1 . . . . . 177 LEU C . 27469 1 825 . 1 1 177 177 LEU CA C 13 52.76 0.050 . 1 . . . . . 177 LEU CA . 27469 1 826 . 1 1 177 177 LEU CB C 13 48.63 0.050 . 1 . . . . . 177 LEU CB . 27469 1 827 . 1 1 177 177 LEU N N 15 111.62 0.050 . 1 . . . . . 177 LEU N . 27469 1 828 . 1 1 178 178 VAL H H 1 8.70 0.005 . 1 . . . . . 178 VAL HN . 27469 1 829 . 1 1 178 178 VAL C C 13 172.34 0.050 . 1 . . . . . 178 VAL C . 27469 1 830 . 1 1 178 178 VAL CA C 13 59.88 0.050 . 1 . . . . . 178 VAL CA . 27469 1 831 . 1 1 178 178 VAL CB C 13 34.43 0.050 . 1 . . . . . 178 VAL CB . 27469 1 832 . 1 1 178 178 VAL N N 15 118.17 0.050 . 1 . . . . . 178 VAL N . 27469 1 833 . 1 1 179 179 GLU H H 1 9.28 0.005 . 1 . . . . . 179 GLU HN . 27469 1 834 . 1 1 179 179 GLU C C 13 176.05 0.050 . 1 . . . . . 179 GLU C . 27469 1 835 . 1 1 179 179 GLU CA C 13 53.78 0.050 . 1 . . . . . 179 GLU CA . 27469 1 836 . 1 1 179 179 GLU CB C 13 31.97 0.050 . 1 . . . . . 179 GLU CB . 27469 1 837 . 1 1 179 179 GLU N N 15 125.05 0.050 . 1 . . . . . 179 GLU N . 27469 1 838 . 1 1 180 180 LEU H H 1 8.73 0.005 . 1 . . . . . 180 LEU HN . 27469 1 839 . 1 1 180 180 LEU C C 13 176.56 0.050 . 1 . . . . . 180 LEU C . 27469 1 840 . 1 1 180 180 LEU CA C 13 53.86 0.050 . 1 . . . . . 180 LEU CA . 27469 1 841 . 1 1 180 180 LEU CB C 13 42.06 0.050 . 1 . . . . . 180 LEU CB . 27469 1 842 . 1 1 180 180 LEU N N 15 126.56 0.050 . 1 . . . . . 180 LEU N . 27469 1 843 . 1 1 181 181 HIS H H 1 8.96 0.005 . 1 . . . . . 181 HIS HN . 27469 1 844 . 1 1 181 181 HIS C C 13 175.60 0.050 . 1 . . . . . 181 HIS C . 27469 1 845 . 1 1 181 181 HIS CA C 13 55.23 0.050 . 1 . . . . . 181 HIS CA . 27469 1 846 . 1 1 181 181 HIS CB C 13 30.11 0.050 . 1 . . . . . 181 HIS CB . 27469 1 847 . 1 1 181 181 HIS N N 15 123.72 0.050 . 1 . . . . . 181 HIS N . 27469 1 848 . 1 1 182 182 SER H H 1 8.58 0.005 . 1 . . . . . 182 SER HN . 27469 1 849 . 1 1 182 182 SER C C 13 176.20 0.050 . 1 . . . . . 182 SER C . 27469 1 850 . 1 1 182 182 SER CA C 13 54.24 0.050 . 1 . . . . . 182 SER CA . 27469 1 851 . 1 1 182 182 SER CB C 13 64.78 0.050 . 1 . . . . . 182 SER CB . 27469 1 852 . 1 1 182 182 SER N N 15 127.83 0.050 . 1 . . . . . 182 SER N . 27469 1 853 . 1 1 183 183 ALA H H 1 8.36 0.005 . 1 . . . . . 183 ALA HN . 27469 1 854 . 1 1 183 183 ALA C C 13 177.54 0.050 . 1 . . . . . 183 ALA C . 27469 1 855 . 1 1 183 183 ALA CA C 13 49.37 0.050 . 1 . . . . . 183 ALA CA . 27469 1 856 . 1 1 183 183 ALA CB C 13 22.64 0.050 . 1 . . . . . 183 ALA CB . 27469 1 857 . 1 1 183 183 ALA N N 15 124.14 0.050 . 1 . . . . . 183 ALA N . 27469 1 858 . 1 1 184 184 HIS H H 1 8.40 0.005 . 1 . . . . . 184 HIS HN . 27469 1 859 . 1 1 184 184 HIS C C 13 171.43 0.050 . 1 . . . . . 184 HIS C . 27469 1 860 . 1 1 184 184 HIS CA C 13 54.88 0.050 . 1 . . . . . 184 HIS CA . 27469 1 861 . 1 1 184 184 HIS CB C 13 28.36 0.050 . 1 . . . . . 184 HIS CB . 27469 1 862 . 1 1 184 184 HIS N N 15 113.01 0.050 . 1 . . . . . 184 HIS N . 27469 1 863 . 1 1 185 185 GLY H H 1 11.79 0.005 . 1 . . . . . 185 GLY HN . 27469 1 864 . 1 1 185 185 GLY C C 13 176.81 0.050 . 1 . . . . . 185 GLY C . 27469 1 865 . 1 1 185 185 GLY CA C 13 45.32 0.050 . 1 . . . . . 185 GLY CA . 27469 1 866 . 1 1 185 185 GLY N N 15 108.21 0.050 . 1 . . . . . 185 GLY N . 27469 1 867 . 1 1 186 186 TYR H H 1 7.19 0.005 . 1 . . . . . 186 TYR HN . 27469 1 868 . 1 1 186 186 TYR C C 13 175.90 0.050 . 1 . . . . . 186 TYR C . 27469 1 869 . 1 1 186 186 TYR CA C 13 60.87 0.050 . 1 . . . . . 186 TYR CA . 27469 1 870 . 1 1 186 186 TYR CB C 13 34.52 0.050 . 1 . . . . . 186 TYR CB . 27469 1 871 . 1 1 186 186 TYR N N 15 119.05 0.050 . 1 . . . . . 186 TYR N . 27469 1 872 . 1 1 187 187 LEU H H 1 8.58 0.005 . 1 . . . . . 187 LEU HN . 27469 1 873 . 1 1 187 187 LEU C C 13 177.48 0.050 . 1 . . . . . 187 LEU C . 27469 1 874 . 1 1 187 187 LEU CA C 13 60.51 0.050 . 1 . . . . . 187 LEU CA . 27469 1 875 . 1 1 187 187 LEU CB C 13 41.54 0.050 . 1 . . . . . 187 LEU CB . 27469 1 876 . 1 1 187 187 LEU N N 15 116.00 0.050 . 1 . . . . . 187 LEU N . 27469 1 877 . 1 1 188 188 LEU H H 1 6.95 0.005 . 1 . . . . . 188 LEU HN . 27469 1 878 . 1 1 188 188 LEU C C 13 178.40 0.050 . 1 . . . . . 188 LEU C . 27469 1 879 . 1 1 188 188 LEU CA C 13 58.28 0.050 . 1 . . . . . 188 LEU CA . 27469 1 880 . 1 1 188 188 LEU CB C 13 40.40 0.050 . 1 . . . . . 188 LEU CB . 27469 1 881 . 1 1 188 188 LEU N N 15 112.69 0.050 . 1 . . . . . 188 LEU N . 27469 1 882 . 1 1 189 189 HIS H H 1 7.89 0.005 . 1 . . . . . 189 HIS HN . 27469 1 883 . 1 1 189 189 HIS C C 13 176.11 0.050 . 1 . . . . . 189 HIS C . 27469 1 884 . 1 1 189 189 HIS CA C 13 56.74 0.050 . 1 . . . . . 189 HIS CA . 27469 1 885 . 1 1 189 189 HIS CB C 13 32.10 0.050 . 1 . . . . . 189 HIS CB . 27469 1 886 . 1 1 189 189 HIS N N 15 121.20 0.050 . 1 . . . . . 189 HIS N . 27469 1 887 . 1 1 190 190 GLN H H 1 8.96 0.005 . 1 . . . . . 190 GLN HN . 27469 1 888 . 1 1 190 190 GLN C C 13 179.45 0.050 . 1 . . . . . 190 GLN C . 27469 1 889 . 1 1 190 190 GLN CA C 13 56.54 0.050 . 1 . . . . . 190 GLN CA . 27469 1 890 . 1 1 190 190 GLN CB C 13 25.85 0.050 . 1 . . . . . 190 GLN CB . 27469 1 891 . 1 1 190 190 GLN N N 15 115.78 0.050 . 1 . . . . . 190 GLN N . 27469 1 892 . 1 1 191 191 PHE H H 1 7.56 0.005 . 1 . . . . . 191 PHE HN . 27469 1 893 . 1 1 191 191 PHE C C 13 176.68 0.050 . 1 . . . . . 191 PHE C . 27469 1 894 . 1 1 191 191 PHE CA C 13 60.19 0.050 . 1 . . . . . 191 PHE CA . 27469 1 895 . 1 1 191 191 PHE CB C 13 38.96 0.050 . 1 . . . . . 191 PHE CB . 27469 1 896 . 1 1 191 191 PHE N N 15 114.92 0.050 . 1 . . . . . 191 PHE N . 27469 1 897 . 1 1 192 192 LEU H H 1 7.59 0.005 . 1 . . . . . 192 LEU HN . 27469 1 898 . 1 1 192 192 LEU C C 13 178.45 0.050 . 1 . . . . . 192 LEU C . 27469 1 899 . 1 1 192 192 LEU CA C 13 57.61 0.050 . 1 . . . . . 192 LEU CA . 27469 1 900 . 1 1 192 192 LEU CB C 13 42.87 0.050 . 1 . . . . . 192 LEU CB . 27469 1 901 . 1 1 192 192 LEU N N 15 118.02 0.050 . 1 . . . . . 192 LEU N . 27469 1 902 . 1 1 193 193 SER H H 1 7.83 0.005 . 1 . . . . . 193 SER HN . 27469 1 903 . 1 1 193 193 SER C C 13 174.50 0.050 . 1 . . . . . 193 SER C . 27469 1 904 . 1 1 193 193 SER CA C 13 54.59 0.050 . 1 . . . . . 193 SER CA . 27469 1 905 . 1 1 193 193 SER CB C 13 63.46 0.050 . 1 . . . . . 193 SER CB . 27469 1 906 . 1 1 193 193 SER N N 15 113.44 0.050 . 1 . . . . . 193 SER N . 27469 1 907 . 1 1 194 194 PRO C C 13 176.60 0.050 . 1 . . . . . 194 PRO C . 27469 1 908 . 1 1 194 194 PRO CA C 13 63.35 0.050 . 1 . . . . . 194 PRO CA . 27469 1 909 . 1 1 194 194 PRO CB C 13 30.76 0.050 . 1 . . . . . 194 PRO CB . 27469 1 910 . 1 1 195 195 SER H H 1 8.07 0.005 . 1 . . . . . 195 SER HN . 27469 1 911 . 1 1 195 195 SER C C 13 175.04 0.050 . 1 . . . . . 195 SER C . 27469 1 912 . 1 1 195 195 SER CA C 13 59.72 0.050 . 1 . . . . . 195 SER CA . 27469 1 913 . 1 1 195 195 SER CB C 13 62.59 0.050 . 1 . . . . . 195 SER CB . 27469 1 914 . 1 1 195 195 SER N N 15 114.70 0.050 . 1 . . . . . 195 SER N . 27469 1 915 . 1 1 196 196 SER H H 1 7.23 0.005 . 1 . . . . . 196 SER HN . 27469 1 916 . 1 1 196 196 SER C C 13 172.81 0.050 . 1 . . . . . 196 SER C . 27469 1 917 . 1 1 196 196 SER CA C 13 57.69 0.050 . 1 . . . . . 196 SER CA . 27469 1 918 . 1 1 196 196 SER CB C 13 62.76 0.050 . 1 . . . . . 196 SER CB . 27469 1 919 . 1 1 196 196 SER N N 15 113.09 0.050 . 1 . . . . . 196 SER N . 27469 1 920 . 1 1 197 197 ASN H H 1 7.50 0.005 . 1 . . . . . 197 ASN HN . 27469 1 921 . 1 1 197 197 ASN C C 13 175.41 0.050 . 1 . . . . . 197 ASN C . 27469 1 922 . 1 1 197 197 ASN CA C 13 51.69 0.050 . 1 . . . . . 197 ASN CA . 27469 1 923 . 1 1 197 197 ASN CB C 13 37.16 0.050 . 1 . . . . . 197 ASN CB . 27469 1 924 . 1 1 197 197 ASN N N 15 121.53 0.050 . 1 . . . . . 197 ASN N . 27469 1 925 . 1 1 198 198 GLN H H 1 8.50 0.005 . 1 . . . . . 198 GLN HN . 27469 1 926 . 1 1 198 198 GLN C C 13 176.88 0.050 . 1 . . . . . 198 GLN C . 27469 1 927 . 1 1 198 198 GLN CA C 13 52.97 0.050 . 1 . . . . . 198 GLN CA . 27469 1 928 . 1 1 198 198 GLN CB C 13 27.14 0.050 . 1 . . . . . 198 GLN CB . 27469 1 929 . 1 1 198 198 GLN N N 15 123.60 0.050 . 1 . . . . . 198 GLN N . 27469 1 930 . 1 1 199 199 ARG H H 1 8.64 0.005 . 1 . . . . . 199 ARG HN . 27469 1 931 . 1 1 199 199 ARG C C 13 177.75 0.050 . 1 . . . . . 199 ARG C . 27469 1 932 . 1 1 199 199 ARG CA C 13 57.38 0.050 . 1 . . . . . 199 ARG CA . 27469 1 933 . 1 1 199 199 ARG CB C 13 32.44 0.050 . 1 . . . . . 199 ARG CB . 27469 1 934 . 1 1 199 199 ARG N N 15 121.05 0.050 . 1 . . . . . 199 ARG N . 27469 1 935 . 1 1 200 200 THR H H 1 8.44 0.005 . 1 . . . . . 200 THR HN . 27469 1 936 . 1 1 200 200 THR C C 13 174.50 0.050 . 1 . . . . . 200 THR C . 27469 1 937 . 1 1 200 200 THR CA C 13 59.67 0.050 . 1 . . . . . 200 THR CA . 27469 1 938 . 1 1 200 200 THR CB C 13 68.11 0.050 . 1 . . . . . 200 THR CB . 27469 1 939 . 1 1 200 200 THR N N 15 108.79 0.050 . 1 . . . . . 200 THR N . 27469 1 940 . 1 1 201 201 ASP H H 1 6.86 0.005 . 1 . . . . . 201 ASP HN . 27469 1 941 . 1 1 201 201 ASP C C 13 176.58 0.050 . 1 . . . . . 201 ASP C . 27469 1 942 . 1 1 201 201 ASP CA C 13 51.73 0.050 . 1 . . . . . 201 ASP CA . 27469 1 943 . 1 1 201 201 ASP CB C 13 41.07 0.050 . 1 . . . . . 201 ASP CB . 27469 1 944 . 1 1 201 201 ASP N N 15 122.09 0.050 . 1 . . . . . 201 ASP N . 27469 1 945 . 1 1 202 202 GLN H H 1 9.19 0.005 . 1 . . . . . 202 GLN HN . 27469 1 946 . 1 1 202 202 GLN C C 13 175.11 0.050 . 1 . . . . . 202 GLN C . 27469 1 947 . 1 1 202 202 GLN CA C 13 57.18 0.050 . 1 . . . . . 202 GLN CA . 27469 1 948 . 1 1 202 202 GLN CB C 13 26.34 0.050 . 1 . . . . . 202 GLN CB . 27469 1 949 . 1 1 202 202 GLN N N 15 115.81 0.050 . 1 . . . . . 202 GLN N . 27469 1 950 . 1 1 203 203 TYR H H 1 8.39 0.005 . 1 . . . . . 203 TYR HN . 27469 1 951 . 1 1 203 203 TYR C C 13 174.90 0.050 . 1 . . . . . 203 TYR C . 27469 1 952 . 1 1 203 203 TYR CA C 13 58.54 0.050 . 1 . . . . . 203 TYR CA . 27469 1 953 . 1 1 203 203 TYR CB C 13 37.40 0.050 . 1 . . . . . 203 TYR CB . 27469 1 954 . 1 1 203 203 TYR N N 15 118.54 0.050 . 1 . . . . . 203 TYR N . 27469 1 955 . 1 1 204 204 GLY H H 1 7.87 0.005 . 1 . . . . . 204 GLY HN . 27469 1 956 . 1 1 204 204 GLY C C 13 171.71 0.050 . 1 . . . . . 204 GLY C . 27469 1 957 . 1 1 204 204 GLY CA C 13 44.34 0.050 . 1 . . . . . 204 GLY CA . 27469 1 958 . 1 1 204 204 GLY N N 15 105.38 0.050 . 1 . . . . . 204 GLY N . 27469 1 959 . 1 1 205 205 GLY H H 1 8.61 0.005 . 1 . . . . . 205 GLY HN . 27469 1 960 . 1 1 205 205 GLY C C 13 173.88 0.050 . 1 . . . . . 205 GLY C . 27469 1 961 . 1 1 205 205 GLY CA C 13 45.34 0.050 . 1 . . . . . 205 GLY CA . 27469 1 962 . 1 1 205 205 GLY N N 15 107.93 0.050 . 1 . . . . . 205 GLY N . 27469 1 963 . 1 1 206 206 SER C C 13 174.58 0.050 . 1 . . . . . 206 SER C . 27469 1 964 . 1 1 206 206 SER CA C 13 56.63 0.050 . 1 . . . . . 206 SER CA . 27469 1 965 . 1 1 206 206 SER CB C 13 64.32 0.050 . 1 . . . . . 206 SER CB . 27469 1 966 . 1 1 207 207 VAL H H 1 9.06 0.005 . 1 . . . . . 207 VAL HN . 27469 1 967 . 1 1 207 207 VAL C C 13 175.55 0.050 . 1 . . . . . 207 VAL C . 27469 1 968 . 1 1 207 207 VAL CA C 13 65.29 0.050 . 1 . . . . . 207 VAL CA . 27469 1 969 . 1 1 207 207 VAL CB C 13 30.22 0.050 . 1 . . . . . 207 VAL CB . 27469 1 970 . 1 1 207 207 VAL N N 15 123.64 0.050 . 1 . . . . . 207 VAL N . 27469 1 971 . 1 1 208 208 GLU H H 1 8.40 0.005 . 1 . . . . . 208 GLU HN . 27469 1 972 . 1 1 208 208 GLU C C 13 178.75 0.050 . 1 . . . . . 208 GLU C . 27469 1 973 . 1 1 208 208 GLU CA C 13 58.80 0.050 . 1 . . . . . 208 GLU CA . 27469 1 974 . 1 1 208 208 GLU CB C 13 27.60 0.050 . 1 . . . . . 208 GLU CB . 27469 1 975 . 1 1 208 208 GLU N N 15 121.38 0.050 . 1 . . . . . 208 GLU N . 27469 1 976 . 1 1 209 209 ASN H H 1 7.28 0.005 . 1 . . . . . 209 ASN HN . 27469 1 977 . 1 1 209 209 ASN C C 13 177.83 0.050 . 1 . . . . . 209 ASN C . 27469 1 978 . 1 1 209 209 ASN CA C 13 54.24 0.050 . 1 . . . . . 209 ASN CA . 27469 1 979 . 1 1 209 209 ASN CB C 13 36.91 0.050 . 1 . . . . . 209 ASN CB . 27469 1 980 . 1 1 209 209 ASN N N 15 119.99 0.050 . 1 . . . . . 209 ASN N . 27469 1 981 . 1 1 210 210 ARG H H 1 8.56 0.005 . 1 . . . . . 210 ARG HN . 27469 1 982 . 1 1 210 210 ARG C C 13 179.38 0.050 . 1 . . . . . 210 ARG C . 27469 1 983 . 1 1 210 210 ARG CA C 13 60.28 0.050 . 1 . . . . . 210 ARG CA . 27469 1 984 . 1 1 210 210 ARG CB C 13 29.16 0.050 . 1 . . . . . 210 ARG CB . 27469 1 985 . 1 1 210 210 ARG N N 15 121.01 0.050 . 1 . . . . . 210 ARG N . 27469 1 986 . 1 1 211 211 ALA H H 1 8.44 0.005 . 1 . . . . . 211 ALA HN . 27469 1 987 . 1 1 211 211 ALA C C 13 176.48 0.050 . 1 . . . . . 211 ALA C . 27469 1 988 . 1 1 211 211 ALA CA C 13 52.03 0.050 . 1 . . . . . 211 ALA CA . 27469 1 989 . 1 1 211 211 ALA CB C 13 17.92 0.050 . 1 . . . . . 211 ALA CB . 27469 1 990 . 1 1 211 211 ALA N N 15 120.02 0.050 . 1 . . . . . 211 ALA N . 27469 1 991 . 1 1 212 212 ARG H H 1 7.23 0.005 . 1 . . . . . 212 ARG HN . 27469 1 992 . 1 1 212 212 ARG C C 13 179.00 0.050 . 1 . . . . . 212 ARG C . 27469 1 993 . 1 1 212 212 ARG CA C 13 60.70 0.050 . 1 . . . . . 212 ARG CA . 27469 1 994 . 1 1 212 212 ARG CB C 13 29.93 0.050 . 1 . . . . . 212 ARG CB . 27469 1 995 . 1 1 212 212 ARG N N 15 121.14 0.050 . 1 . . . . . 212 ARG N . 27469 1 996 . 1 1 213 213 LEU H H 1 9.59 0.005 . 1 . . . . . 213 LEU HN . 27469 1 997 . 1 1 213 213 LEU C C 13 178.18 0.050 . 1 . . . . . 213 LEU C . 27469 1 998 . 1 1 213 213 LEU CA C 13 58.06 0.050 . 1 . . . . . 213 LEU CA . 27469 1 999 . 1 1 213 213 LEU CB C 13 39.96 0.050 . 1 . . . . . 213 LEU CB . 27469 1 1000 . 1 1 213 213 LEU N N 15 118.16 0.050 . 1 . . . . . 213 LEU N . 27469 1 1001 . 1 1 214 214 VAL H H 1 7.31 0.005 . 1 . . . . . 214 VAL HN . 27469 1 1002 . 1 1 214 214 VAL C C 13 176.83 0.050 . 1 . . . . . 214 VAL C . 27469 1 1003 . 1 1 214 214 VAL CA C 13 66.18 0.050 . 1 . . . . . 214 VAL CA . 27469 1 1004 . 1 1 214 214 VAL CB C 13 30.31 0.050 . 1 . . . . . 214 VAL CB . 27469 1 1005 . 1 1 214 214 VAL N N 15 116.02 0.050 . 1 . . . . . 214 VAL N . 27469 1 1006 . 1 1 215 215 LEU H H 1 7.81 0.005 . 1 . . . . . 215 LEU HN . 27469 1 1007 . 1 1 215 215 LEU C C 13 178.24 0.050 . 1 . . . . . 215 LEU C . 27469 1 1008 . 1 1 215 215 LEU CA C 13 57.40 0.050 . 1 . . . . . 215 LEU CA . 27469 1 1009 . 1 1 215 215 LEU CB C 13 39.07 0.050 . 1 . . . . . 215 LEU CB . 27469 1 1010 . 1 1 215 215 LEU N N 15 119.37 0.050 . 1 . . . . . 215 LEU N . 27469 1 1011 . 1 1 216 216 GLU H H 1 8.49 0.005 . 1 . . . . . 216 GLU HN . 27469 1 1012 . 1 1 216 216 GLU C C 13 181.34 0.050 . 1 . . . . . 216 GLU C . 27469 1 1013 . 1 1 216 216 GLU CA C 13 59.52 0.050 . 1 . . . . . 216 GLU CA . 27469 1 1014 . 1 1 216 216 GLU CB C 13 29.12 0.050 . 1 . . . . . 216 GLU CB . 27469 1 1015 . 1 1 216 216 GLU N N 15 120.68 0.050 . 1 . . . . . 216 GLU N . 27469 1 1016 . 1 1 217 217 VAL H H 1 8.39 0.005 . 1 . . . . . 217 VAL HN . 27469 1 1017 . 1 1 217 217 VAL C C 13 177.37 0.050 . 1 . . . . . 217 VAL C . 27469 1 1018 . 1 1 217 217 VAL CA C 13 67.13 0.050 . 1 . . . . . 217 VAL CA . 27469 1 1019 . 1 1 217 217 VAL CB C 13 30.10 0.050 . 1 . . . . . 217 VAL CB . 27469 1 1020 . 1 1 217 217 VAL N N 15 121.55 0.050 . 1 . . . . . 217 VAL N . 27469 1 1021 . 1 1 218 218 VAL H H 1 8.64 0.005 . 1 . . . . . 218 VAL HN . 27469 1 1022 . 1 1 218 218 VAL C C 13 177.98 0.050 . 1 . . . . . 218 VAL C . 27469 1 1023 . 1 1 218 218 VAL CA C 13 66.77 0.050 . 1 . . . . . 218 VAL CA . 27469 1 1024 . 1 1 218 218 VAL CB C 13 30.52 0.050 . 1 . . . . . 218 VAL CB . 27469 1 1025 . 1 1 218 218 VAL N N 15 119.94 0.050 . 1 . . . . . 218 VAL N . 27469 1 1026 . 1 1 219 219 ASP H H 1 8.77 0.005 . 1 . . . . . 219 ASP HN . 27469 1 1027 . 1 1 219 219 ASP C C 13 178.93 0.050 . 1 . . . . . 219 ASP C . 27469 1 1028 . 1 1 219 219 ASP CA C 13 57.83 0.050 . 1 . . . . . 219 ASP CA . 27469 1 1029 . 1 1 219 219 ASP CB C 13 39.01 0.050 . 1 . . . . . 219 ASP CB . 27469 1 1030 . 1 1 219 219 ASP N N 15 120.67 0.050 . 1 . . . . . 219 ASP N . 27469 1 1031 . 1 1 220 220 ALA H H 1 8.03 0.005 . 1 . . . . . 220 ALA HN . 27469 1 1032 . 1 1 220 220 ALA C C 13 181.82 0.050 . 1 . . . . . 220 ALA C . 27469 1 1033 . 1 1 220 220 ALA CA C 13 54.84 0.050 . 1 . . . . . 220 ALA CA . 27469 1 1034 . 1 1 220 220 ALA CB C 13 18.17 0.050 . 1 . . . . . 220 ALA CB . 27469 1 1035 . 1 1 220 220 ALA N N 15 122.23 0.050 . 1 . . . . . 220 ALA N . 27469 1 1036 . 1 1 221 221 VAL H H 1 8.73 0.005 . 1 . . . . . 221 VAL HN . 27469 1 1037 . 1 1 221 221 VAL C C 13 178.20 0.050 . 1 . . . . . 221 VAL C . 27469 1 1038 . 1 1 221 221 VAL CA C 13 64.80 0.050 . 1 . . . . . 221 VAL CA . 27469 1 1039 . 1 1 221 221 VAL CB C 13 30.46 0.050 . 1 . . . . . 221 VAL CB . 27469 1 1040 . 1 1 221 221 VAL N N 15 113.18 0.050 . 1 . . . . . 221 VAL N . 27469 1 1041 . 1 1 222 222 CYS H H 1 8.32 0.005 . 1 . . . . . 222 CYS HN . 27469 1 1042 . 1 1 222 222 CYS C C 13 175.90 0.050 . 1 . . . . . 222 CYS C . 27469 1 1043 . 1 1 222 222 CYS CA C 13 64.10 0.050 . 1 . . . . . 222 CYS CA . 27469 1 1044 . 1 1 222 222 CYS CB C 13 26.68 0.050 . 1 . . . . . 222 CYS CB . 27469 1 1045 . 1 1 222 222 CYS N N 15 121.01 0.050 . 1 . . . . . 222 CYS N . 27469 1 1046 . 1 1 223 223 ASN H H 1 7.30 0.005 . 1 . . . . . 223 ASN HN . 27469 1 1047 . 1 1 223 223 ASN C C 13 176.32 0.050 . 1 . . . . . 223 ASN C . 27469 1 1048 . 1 1 223 223 ASN CA C 13 55.08 0.050 . 1 . . . . . 223 ASN CA . 27469 1 1049 . 1 1 223 223 ASN CB C 13 38.70 0.050 . 1 . . . . . 223 ASN CB . 27469 1 1050 . 1 1 223 223 ASN N N 15 114.41 0.050 . 1 . . . . . 223 ASN N . 27469 1 1051 . 1 1 224 224 GLU H H 1 7.65 0.005 . 1 . . . . . 224 GLU HN . 27469 1 1052 . 1 1 224 224 GLU C C 13 175.96 0.050 . 1 . . . . . 224 GLU C . 27469 1 1053 . 1 1 224 224 GLU CA C 13 57.27 0.050 . 1 . . . . . 224 GLU CA . 27469 1 1054 . 1 1 224 224 GLU CB C 13 29.70 0.050 . 1 . . . . . 224 GLU CB . 27469 1 1055 . 1 1 224 224 GLU N N 15 119.10 0.050 . 1 . . . . . 224 GLU N . 27469 1 1056 . 1 1 225 225 TRP H H 1 7.63 0.005 . 1 . . . . . 225 TRP HN . 27469 1 1057 . 1 1 225 225 TRP C C 13 172.11 0.050 . 1 . . . . . 225 TRP C . 27469 1 1058 . 1 1 225 225 TRP CA C 13 53.62 0.050 . 1 . . . . . 225 TRP CA . 27469 1 1059 . 1 1 225 225 TRP CB C 13 29.93 0.050 . 1 . . . . . 225 TRP CB . 27469 1 1060 . 1 1 225 225 TRP N N 15 120.16 0.050 . 1 . . . . . 225 TRP N . 27469 1 1061 . 1 1 226 226 SER H H 1 6.99 0.005 . 1 . . . . . 226 SER HN . 27469 1 1062 . 1 1 226 226 SER C C 13 175.31 0.050 . 1 . . . . . 226 SER C . 27469 1 1063 . 1 1 226 226 SER CA C 13 57.11 0.050 . 1 . . . . . 226 SER CA . 27469 1 1064 . 1 1 226 226 SER CB C 13 62.91 0.050 . 1 . . . . . 226 SER CB . 27469 1 1065 . 1 1 226 226 SER N N 15 111.70 0.050 . 1 . . . . . 226 SER N . 27469 1 1066 . 1 1 227 227 ALA H H 1 9.21 0.005 . 1 . . . . . 227 ALA HN . 27469 1 1067 . 1 1 227 227 ALA C C 13 177.81 0.050 . 1 . . . . . 227 ALA C . 27469 1 1068 . 1 1 227 227 ALA CA C 13 55.73 0.050 . 1 . . . . . 227 ALA CA . 27469 1 1069 . 1 1 227 227 ALA CB C 13 17.61 0.050 . 1 . . . . . 227 ALA CB . 27469 1 1070 . 1 1 227 227 ALA N N 15 129.85 0.050 . 1 . . . . . 227 ALA N . 27469 1 1071 . 1 1 228 228 ASP H H 1 7.70 0.005 . 1 . . . . . 228 ASP HN . 27469 1 1072 . 1 1 228 228 ASP C C 13 175.13 0.050 . 1 . . . . . 228 ASP C . 27469 1 1073 . 1 1 228 228 ASP CA C 13 54.20 0.050 . 1 . . . . . 228 ASP CA . 27469 1 1074 . 1 1 228 228 ASP CB C 13 38.53 0.050 . 1 . . . . . 228 ASP CB . 27469 1 1075 . 1 1 228 228 ASP N N 15 112.38 0.050 . 1 . . . . . 228 ASP N . 27469 1 1076 . 1 1 229 229 ARG H H 1 7.31 0.005 . 1 . . . . . 229 ARG HN . 27469 1 1077 . 1 1 229 229 ARG C C 13 174.04 0.050 . 1 . . . . . 229 ARG C . 27469 1 1078 . 1 1 229 229 ARG CA C 13 53.12 0.050 . 1 . . . . . 229 ARG CA . 27469 1 1079 . 1 1 229 229 ARG CB C 13 30.28 0.050 . 1 . . . . . 229 ARG CB . 27469 1 1080 . 1 1 229 229 ARG N N 15 116.79 0.050 . 1 . . . . . 229 ARG N . 27469 1 1081 . 1 1 230 230 ILE H H 1 7.34 0.005 . 1 . . . . . 230 ILE HN . 27469 1 1082 . 1 1 230 230 ILE C C 13 173.98 0.050 . 1 . . . . . 230 ILE C . 27469 1 1083 . 1 1 230 230 ILE CA C 13 57.50 0.050 . 1 . . . . . 230 ILE CA . 27469 1 1084 . 1 1 230 230 ILE CB C 13 36.69 0.050 . 1 . . . . . 230 ILE CB . 27469 1 1085 . 1 1 230 230 ILE N N 15 119.63 0.050 . 1 . . . . . 230 ILE N . 27469 1 1086 . 1 1 231 231 GLY H H 1 9.04 0.005 . 1 . . . . . 231 GLY HN . 27469 1 1087 . 1 1 231 231 GLY C C 13 172.77 0.050 . 1 . . . . . 231 GLY C . 27469 1 1088 . 1 1 231 231 GLY CA C 13 40.60 0.050 . 1 . . . . . 231 GLY CA . 27469 1 1089 . 1 1 231 231 GLY N N 15 112.81 0.050 . 1 . . . . . 231 GLY N . 27469 1 1090 . 1 1 232 232 ILE H H 1 7.09 0.005 . 1 . . . . . 232 ILE HN . 27469 1 1091 . 1 1 232 232 ILE C C 13 170.57 0.050 . 1 . . . . . 232 ILE C . 27469 1 1092 . 1 1 232 232 ILE CA C 13 58.55 0.050 . 1 . . . . . 232 ILE CA . 27469 1 1093 . 1 1 232 232 ILE CB C 13 41.27 0.050 . 1 . . . . . 232 ILE CB . 27469 1 1094 . 1 1 232 232 ILE N N 15 115.93 0.050 . 1 . . . . . 232 ILE N . 27469 1 1095 . 1 1 233 233 ARG H H 1 8.76 0.005 . 1 . . . . . 233 ARG HN . 27469 1 1096 . 1 1 233 233 ARG C C 13 174.85 0.050 . 1 . . . . . 233 ARG C . 27469 1 1097 . 1 1 233 233 ARG CA C 13 53.37 0.050 . 1 . . . . . 233 ARG CA . 27469 1 1098 . 1 1 233 233 ARG CB C 13 31.45 0.050 . 1 . . . . . 233 ARG CB . 27469 1 1099 . 1 1 233 233 ARG N N 15 129.07 0.050 . 1 . . . . . 233 ARG N . 27469 1 1100 . 1 1 234 234 VAL H H 1 8.50 0.005 . 1 . . . . . 234 VAL HN . 27469 1 1101 . 1 1 234 234 VAL C C 13 173.73 0.050 . 1 . . . . . 234 VAL C . 27469 1 1102 . 1 1 234 234 VAL CA C 13 58.11 0.050 . 1 . . . . . 234 VAL CA . 27469 1 1103 . 1 1 234 234 VAL CB C 13 34.12 0.050 . 1 . . . . . 234 VAL CB . 27469 1 1104 . 1 1 234 234 VAL N N 15 116.01 0.050 . 1 . . . . . 234 VAL N . 27469 1 1105 . 1 1 235 235 SER H H 1 9.99 0.005 . 1 . . . . . 235 SER HN . 27469 1 1106 . 1 1 235 235 SER C C 13 174.96 0.050 . 1 . . . . . 235 SER C . 27469 1 1107 . 1 1 235 235 SER CA C 13 52.46 0.050 . 1 . . . . . 235 SER CA . 27469 1 1108 . 1 1 235 235 SER CB C 13 64.44 0.050 . 1 . . . . . 235 SER CB . 27469 1 1109 . 1 1 235 235 SER N N 15 115.90 0.050 . 1 . . . . . 235 SER N . 27469 1 1110 . 1 1 236 236 PRO C C 13 174.41 0.050 . 1 . . . . . 236 PRO C . 27469 1 1111 . 1 1 236 236 PRO CA C 13 63.93 0.050 . 1 . . . . . 236 PRO CA . 27469 1 1112 . 1 1 236 236 PRO CB C 13 32.32 0.050 . 1 . . . . . 236 PRO CB . 27469 1 1113 . 1 1 237 237 ILE H H 1 7.48 0.005 . 1 . . . . . 237 ILE HN . 27469 1 1114 . 1 1 237 237 ILE C C 13 176.74 0.050 . 1 . . . . . 237 ILE C . 27469 1 1115 . 1 1 237 237 ILE CA C 13 57.56 0.050 . 1 . . . . . 237 ILE CA . 27469 1 1116 . 1 1 237 237 ILE CB C 13 37.72 0.050 . 1 . . . . . 237 ILE CB . 27469 1 1117 . 1 1 237 237 ILE N N 15 119.39 0.050 . 1 . . . . . 237 ILE N . 27469 1 1118 . 1 1 238 238 GLY H H 1 9.96 0.005 . 1 . . . . . 238 GLY HN . 27469 1 1119 . 1 1 238 238 GLY C C 13 173.17 0.050 . 1 . . . . . 238 GLY C . 27469 1 1120 . 1 1 238 238 GLY CA C 13 43.51 0.050 . 1 . . . . . 238 GLY CA . 27469 1 1121 . 1 1 238 238 GLY N N 15 118.16 0.050 . 1 . . . . . 238 GLY N . 27469 1 1122 . 1 1 239 239 THR H H 1 8.05 0.005 . 1 . . . . . 239 THR HN . 27469 1 1123 . 1 1 239 239 THR C C 13 173.42 0.050 . 1 . . . . . 239 THR C . 27469 1 1124 . 1 1 239 239 THR CA C 13 61.43 0.050 . 1 . . . . . 239 THR CA . 27469 1 1125 . 1 1 239 239 THR CB C 13 69.53 0.050 . 1 . . . . . 239 THR CB . 27469 1 1126 . 1 1 239 239 THR N N 15 115.35 0.050 . 1 . . . . . 239 THR N . 27469 1 1127 . 1 1 240 240 PHE H H 1 8.52 0.005 . 1 . . . . . 240 PHE HN . 27469 1 1128 . 1 1 240 240 PHE C C 13 174.38 0.050 . 1 . . . . . 240 PHE C . 27469 1 1129 . 1 1 240 240 PHE CA C 13 56.21 0.050 . 1 . . . . . 240 PHE CA . 27469 1 1130 . 1 1 240 240 PHE CB C 13 42.33 0.050 . 1 . . . . . 240 PHE CB . 27469 1 1131 . 1 1 240 240 PHE N N 15 124.43 0.050 . 1 . . . . . 240 PHE N . 27469 1 1132 . 1 1 241 241 GLN H H 1 9.44 0.005 . 1 . . . . . 241 GLN HN . 27469 1 1133 . 1 1 241 241 GLN C C 13 174.83 0.050 . 1 . . . . . 241 GLN C . 27469 1 1134 . 1 1 241 241 GLN CA C 13 56.69 0.050 . 1 . . . . . 241 GLN CA . 27469 1 1135 . 1 1 241 241 GLN CB C 13 25.88 0.050 . 1 . . . . . 241 GLN CB . 27469 1 1136 . 1 1 241 241 GLN N N 15 122.10 0.050 . 1 . . . . . 241 GLN N . 27469 1 1137 . 1 1 242 242 ASN H H 1 8.60 0.005 . 1 . . . . . 242 ASN HN . 27469 1 1138 . 1 1 242 242 ASN C C 13 174.29 0.050 . 1 . . . . . 242 ASN C . 27469 1 1139 . 1 1 242 242 ASN CA C 13 54.04 0.050 . 1 . . . . . 242 ASN CA . 27469 1 1140 . 1 1 242 242 ASN CB C 13 37.36 0.050 . 1 . . . . . 242 ASN CB . 27469 1 1141 . 1 1 242 242 ASN N N 15 108.31 0.050 . 1 . . . . . 242 ASN N . 27469 1 1142 . 1 1 243 243 VAL H H 1 8.11 0.005 . 1 . . . . . 243 VAL HN . 27469 1 1143 . 1 1 243 243 VAL C C 13 173.97 0.050 . 1 . . . . . 243 VAL C . 27469 1 1144 . 1 1 243 243 VAL CA C 13 62.90 0.050 . 1 . . . . . 243 VAL CA . 27469 1 1145 . 1 1 243 243 VAL CB C 13 30.62 0.050 . 1 . . . . . 243 VAL CB . 27469 1 1146 . 1 1 243 243 VAL N N 15 122.92 0.050 . 1 . . . . . 243 VAL N . 27469 1 1147 . 1 1 244 244 ASP H H 1 7.54 0.005 . 1 . . . . . 244 ASP HN . 27469 1 1148 . 1 1 244 244 ASP C C 13 176.33 0.050 . 1 . . . . . 244 ASP C . 27469 1 1149 . 1 1 244 244 ASP CA C 13 52.00 0.050 . 1 . . . . . 244 ASP CA . 27469 1 1150 . 1 1 244 244 ASP CB C 13 41.83 0.050 . 1 . . . . . 244 ASP CB . 27469 1 1151 . 1 1 244 244 ASP N N 15 125.86 0.050 . 1 . . . . . 244 ASP N . 27469 1 1152 . 1 1 245 245 ASN H H 1 8.67 0.005 . 1 . . . . . 245 ASN HN . 27469 1 1153 . 1 1 245 245 ASN C C 13 176.50 0.050 . 1 . . . . . 245 ASN C . 27469 1 1154 . 1 1 245 245 ASN CA C 13 54.41 0.050 . 1 . . . . . 245 ASN CA . 27469 1 1155 . 1 1 245 245 ASN CB C 13 41.58 0.050 . 1 . . . . . 245 ASN CB . 27469 1 1156 . 1 1 245 245 ASN N N 15 120.02 0.050 . 1 . . . . . 245 ASN N . 27469 1 1157 . 1 1 246 246 GLY H H 1 8.63 0.005 . 1 . . . . . 246 GLY HN . 27469 1 1158 . 1 1 246 246 GLY C C 13 172.30 0.050 . 1 . . . . . 246 GLY C . 27469 1 1159 . 1 1 246 246 GLY CA C 13 45.02 0.050 . 1 . . . . . 246 GLY CA . 27469 1 1160 . 1 1 246 246 GLY N N 15 109.47 0.050 . 1 . . . . . 246 GLY N . 27469 1 1161 . 1 1 247 247 PRO C C 13 177.26 0.050 . 1 . . . . . 247 PRO C . 27469 1 1162 . 1 1 247 247 PRO CA C 13 63.74 0.050 . 1 . . . . . 247 PRO CA . 27469 1 1163 . 1 1 247 247 PRO CB C 13 31.02 0.050 . 1 . . . . . 247 PRO CB . 27469 1 1164 . 1 1 248 248 ASN H H 1 8.35 0.005 . 1 . . . . . 248 ASN HN . 27469 1 1165 . 1 1 248 248 ASN C C 13 175.98 0.050 . 1 . . . . . 248 ASN C . 27469 1 1166 . 1 1 248 248 ASN CA C 13 51.18 0.050 . 1 . . . . . 248 ASN CA . 27469 1 1167 . 1 1 248 248 ASN CB C 13 38.43 0.050 . 1 . . . . . 248 ASN CB . 27469 1 1168 . 1 1 248 248 ASN N N 15 121.57 0.050 . 1 . . . . . 248 ASN N . 27469 1 1169 . 1 1 249 249 GLU H H 1 6.99 0.005 . 1 . . . . . 249 GLU HN . 27469 1 1170 . 1 1 249 249 GLU C C 13 178.47 0.050 . 1 . . . . . 249 GLU C . 27469 1 1171 . 1 1 249 249 GLU CA C 13 59.35 0.050 . 1 . . . . . 249 GLU CA . 27469 1 1172 . 1 1 249 249 GLU CB C 13 27.73 0.050 . 1 . . . . . 249 GLU CB . 27469 1 1173 . 1 1 249 249 GLU N N 15 115.90 0.050 . 1 . . . . . 249 GLU N . 27469 1 1174 . 1 1 250 250 GLU H H 1 8.43 0.005 . 1 . . . . . 250 GLU HN . 27469 1 1175 . 1 1 250 250 GLU C C 13 177.30 0.050 . 1 . . . . . 250 GLU C . 27469 1 1176 . 1 1 250 250 GLU CA C 13 60.47 0.050 . 1 . . . . . 250 GLU CA . 27469 1 1177 . 1 1 250 250 GLU CB C 13 28.43 0.050 . 1 . . . . . 250 GLU CB . 27469 1 1178 . 1 1 250 250 GLU N N 15 122.27 0.050 . 1 . . . . . 250 GLU N . 27469 1 1179 . 1 1 251 251 ALA H H 1 8.35 0.005 . 1 . . . . . 251 ALA HN . 27469 1 1180 . 1 1 251 251 ALA C C 13 181.88 0.050 . 1 . . . . . 251 ALA C . 27469 1 1181 . 1 1 251 251 ALA CA C 13 55.00 0.050 . 1 . . . . . 251 ALA CA . 27469 1 1182 . 1 1 251 251 ALA CB C 13 17.43 0.050 . 1 . . . . . 251 ALA CB . 27469 1 1183 . 1 1 251 251 ALA N N 15 122.60 0.050 . 1 . . . . . 251 ALA N . 27469 1 1184 . 1 1 252 252 ASP H H 1 8.80 0.005 . 1 . . . . . 252 ASP HN . 27469 1 1185 . 1 1 252 252 ASP C C 13 179.47 0.050 . 1 . . . . . 252 ASP C . 27469 1 1186 . 1 1 252 252 ASP CA C 13 57.21 0.050 . 1 . . . . . 252 ASP CA . 27469 1 1187 . 1 1 252 252 ASP CB C 13 38.82 0.050 . 1 . . . . . 252 ASP CB . 27469 1 1188 . 1 1 252 252 ASP N N 15 120.28 0.050 . 1 . . . . . 252 ASP N . 27469 1 1189 . 1 1 253 253 ALA H H 1 8.18 0.005 . 1 . . . . . 253 ALA HN . 27469 1 1190 . 1 1 253 253 ALA C C 13 179.79 0.050 . 1 . . . . . 253 ALA C . 27469 1 1191 . 1 1 253 253 ALA CA C 13 54.41 0.050 . 1 . . . . . 253 ALA CA . 27469 1 1192 . 1 1 253 253 ALA CB C 13 17.71 0.050 . 1 . . . . . 253 ALA CB . 27469 1 1193 . 1 1 253 253 ALA N N 15 124.61 0.050 . 1 . . . . . 253 ALA N . 27469 1 1194 . 1 1 254 254 LEU H H 1 8.21 0.005 . 1 . . . . . 254 LEU HN . 27469 1 1195 . 1 1 254 254 LEU C C 13 179.02 0.050 . 1 . . . . . 254 LEU C . 27469 1 1196 . 1 1 254 254 LEU CA C 13 57.75 0.050 . 1 . . . . . 254 LEU CA . 27469 1 1197 . 1 1 254 254 LEU CB C 13 39.19 0.050 . 1 . . . . . 254 LEU CB . 27469 1 1198 . 1 1 254 254 LEU N N 15 117.20 0.050 . 1 . . . . . 254 LEU N . 27469 1 1199 . 1 1 255 255 TYR H H 1 7.82 0.005 . 1 . . . . . 255 TYR HN . 27469 1 1200 . 1 1 255 255 TYR C C 13 176.39 0.050 . 1 . . . . . 255 TYR C . 27469 1 1201 . 1 1 255 255 TYR CA C 13 61.06 0.050 . 1 . . . . . 255 TYR CA . 27469 1 1202 . 1 1 255 255 TYR CB C 13 36.71 0.050 . 1 . . . . . 255 TYR CB . 27469 1 1203 . 1 1 255 255 TYR N N 15 120.39 0.050 . 1 . . . . . 255 TYR N . 27469 1 1204 . 1 1 256 256 LEU H H 1 7.36 0.005 . 1 . . . . . 256 LEU HN . 27469 1 1205 . 1 1 256 256 LEU C C 13 178.62 0.050 . 1 . . . . . 256 LEU C . 27469 1 1206 . 1 1 256 256 LEU CA C 13 57.52 0.050 . 1 . . . . . 256 LEU CA . 27469 1 1207 . 1 1 256 256 LEU CB C 13 40.09 0.050 . 1 . . . . . 256 LEU CB . 27469 1 1208 . 1 1 256 256 LEU N N 15 120.04 0.050 . 1 . . . . . 256 LEU N . 27469 1 1209 . 1 1 257 257 ILE H H 1 8.65 0.005 . 1 . . . . . 257 ILE HN . 27469 1 1210 . 1 1 257 257 ILE C C 13 177.28 0.050 . 1 . . . . . 257 ILE C . 27469 1 1211 . 1 1 257 257 ILE CA C 13 65.96 0.050 . 1 . . . . . 257 ILE CA . 27469 1 1212 . 1 1 257 257 ILE CB C 13 37.43 0.050 . 1 . . . . . 257 ILE CB . 27469 1 1213 . 1 1 257 257 ILE N N 15 118.32 0.050 . 1 . . . . . 257 ILE N . 27469 1 1214 . 1 1 258 258 GLU H H 1 8.25 0.005 . 1 . . . . . 258 GLU HN . 27469 1 1215 . 1 1 258 258 GLU C C 13 179.95 0.050 . 1 . . . . . 258 GLU C . 27469 1 1216 . 1 1 258 258 GLU CA C 13 59.36 0.050 . 1 . . . . . 258 GLU CA . 27469 1 1217 . 1 1 258 258 GLU CB C 13 28.65 0.050 . 1 . . . . . 258 GLU CB . 27469 1 1218 . 1 1 258 258 GLU N N 15 120.66 0.050 . 1 . . . . . 258 GLU N . 27469 1 1219 . 1 1 259 259 GLU H H 1 7.74 0.005 . 1 . . . . . 259 GLU HN . 27469 1 1220 . 1 1 259 259 GLU C C 13 180.80 0.050 . 1 . . . . . 259 GLU C . 27469 1 1221 . 1 1 259 259 GLU CA C 13 58.70 0.050 . 1 . . . . . 259 GLU CA . 27469 1 1222 . 1 1 259 259 GLU CB C 13 29.10 0.050 . 1 . . . . . 259 GLU CB . 27469 1 1223 . 1 1 259 259 GLU N N 15 118.82 0.050 . 1 . . . . . 259 GLU N . 27469 1 1224 . 1 1 260 260 LEU H H 1 8.89 0.005 . 1 . . . . . 260 LEU HN . 27469 1 1225 . 1 1 260 260 LEU C C 13 179.74 0.050 . 1 . . . . . 260 LEU C . 27469 1 1226 . 1 1 260 260 LEU CA C 13 57.72 0.050 . 1 . . . . . 260 LEU CA . 27469 1 1227 . 1 1 260 260 LEU CB C 13 40.80 0.050 . 1 . . . . . 260 LEU CB . 27469 1 1228 . 1 1 260 260 LEU N N 15 122.53 0.050 . 1 . . . . . 260 LEU N . 27469 1 1229 . 1 1 261 261 ALA H H 1 8.58 0.005 . 1 . . . . . 261 ALA HN . 27469 1 1230 . 1 1 261 261 ALA C C 13 181.44 0.050 . 1 . . . . . 261 ALA C . 27469 1 1231 . 1 1 261 261 ALA CA C 13 54.37 0.050 . 1 . . . . . 261 ALA CA . 27469 1 1232 . 1 1 261 261 ALA CB C 13 18.76 0.050 . 1 . . . . . 261 ALA CB . 27469 1 1233 . 1 1 261 261 ALA N N 15 121.17 0.050 . 1 . . . . . 261 ALA N . 27469 1 1234 . 1 1 262 262 LYS H H 1 7.35 0.005 . 1 . . . . . 262 LYS HN . 27469 1 1235 . 1 1 262 262 LYS C C 13 177.88 0.050 . 1 . . . . . 262 LYS C . 27469 1 1236 . 1 1 262 262 LYS CA C 13 58.40 0.050 . 1 . . . . . 262 LYS CA . 27469 1 1237 . 1 1 262 262 LYS CB C 13 31.79 0.050 . 1 . . . . . 262 LYS CB . 27469 1 1238 . 1 1 262 262 LYS N N 15 116.67 0.050 . 1 . . . . . 262 LYS N . 27469 1 1239 . 1 1 263 263 ARG H H 1 7.32 0.005 . 1 . . . . . 263 ARG HN . 27469 1 1240 . 1 1 263 263 ARG C C 13 177.69 0.050 . 1 . . . . . 263 ARG C . 27469 1 1241 . 1 1 263 263 ARG CA C 13 57.58 0.050 . 1 . . . . . 263 ARG CA . 27469 1 1242 . 1 1 263 263 ARG CB C 13 30.76 0.050 . 1 . . . . . 263 ARG CB . 27469 1 1243 . 1 1 263 263 ARG N N 15 116.87 0.050 . 1 . . . . . 263 ARG N . 27469 1 1244 . 1 1 264 264 GLY H H 1 7.62 0.005 . 1 . . . . . 264 GLY HN . 27469 1 1245 . 1 1 264 264 GLY C C 13 174.66 0.050 . 1 . . . . . 264 GLY C . 27469 1 1246 . 1 1 264 264 GLY CA C 13 46.71 0.050 . 1 . . . . . 264 GLY CA . 27469 1 1247 . 1 1 264 264 GLY N N 15 106.57 0.050 . 1 . . . . . 264 GLY N . 27469 1 1248 . 1 1 265 265 ILE H H 1 6.15 0.005 . 1 . . . . . 265 ILE HN . 27469 1 1249 . 1 1 265 265 ILE C C 13 174.87 0.050 . 1 . . . . . 265 ILE C . 27469 1 1250 . 1 1 265 265 ILE CA C 13 60.78 0.050 . 1 . . . . . 265 ILE CA . 27469 1 1251 . 1 1 265 265 ILE CB C 13 36.08 0.050 . 1 . . . . . 265 ILE CB . 27469 1 1252 . 1 1 265 265 ILE N N 15 107.45 0.050 . 1 . . . . . 265 ILE N . 27469 1 1253 . 1 1 266 266 ALA H H 1 8.23 0.005 . 1 . . . . . 266 ALA HN . 27469 1 1254 . 1 1 266 266 ALA C C 13 179.47 0.050 . 1 . . . . . 266 ALA C . 27469 1 1255 . 1 1 266 266 ALA CA C 13 54.85 0.050 . 1 . . . . . 266 ALA CA . 27469 1 1256 . 1 1 266 266 ALA CB C 13 17.81 0.050 . 1 . . . . . 266 ALA CB . 27469 1 1257 . 1 1 266 266 ALA N N 15 123.08 0.050 . 1 . . . . . 266 ALA N . 27469 1 1258 . 1 1 267 267 TYR H H 1 7.03 0.005 . 1 . . . . . 267 TYR HN . 27469 1 1259 . 1 1 267 267 TYR C C 13 170.95 0.050 . 1 . . . . . 267 TYR C . 27469 1 1260 . 1 1 267 267 TYR CA C 13 56.14 0.050 . 1 . . . . . 267 TYR CA . 27469 1 1261 . 1 1 267 267 TYR CB C 13 39.62 0.050 . 1 . . . . . 267 TYR CB . 27469 1 1262 . 1 1 267 267 TYR N N 15 105.93 0.050 . 1 . . . . . 267 TYR N . 27469 1 1263 . 1 1 268 268 LEU H H 1 8.96 0.005 . 1 . . . . . 268 LEU HN . 27469 1 1264 . 1 1 268 268 LEU C C 13 173.06 0.050 . 1 . . . . . 268 LEU C . 27469 1 1265 . 1 1 268 268 LEU CA C 13 52.71 0.050 . 1 . . . . . 268 LEU CA . 27469 1 1266 . 1 1 268 268 LEU CB C 13 44.06 0.050 . 1 . . . . . 268 LEU CB . 27469 1 1267 . 1 1 268 268 LEU N N 15 122.14 0.050 . 1 . . . . . 268 LEU N . 27469 1 1268 . 1 1 269 269 HIS H H 1 9.34 0.005 . 1 . . . . . 269 HIS HN . 27469 1 1269 . 1 1 269 269 HIS C C 13 173.57 0.050 . 1 . . . . . 269 HIS C . 27469 1 1270 . 1 1 269 269 HIS CA C 13 51.29 0.050 . 1 . . . . . 269 HIS CA . 27469 1 1271 . 1 1 269 269 HIS CB C 13 30.70 0.050 . 1 . . . . . 269 HIS CB . 27469 1 1272 . 1 1 269 269 HIS N N 15 129.78 0.050 . 1 . . . . . 269 HIS N . 27469 1 1273 . 1 1 270 270 MET H H 1 9.40 0.005 . 1 . . . . . 270 MET HN . 27469 1 1274 . 1 1 270 270 MET C C 13 172.85 0.050 . 1 . . . . . 270 MET C . 27469 1 1275 . 1 1 270 270 MET CA C 13 54.82 0.050 . 1 . . . . . 270 MET CA . 27469 1 1276 . 1 1 270 270 MET CB C 13 32.04 0.050 . 1 . . . . . 270 MET CB . 27469 1 1277 . 1 1 270 270 MET N N 15 125.82 0.050 . 1 . . . . . 270 MET N . 27469 1 1278 . 1 1 271 271 SER H H 1 8.35 0.005 . 1 . . . . . 271 SER HN . 27469 1 1279 . 1 1 271 271 SER C C 13 172.82 0.050 . 1 . . . . . 271 SER C . 27469 1 1280 . 1 1 271 271 SER CA C 13 55.61 0.050 . 1 . . . . . 271 SER CA . 27469 1 1281 . 1 1 271 271 SER CB C 13 60.89 0.050 . 1 . . . . . 271 SER CB . 27469 1 1282 . 1 1 271 271 SER N N 15 117.88 0.050 . 1 . . . . . 271 SER N . 27469 1 1283 . 1 1 274 274 ASP H H 1 8.41 0.005 . 1 . . . . . 274 ASP HN . 27469 1 1284 . 1 1 274 274 ASP C C 13 176.67 0.050 . 1 . . . . . 274 ASP C . 27469 1 1285 . 1 1 274 274 ASP CA C 13 53.00 0.050 . 1 . . . . . 274 ASP CA . 27469 1 1286 . 1 1 274 274 ASP CB C 13 40.86 0.050 . 1 . . . . . 274 ASP CB . 27469 1 1287 . 1 1 274 274 ASP N N 15 124.67 0.050 . 1 . . . . . 274 ASP N . 27469 1 1288 . 1 1 276 276 ALA C C 13 178.70 0.050 . 1 . . . . . 276 ALA C . 27469 1 1289 . 1 1 277 277 GLY H H 1 8.22 0.005 . 1 . . . . . 277 GLY HN . 27469 1 1290 . 1 1 277 277 GLY C C 13 174.90 0.050 . 1 . . . . . 277 GLY C . 27469 1 1291 . 1 1 277 277 GLY CA C 13 44.90 0.050 . 1 . . . . . 277 GLY CA . 27469 1 1292 . 1 1 277 277 GLY N N 15 108.22 0.050 . 1 . . . . . 277 GLY N . 27469 1 1293 . 1 1 278 278 GLY H H 1 8.05 0.005 . 1 . . . . . 278 GLY HN . 27469 1 1294 . 1 1 278 278 GLY C C 13 173.24 0.050 . 1 . . . . . 278 GLY C . 27469 1 1295 . 1 1 278 278 GLY CA C 13 44.98 0.050 . 1 . . . . . 278 GLY CA . 27469 1 1296 . 1 1 278 278 GLY N N 15 109.03 0.050 . 1 . . . . . 278 GLY N . 27469 1 1297 . 1 1 279 279 LYS H H 1 8.41 0.005 . 1 . . . . . 279 LYS HN . 27469 1 1298 . 1 1 279 279 LYS C C 13 174.11 0.050 . 1 . . . . . 279 LYS C . 27469 1 1299 . 1 1 279 279 LYS CA C 13 53.69 0.050 . 1 . . . . . 279 LYS CA . 27469 1 1300 . 1 1 279 279 LYS CB C 13 32.19 0.050 . 1 . . . . . 279 LYS CB . 27469 1 1301 . 1 1 279 279 LYS N N 15 122.78 0.050 . 1 . . . . . 279 LYS N . 27469 1 1302 . 1 1 280 280 PRO C C 13 177.34 0.050 . 1 . . . . . 280 PRO C . 27469 1 1303 . 1 1 281 281 TYR H H 1 8.84 0.005 . 1 . . . . . 281 TYR HN . 27469 1 1304 . 1 1 281 281 TYR C C 13 177.20 0.050 . 1 . . . . . 281 TYR C . 27469 1 1305 . 1 1 281 281 TYR CB C 13 36.42 0.050 . 1 . . . . . 281 TYR CB . 27469 1 1306 . 1 1 281 281 TYR N N 15 122.75 0.050 . 1 . . . . . 281 TYR N . 27469 1 1307 . 1 1 282 282 SER H H 1 8.91 0.005 . 1 . . . . . 282 SER HN . 27469 1 1308 . 1 1 282 282 SER C C 13 175.35 0.050 . 1 . . . . . 282 SER C . 27469 1 1309 . 1 1 282 282 SER CA C 13 56.45 0.050 . 1 . . . . . 282 SER CA . 27469 1 1310 . 1 1 282 282 SER CB C 13 64.03 0.050 . 1 . . . . . 282 SER CB . 27469 1 1311 . 1 1 282 282 SER N N 15 120.62 0.050 . 1 . . . . . 282 SER N . 27469 1 1312 . 1 1 283 283 GLU H H 1 9.12 0.005 . 1 . . . . . 283 GLU HN . 27469 1 1313 . 1 1 283 283 GLU C C 13 178.68 0.050 . 1 . . . . . 283 GLU C . 27469 1 1314 . 1 1 283 283 GLU CA C 13 60.43 0.050 . 1 . . . . . 283 GLU CA . 27469 1 1315 . 1 1 283 283 GLU CB C 13 28.18 0.050 . 1 . . . . . 283 GLU CB . 27469 1 1316 . 1 1 283 283 GLU N N 15 124.50 0.050 . 1 . . . . . 283 GLU N . 27469 1 1317 . 1 1 284 284 ALA H H 1 8.36 0.005 . 1 . . . . . 284 ALA HN . 27469 1 1318 . 1 1 284 284 ALA C C 13 180.50 0.050 . 1 . . . . . 284 ALA C . 27469 1 1319 . 1 1 284 284 ALA CA C 13 54.58 0.050 . 1 . . . . . 284 ALA CA . 27469 1 1320 . 1 1 284 284 ALA CB C 13 17.35 0.050 . 1 . . . . . 284 ALA CB . 27469 1 1321 . 1 1 284 284 ALA N N 15 120.56 0.050 . 1 . . . . . 284 ALA N . 27469 1 1322 . 1 1 285 285 PHE H H 1 8.21 0.005 . 1 . . . . . 285 PHE HN . 27469 1 1323 . 1 1 285 285 PHE C C 13 177.29 0.050 . 1 . . . . . 285 PHE C . 27469 1 1324 . 1 1 285 285 PHE CA C 13 61.11 0.050 . 1 . . . . . 285 PHE CA . 27469 1 1325 . 1 1 285 285 PHE CB C 13 38.26 0.050 . 1 . . . . . 285 PHE CB . 27469 1 1326 . 1 1 285 285 PHE N N 15 121.01 0.050 . 1 . . . . . 285 PHE N . 27469 1 1327 . 1 1 286 286 ARG H H 1 8.18 0.005 . 1 . . . . . 286 ARG HN . 27469 1 1328 . 1 1 286 286 ARG C C 13 180.32 0.050 . 1 . . . . . 286 ARG C . 27469 1 1329 . 1 1 286 286 ARG CA C 13 59.85 0.050 . 1 . . . . . 286 ARG CA . 27469 1 1330 . 1 1 286 286 ARG CB C 13 30.07 0.050 . 1 . . . . . 286 ARG CB . 27469 1 1331 . 1 1 286 286 ARG N N 15 116.50 0.050 . 1 . . . . . 286 ARG N . 27469 1 1332 . 1 1 287 287 GLN H H 1 8.49 0.005 . 1 . . . . . 287 GLN HN . 27469 1 1333 . 1 1 287 287 GLN C C 13 178.07 0.050 . 1 . . . . . 287 GLN C . 27469 1 1334 . 1 1 287 287 GLN CA C 13 58.49 0.050 . 1 . . . . . 287 GLN CA . 27469 1 1335 . 1 1 287 287 GLN CB C 13 27.15 0.050 . 1 . . . . . 287 GLN CB . 27469 1 1336 . 1 1 287 287 GLN N N 15 119.72 0.050 . 1 . . . . . 287 GLN N . 27469 1 1337 . 1 1 288 288 LYS H H 1 7.67 0.005 . 1 . . . . . 288 LYS HN . 27469 1 1338 . 1 1 288 288 LYS C C 13 179.82 0.050 . 1 . . . . . 288 LYS C . 27469 1 1339 . 1 1 288 288 LYS CA C 13 59.23 0.050 . 1 . . . . . 288 LYS CA . 27469 1 1340 . 1 1 288 288 LYS CB C 13 31.91 0.050 . 1 . . . . . 288 LYS CB . 27469 1 1341 . 1 1 288 288 LYS N N 15 120.83 0.050 . 1 . . . . . 288 LYS N . 27469 1 1342 . 1 1 289 289 VAL H H 1 7.85 0.005 . 1 . . . . . 289 VAL HN . 27469 1 1343 . 1 1 289 289 VAL C C 13 177.27 0.050 . 1 . . . . . 289 VAL C . 27469 1 1344 . 1 1 289 289 VAL CA C 13 66.83 0.050 . 1 . . . . . 289 VAL CA . 27469 1 1345 . 1 1 289 289 VAL CB C 13 30.49 0.050 . 1 . . . . . 289 VAL CB . 27469 1 1346 . 1 1 289 289 VAL N N 15 120.45 0.050 . 1 . . . . . 289 VAL N . 27469 1 1347 . 1 1 290 290 ARG H H 1 7.75 0.005 . 1 . . . . . 290 ARG HN . 27469 1 1348 . 1 1 290 290 ARG C C 13 177.44 0.050 . 1 . . . . . 290 ARG C . 27469 1 1349 . 1 1 290 290 ARG CA C 13 56.63 0.050 . 1 . . . . . 290 ARG CA . 27469 1 1350 . 1 1 290 290 ARG CB C 13 29.43 0.050 . 1 . . . . . 290 ARG CB . 27469 1 1351 . 1 1 290 290 ARG N N 15 119.21 0.050 . 1 . . . . . 290 ARG N . 27469 1 1352 . 1 1 291 291 GLU H H 1 7.98 0.005 . 1 . . . . . 291 GLU HN . 27469 1 1353 . 1 1 291 291 GLU C C 13 177.72 0.050 . 1 . . . . . 291 GLU C . 27469 1 1354 . 1 1 291 291 GLU CA C 13 57.63 0.050 . 1 . . . . . 291 GLU CA . 27469 1 1355 . 1 1 291 291 GLU CB C 13 29.02 0.050 . 1 . . . . . 291 GLU CB . 27469 1 1356 . 1 1 291 291 GLU N N 15 116.50 0.050 . 1 . . . . . 291 GLU N . 27469 1 1357 . 1 1 292 292 ARG H H 1 7.12 0.005 . 1 . . . . . 292 ARG HN . 27469 1 1358 . 1 1 292 292 ARG C C 13 174.71 0.050 . 1 . . . . . 292 ARG C . 27469 1 1359 . 1 1 292 292 ARG CA C 13 55.60 0.050 . 1 . . . . . 292 ARG CA . 27469 1 1360 . 1 1 292 292 ARG CB C 13 31.11 0.050 . 1 . . . . . 292 ARG CB . 27469 1 1361 . 1 1 292 292 ARG N N 15 115.63 0.050 . 1 . . . . . 292 ARG N . 27469 1 1362 . 1 1 293 293 PHE H H 1 7.99 0.005 . 1 . . . . . 293 PHE HN . 27469 1 1363 . 1 1 293 293 PHE C C 13 173.63 0.050 . 1 . . . . . 293 PHE C . 27469 1 1364 . 1 1 293 293 PHE CA C 13 57.81 0.050 . 1 . . . . . 293 PHE CA . 27469 1 1365 . 1 1 293 293 PHE CB C 13 40.14 0.050 . 1 . . . . . 293 PHE CB . 27469 1 1366 . 1 1 293 293 PHE N N 15 121.15 0.050 . 1 . . . . . 293 PHE N . 27469 1 1367 . 1 1 294 294 HIS H H 1 7.90 0.005 . 1 . . . . . 294 HIS HN . 27469 1 1368 . 1 1 294 294 HIS C C 13 175.63 0.050 . 1 . . . . . 294 HIS C . 27469 1 1369 . 1 1 294 294 HIS CA C 13 55.26 0.050 . 1 . . . . . 294 HIS CA . 27469 1 1370 . 1 1 294 294 HIS CB C 13 29.00 0.050 . 1 . . . . . 294 HIS CB . 27469 1 1371 . 1 1 294 294 HIS N N 15 124.24 0.050 . 1 . . . . . 294 HIS N . 27469 1 1372 . 1 1 295 295 GLY H H 1 6.03 0.005 . 1 . . . . . 295 GLY HN . 27469 1 1373 . 1 1 295 295 GLY C C 13 172.18 0.050 . 1 . . . . . 295 GLY C . 27469 1 1374 . 1 1 295 295 GLY CA C 13 43.59 0.050 . 1 . . . . . 295 GLY CA . 27469 1 1375 . 1 1 295 295 GLY N N 15 108.03 0.050 . 1 . . . . . 295 GLY N . 27469 1 1376 . 1 1 296 296 VAL H H 1 7.74 0.005 . 1 . . . . . 296 VAL HN . 27469 1 1377 . 1 1 296 296 VAL C C 13 175.19 0.050 . 1 . . . . . 296 VAL C . 27469 1 1378 . 1 1 296 296 VAL CA C 13 63.35 0.050 . 1 . . . . . 296 VAL CA . 27469 1 1379 . 1 1 296 296 VAL CB C 13 31.24 0.050 . 1 . . . . . 296 VAL CB . 27469 1 1380 . 1 1 296 296 VAL N N 15 121.00 0.050 . 1 . . . . . 296 VAL N . 27469 1 1381 . 1 1 297 297 ILE H H 1 9.60 0.005 . 1 . . . . . 297 ILE HN . 27469 1 1382 . 1 1 297 297 ILE C C 13 175.88 0.050 . 1 . . . . . 297 ILE C . 27469 1 1383 . 1 1 297 297 ILE CA C 13 60.12 0.050 . 1 . . . . . 297 ILE CA . 27469 1 1384 . 1 1 297 297 ILE CB C 13 40.11 0.050 . 1 . . . . . 297 ILE CB . 27469 1 1385 . 1 1 297 297 ILE N N 15 128.21 0.050 . 1 . . . . . 297 ILE N . 27469 1 1386 . 1 1 298 298 ILE H H 1 8.97 0.005 . 1 . . . . . 298 ILE HN . 27469 1 1387 . 1 1 298 298 ILE C C 13 175.46 0.050 . 1 . . . . . 298 ILE C . 27469 1 1388 . 1 1 298 298 ILE CA C 13 58.42 0.050 . 1 . . . . . 298 ILE CA . 27469 1 1389 . 1 1 298 298 ILE CB C 13 39.67 0.050 . 1 . . . . . 298 ILE CB . 27469 1 1390 . 1 1 298 298 ILE N N 15 129.29 0.050 . 1 . . . . . 298 ILE N . 27469 1 1391 . 1 1 299 299 GLY H H 1 8.08 0.005 . 1 . . . . . 299 GLY HN . 27469 1 1392 . 1 1 299 299 GLY C C 13 170.82 0.050 . 1 . . . . . 299 GLY C . 27469 1 1393 . 1 1 299 299 GLY CA C 13 43.67 0.050 . 1 . . . . . 299 GLY CA . 27469 1 1394 . 1 1 299 299 GLY N N 15 114.13 0.050 . 1 . . . . . 299 GLY N . 27469 1 1395 . 1 1 300 300 ALA H H 1 7.71 0.005 . 1 . . . . . 300 ALA HN . 27469 1 1396 . 1 1 300 300 ALA C C 13 175.55 0.050 . 1 . . . . . 300 ALA C . 27469 1 1397 . 1 1 300 300 ALA CA C 13 51.97 0.050 . 1 . . . . . 300 ALA CA . 27469 1 1398 . 1 1 300 300 ALA CB C 13 24.28 0.050 . 1 . . . . . 300 ALA CB . 27469 1 1399 . 1 1 300 300 ALA N N 15 122.00 0.050 . 1 . . . . . 300 ALA N . 27469 1 1400 . 1 1 301 301 GLY H H 1 9.31 0.005 . 1 . . . . . 301 GLY HN . 27469 1 1401 . 1 1 301 301 GLY C C 13 171.67 0.050 . 1 . . . . . 301 GLY C . 27469 1 1402 . 1 1 301 301 GLY CA C 13 45.98 0.050 . 1 . . . . . 301 GLY CA . 27469 1 1403 . 1 1 301 301 GLY N N 15 111.06 0.050 . 1 . . . . . 301 GLY N . 27469 1 1404 . 1 1 302 302 ALA H H 1 9.80 0.005 . 1 . . . . . 302 ALA HN . 27469 1 1405 . 1 1 302 302 ALA C C 13 177.97 0.050 . 1 . . . . . 302 ALA C . 27469 1 1406 . 1 1 302 302 ALA CA C 13 52.16 0.050 . 1 . . . . . 302 ALA CA . 27469 1 1407 . 1 1 302 302 ALA CB C 13 15.94 0.050 . 1 . . . . . 302 ALA CB . 27469 1 1408 . 1 1 302 302 ALA N N 15 129.84 0.050 . 1 . . . . . 302 ALA N . 27469 1 1409 . 1 1 303 303 TYR H H 1 7.98 0.005 . 1 . . . . . 303 TYR HN . 27469 1 1410 . 1 1 303 303 TYR C C 13 176.12 0.050 . 1 . . . . . 303 TYR C . 27469 1 1411 . 1 1 303 303 TYR CA C 13 60.97 0.050 . 1 . . . . . 303 TYR CA . 27469 1 1412 . 1 1 303 303 TYR CB C 13 39.30 0.050 . 1 . . . . . 303 TYR CB . 27469 1 1413 . 1 1 303 303 TYR N N 15 117.03 0.050 . 1 . . . . . 303 TYR N . 27469 1 1414 . 1 1 304 304 THR H H 1 6.55 0.005 . 1 . . . . . 304 THR HN . 27469 1 1415 . 1 1 304 304 THR C C 13 175.67 0.050 . 1 . . . . . 304 THR C . 27469 1 1416 . 1 1 304 304 THR CA C 13 58.24 0.050 . 1 . . . . . 304 THR CA . 27469 1 1417 . 1 1 304 304 THR CB C 13 72.15 0.050 . 1 . . . . . 304 THR CB . 27469 1 1418 . 1 1 304 304 THR N N 15 106.56 0.050 . 1 . . . . . 304 THR N . 27469 1 1419 . 1 1 305 305 ALA H H 1 9.54 0.005 . 1 . . . . . 305 ALA HN . 27469 1 1420 . 1 1 305 305 ALA C C 13 178.89 0.050 . 1 . . . . . 305 ALA C . 27469 1 1421 . 1 1 305 305 ALA CA C 13 55.81 0.050 . 1 . . . . . 305 ALA CA . 27469 1 1422 . 1 1 305 305 ALA CB C 13 17.40 0.050 . 1 . . . . . 305 ALA CB . 27469 1 1423 . 1 1 305 305 ALA N N 15 125.32 0.050 . 1 . . . . . 305 ALA N . 27469 1 1424 . 1 1 306 306 GLU H H 1 8.62 0.005 . 1 . . . . . 306 GLU HN . 27469 1 1425 . 1 1 306 306 GLU C C 13 179.20 0.050 . 1 . . . . . 306 GLU C . 27469 1 1426 . 1 1 306 306 GLU CA C 13 59.65 0.050 . 1 . . . . . 306 GLU CA . 27469 1 1427 . 1 1 306 306 GLU CB C 13 28.46 0.050 . 1 . . . . . 306 GLU CB . 27469 1 1428 . 1 1 306 306 GLU N N 15 117.12 0.050 . 1 . . . . . 306 GLU N . 27469 1 1429 . 1 1 307 307 LYS H H 1 7.87 0.005 . 1 . . . . . 307 LYS HN . 27469 1 1430 . 1 1 307 307 LYS C C 13 178.45 0.050 . 1 . . . . . 307 LYS C . 27469 1 1431 . 1 1 307 307 LYS CA C 13 58.78 0.050 . 1 . . . . . 307 LYS CA . 27469 1 1432 . 1 1 307 307 LYS CB C 13 32.97 0.050 . 1 . . . . . 307 LYS CB . 27469 1 1433 . 1 1 307 307 LYS N N 15 122.66 0.050 . 1 . . . . . 307 LYS N . 27469 1 1434 . 1 1 308 308 ALA H H 1 8.28 0.005 . 1 . . . . . 308 ALA HN . 27469 1 1435 . 1 1 308 308 ALA C C 13 178.12 0.050 . 1 . . . . . 308 ALA C . 27469 1 1436 . 1 1 308 308 ALA CA C 13 54.95 0.050 . 1 . . . . . 308 ALA CA . 27469 1 1437 . 1 1 308 308 ALA CB C 13 18.94 0.050 . 1 . . . . . 308 ALA CB . 27469 1 1438 . 1 1 308 308 ALA N N 15 119.51 0.050 . 1 . . . . . 308 ALA N . 27469 1 1439 . 1 1 309 309 GLU H H 1 8.56 0.005 . 1 . . . . . 309 GLU HN . 27469 1 1440 . 1 1 309 309 GLU C C 13 179.72 0.050 . 1 . . . . . 309 GLU C . 27469 1 1441 . 1 1 309 309 GLU CA C 13 58.91 0.050 . 1 . . . . . 309 GLU CA . 27469 1 1442 . 1 1 309 309 GLU CB C 13 28.63 0.050 . 1 . . . . . 309 GLU CB . 27469 1 1443 . 1 1 309 309 GLU N N 15 117.38 0.050 . 1 . . . . . 309 GLU N . 27469 1 1444 . 1 1 310 310 ASP H H 1 7.82 0.005 . 1 . . . . . 310 ASP HN . 27469 1 1445 . 1 1 310 310 ASP C C 13 178.78 0.050 . 1 . . . . . 310 ASP C . 27469 1 1446 . 1 1 310 310 ASP CA C 13 57.10 0.050 . 1 . . . . . 310 ASP CA . 27469 1 1447 . 1 1 310 310 ASP CB C 13 41.72 0.050 . 1 . . . . . 310 ASP CB . 27469 1 1448 . 1 1 310 310 ASP N N 15 119.21 0.050 . 1 . . . . . 310 ASP N . 27469 1 1449 . 1 1 311 311 LEU H H 1 7.93 0.005 . 1 . . . . . 311 LEU HN . 27469 1 1450 . 1 1 311 311 LEU C C 13 180.07 0.050 . 1 . . . . . 311 LEU C . 27469 1 1451 . 1 1 311 311 LEU CA C 13 57.95 0.050 . 1 . . . . . 311 LEU CA . 27469 1 1452 . 1 1 311 311 LEU CB C 13 42.14 0.050 . 1 . . . . . 311 LEU CB . 27469 1 1453 . 1 1 311 311 LEU N N 15 118.35 0.050 . 1 . . . . . 311 LEU N . 27469 1 1454 . 1 1 312 312 ILE H H 1 8.84 0.005 . 1 . . . . . 312 ILE HN . 27469 1 1455 . 1 1 312 312 ILE C C 13 182.29 0.050 . 1 . . . . . 312 ILE C . 27469 1 1456 . 1 1 312 312 ILE CA C 13 63.63 0.050 . 1 . . . . . 312 ILE CA . 27469 1 1457 . 1 1 312 312 ILE CB C 13 37.41 0.050 . 1 . . . . . 312 ILE CB . 27469 1 1458 . 1 1 312 312 ILE N N 15 122.06 0.050 . 1 . . . . . 312 ILE N . 27469 1 1459 . 1 1 313 313 GLY H H 1 8.66 0.005 . 1 . . . . . 313 GLY HN . 27469 1 1460 . 1 1 313 313 GLY C C 13 176.21 0.050 . 1 . . . . . 313 GLY C . 27469 1 1461 . 1 1 313 313 GLY CA C 13 46.96 0.050 . 1 . . . . . 313 GLY CA . 27469 1 1462 . 1 1 313 313 GLY N N 15 111.95 0.050 . 1 . . . . . 313 GLY N . 27469 1 1463 . 1 1 314 314 LYS H H 1 7.52 0.005 . 1 . . . . . 314 LYS HN . 27469 1 1464 . 1 1 314 314 LYS C C 13 176.94 0.050 . 1 . . . . . 314 LYS C . 27469 1 1465 . 1 1 314 314 LYS CA C 13 56.96 0.050 . 1 . . . . . 314 LYS CA . 27469 1 1466 . 1 1 314 314 LYS CB C 13 33.84 0.050 . 1 . . . . . 314 LYS CB . 27469 1 1467 . 1 1 314 314 LYS N N 15 118.60 0.050 . 1 . . . . . 314 LYS N . 27469 1 1468 . 1 1 315 315 GLY H H 1 7.98 0.005 . 1 . . . . . 315 GLY HN . 27469 1 1469 . 1 1 315 315 GLY C C 13 175.08 0.050 . 1 . . . . . 315 GLY C . 27469 1 1470 . 1 1 315 315 GLY CA C 13 45.08 0.050 . 1 . . . . . 315 GLY CA . 27469 1 1471 . 1 1 315 315 GLY N N 15 108.43 0.050 . 1 . . . . . 315 GLY N . 27469 1 1472 . 1 1 316 316 LEU H H 1 7.62 0.005 . 1 . . . . . 316 LEU HN . 27469 1 1473 . 1 1 316 316 LEU C C 13 175.77 0.050 . 1 . . . . . 316 LEU C . 27469 1 1474 . 1 1 316 316 LEU CA C 13 56.34 0.050 . 1 . . . . . 316 LEU CA . 27469 1 1475 . 1 1 316 316 LEU CB C 13 42.47 0.050 . 1 . . . . . 316 LEU CB . 27469 1 1476 . 1 1 316 316 LEU N N 15 118.90 0.050 . 1 . . . . . 316 LEU N . 27469 1 1477 . 1 1 317 317 ILE H H 1 6.90 0.005 . 1 . . . . . 317 ILE HN . 27469 1 1478 . 1 1 317 317 ILE C C 13 173.81 0.050 . 1 . . . . . 317 ILE C . 27469 1 1479 . 1 1 317 317 ILE CA C 13 58.76 0.050 . 1 . . . . . 317 ILE CA . 27469 1 1480 . 1 1 317 317 ILE CB C 13 40.43 0.050 . 1 . . . . . 317 ILE CB . 27469 1 1481 . 1 1 317 317 ILE N N 15 106.88 0.050 . 1 . . . . . 317 ILE N . 27469 1 1482 . 1 1 318 318 ASP H H 1 9.33 0.005 . 1 . . . . . 318 ASP HN . 27469 1 1483 . 1 1 318 318 ASP C C 13 173.90 0.050 . 1 . . . . . 318 ASP C . 27469 1 1484 . 1 1 318 318 ASP CA C 13 55.07 0.050 . 1 . . . . . 318 ASP CA . 27469 1 1485 . 1 1 318 318 ASP CB C 13 44.89 0.050 . 1 . . . . . 318 ASP CB . 27469 1 1486 . 1 1 318 318 ASP N N 15 117.33 0.050 . 1 . . . . . 318 ASP N . 27469 1 1487 . 1 1 319 319 ALA H H 1 7.63 0.005 . 1 . . . . . 319 ALA HN . 27469 1 1488 . 1 1 319 319 ALA C C 13 172.30 0.050 . 1 . . . . . 319 ALA C . 27469 1 1489 . 1 1 319 319 ALA CA C 13 50.16 0.050 . 1 . . . . . 319 ALA CA . 27469 1 1490 . 1 1 319 319 ALA CB C 13 20.32 0.050 . 1 . . . . . 319 ALA CB . 27469 1 1491 . 1 1 319 319 ALA N N 15 118.28 0.050 . 1 . . . . . 319 ALA N . 27469 1 1492 . 1 1 320 320 VAL H H 1 7.61 0.005 . 1 . . . . . 320 VAL HN . 27469 1 1493 . 1 1 320 320 VAL C C 13 170.88 0.050 . 1 . . . . . 320 VAL C . 27469 1 1494 . 1 1 320 320 VAL CA C 13 57.11 0.050 . 1 . . . . . 320 VAL CA . 27469 1 1495 . 1 1 320 320 VAL CB C 13 34.45 0.050 . 1 . . . . . 320 VAL CB . 27469 1 1496 . 1 1 320 320 VAL N N 15 117.71 0.050 . 1 . . . . . 320 VAL N . 27469 1 1497 . 1 1 321 321 ALA H H 1 7.92 0.005 . 1 . . . . . 321 ALA HN . 27469 1 1498 . 1 1 321 321 ALA C C 13 175.59 0.050 . 1 . . . . . 321 ALA C . 27469 1 1499 . 1 1 321 321 ALA CA C 13 47.96 0.050 . 1 . . . . . 321 ALA CA . 27469 1 1500 . 1 1 321 321 ALA CB C 13 19.42 0.050 . 1 . . . . . 321 ALA CB . 27469 1 1501 . 1 1 321 321 ALA N N 15 126.22 0.050 . 1 . . . . . 321 ALA N . 27469 1 1502 . 1 1 322 322 PHE H H 1 8.74 0.005 . 1 . . . . . 322 PHE HN . 27469 1 1503 . 1 1 322 322 PHE C C 13 175.24 0.050 . 1 . . . . . 322 PHE C . 27469 1 1504 . 1 1 322 322 PHE CA C 13 57.27 0.050 . 1 . . . . . 322 PHE CA . 27469 1 1505 . 1 1 322 322 PHE CB C 13 40.61 0.050 . 1 . . . . . 322 PHE CB . 27469 1 1506 . 1 1 322 322 PHE N N 15 120.67 0.050 . 1 . . . . . 322 PHE N . 27469 1 1507 . 1 1 323 323 GLY H H 1 10.78 0.005 . 1 . . . . . 323 GLY HN . 27469 1 1508 . 1 1 323 323 GLY C C 13 173.70 0.050 . 1 . . . . . 323 GLY C . 27469 1 1509 . 1 1 323 323 GLY CA C 13 45.28 0.050 . 1 . . . . . 323 GLY CA . 27469 1 1510 . 1 1 323 323 GLY N N 15 115.14 0.050 . 1 . . . . . 323 GLY N . 27469 1 1511 . 1 1 324 324 ARG H H 1 10.99 0.005 . 1 . . . . . 324 ARG HN . 27469 1 1512 . 1 1 324 324 ARG C C 13 178.37 0.050 . 1 . . . . . 324 ARG C . 27469 1 1513 . 1 1 324 324 ARG CA C 13 61.10 0.050 . 1 . . . . . 324 ARG CA . 27469 1 1514 . 1 1 324 324 ARG CB C 13 28.17 0.050 . 1 . . . . . 324 ARG CB . 27469 1 1515 . 1 1 324 324 ARG N N 15 132.02 0.050 . 1 . . . . . 324 ARG N . 27469 1 1516 . 1 1 325 325 ASP H H 1 10.10 0.005 . 1 . . . . . 325 ASP HN . 27469 1 1517 . 1 1 325 325 ASP C C 13 180.00 0.050 . 1 . . . . . 325 ASP C . 27469 1 1518 . 1 1 325 325 ASP CA C 13 56.93 0.050 . 1 . . . . . 325 ASP CA . 27469 1 1519 . 1 1 325 325 ASP CB C 13 40.14 0.050 . 1 . . . . . 325 ASP CB . 27469 1 1520 . 1 1 325 325 ASP N N 15 116.05 0.050 . 1 . . . . . 325 ASP N . 27469 1 1521 . 1 1 326 326 TYR H H 1 7.59 0.005 . 1 . . . . . 326 TYR HN . 27469 1 1522 . 1 1 326 326 TYR C C 13 180.60 0.050 . 1 . . . . . 326 TYR C . 27469 1 1523 . 1 1 326 326 TYR CA C 13 61.03 0.050 . 1 . . . . . 326 TYR CA . 27469 1 1524 . 1 1 326 326 TYR CB C 13 38.49 0.050 . 1 . . . . . 326 TYR CB . 27469 1 1525 . 1 1 326 326 TYR N N 15 121.36 0.050 . 1 . . . . . 326 TYR N . 27469 1 1526 . 1 1 327 327 ILE H H 1 7.50 0.005 . 1 . . . . . 327 ILE HN . 27469 1 1527 . 1 1 327 327 ILE C C 13 178.27 0.050 . 1 . . . . . 327 ILE C . 27469 1 1528 . 1 1 327 327 ILE CA C 13 66.30 0.050 . 1 . . . . . 327 ILE CA . 27469 1 1529 . 1 1 327 327 ILE CB C 13 36.10 0.050 . 1 . . . . . 327 ILE CB . 27469 1 1530 . 1 1 327 327 ILE N N 15 120.95 0.050 . 1 . . . . . 327 ILE N . 27469 1 1531 . 1 1 328 328 ALA H H 1 6.18 0.005 . 1 . . . . . 328 ALA HN . 27469 1 1532 . 1 1 328 328 ALA C C 13 175.46 0.050 . 1 . . . . . 328 ALA C . 27469 1 1533 . 1 1 328 328 ALA CA C 13 50.00 0.050 . 1 . . . . . 328 ALA CA . 27469 1 1534 . 1 1 328 328 ALA CB C 13 21.41 0.050 . 1 . . . . . 328 ALA CB . 27469 1 1535 . 1 1 328 328 ALA N N 15 115.06 0.050 . 1 . . . . . 328 ALA N . 27469 1 1536 . 1 1 329 329 ASN H H 1 6.90 0.005 . 1 . . . . . 329 ASN HN . 27469 1 1537 . 1 1 329 329 ASN C C 13 170.54 0.050 . 1 . . . . . 329 ASN C . 27469 1 1538 . 1 1 329 329 ASN CA C 13 49.49 0.050 . 1 . . . . . 329 ASN CA . 27469 1 1539 . 1 1 329 329 ASN CB C 13 40.30 0.050 . 1 . . . . . 329 ASN CB . 27469 1 1540 . 1 1 329 329 ASN N N 15 114.98 0.050 . 1 . . . . . 329 ASN N . 27469 1 1541 . 1 1 330 330 PRO C C 13 176.26 0.050 . 1 . . . . . 330 PRO C . 27469 1 1542 . 1 1 330 330 PRO CA C 13 64.00 0.050 . 1 . . . . . 330 PRO CA . 27469 1 1543 . 1 1 330 330 PRO CB C 13 30.59 0.050 . 1 . . . . . 330 PRO CB . 27469 1 1544 . 1 1 331 331 ASP H H 1 9.00 0.005 . 1 . . . . . 331 ASP HN . 27469 1 1545 . 1 1 331 331 ASP C C 13 176.04 0.050 . 1 . . . . . 331 ASP C . 27469 1 1546 . 1 1 331 331 ASP CA C 13 51.09 0.050 . 1 . . . . . 331 ASP CA . 27469 1 1547 . 1 1 331 331 ASP CB C 13 37.49 0.050 . 1 . . . . . 331 ASP CB . 27469 1 1548 . 1 1 331 331 ASP N N 15 116.17 0.050 . 1 . . . . . 331 ASP N . 27469 1 1549 . 1 1 332 332 LEU H H 1 6.43 0.005 . 1 . . . . . 332 LEU HN . 27469 1 1550 . 1 1 332 332 LEU C C 13 177.13 0.050 . 1 . . . . . 332 LEU C . 27469 1 1551 . 1 1 332 332 LEU CA C 13 58.15 0.050 . 1 . . . . . 332 LEU CA . 27469 1 1552 . 1 1 332 332 LEU CB C 13 39.71 0.050 . 1 . . . . . 332 LEU CB . 27469 1 1553 . 1 1 332 332 LEU N N 15 119.48 0.050 . 1 . . . . . 332 LEU N . 27469 1 1554 . 1 1 333 333 VAL H H 1 7.46 0.005 . 1 . . . . . 333 VAL HN . 27469 1 1555 . 1 1 333 333 VAL C C 13 176.35 0.050 . 1 . . . . . 333 VAL C . 27469 1 1556 . 1 1 333 333 VAL CA C 13 67.91 0.050 . 1 . . . . . 333 VAL CA . 27469 1 1557 . 1 1 333 333 VAL CB C 13 30.78 0.050 . 1 . . . . . 333 VAL CB . 27469 1 1558 . 1 1 333 333 VAL N N 15 114.40 0.050 . 1 . . . . . 333 VAL N . 27469 1 1559 . 1 1 334 334 ALA H H 1 7.26 0.005 . 1 . . . . . 334 ALA HN . 27469 1 1560 . 1 1 334 334 ALA C C 13 180.81 0.050 . 1 . . . . . 334 ALA C . 27469 1 1561 . 1 1 334 334 ALA CA C 13 54.26 0.050 . 1 . . . . . 334 ALA CA . 27469 1 1562 . 1 1 334 334 ALA CB C 13 17.68 0.050 . 1 . . . . . 334 ALA CB . 27469 1 1563 . 1 1 334 334 ALA N N 15 121.12 0.050 . 1 . . . . . 334 ALA N . 27469 1 1564 . 1 1 335 335 ARG H H 1 8.07 0.005 . 1 . . . . . 335 ARG HN . 27469 1 1565 . 1 1 335 335 ARG C C 13 179.42 0.050 . 1 . . . . . 335 ARG C . 27469 1 1566 . 1 1 335 335 ARG CA C 13 59.56 0.050 . 1 . . . . . 335 ARG CA . 27469 1 1567 . 1 1 335 335 ARG CB C 13 28.70 0.050 . 1 . . . . . 335 ARG CB . 27469 1 1568 . 1 1 335 335 ARG N N 15 115.61 0.050 . 1 . . . . . 335 ARG N . 27469 1 1569 . 1 1 336 336 LEU H H 1 8.65 0.005 . 1 . . . . . 336 LEU HN . 27469 1 1570 . 1 1 336 336 LEU C C 13 180.81 0.050 . 1 . . . . . 336 LEU C . 27469 1 1571 . 1 1 336 336 LEU CA C 13 56.97 0.050 . 1 . . . . . 336 LEU CA . 27469 1 1572 . 1 1 336 336 LEU CB C 13 40.41 0.050 . 1 . . . . . 336 LEU CB . 27469 1 1573 . 1 1 336 336 LEU N N 15 118.43 0.050 . 1 . . . . . 336 LEU N . 27469 1 1574 . 1 1 337 337 GLN H H 1 8.27 0.005 . 1 . . . . . 337 GLN HN . 27469 1 1575 . 1 1 337 337 GLN C C 13 178.11 0.050 . 1 . . . . . 337 GLN C . 27469 1 1576 . 1 1 337 337 GLN CA C 13 59.09 0.050 . 1 . . . . . 337 GLN CA . 27469 1 1577 . 1 1 337 337 GLN CB C 13 27.56 0.050 . 1 . . . . . 337 GLN CB . 27469 1 1578 . 1 1 337 337 GLN N N 15 121.49 0.050 . 1 . . . . . 337 GLN N . 27469 1 1579 . 1 1 338 338 LYS H H 1 7.76 0.005 . 1 . . . . . 338 LYS HN . 27469 1 1580 . 1 1 338 338 LYS C C 13 175.73 0.050 . 1 . . . . . 338 LYS C . 27469 1 1581 . 1 1 338 338 LYS CA C 13 55.75 0.050 . 1 . . . . . 338 LYS CA . 27469 1 1582 . 1 1 338 338 LYS CB C 13 31.95 0.050 . 1 . . . . . 338 LYS CB . 27469 1 1583 . 1 1 338 338 LYS N N 15 115.59 0.050 . 1 . . . . . 338 LYS N . 27469 1 1584 . 1 1 339 339 LYS H H 1 7.61 0.005 . 1 . . . . . 339 LYS HN . 27469 1 1585 . 1 1 339 339 LYS C C 13 175.96 0.050 . 1 . . . . . 339 LYS C . 27469 1 1586 . 1 1 339 339 LYS CA C 13 56.68 0.050 . 1 . . . . . 339 LYS CA . 27469 1 1587 . 1 1 339 339 LYS CB C 13 27.67 0.050 . 1 . . . . . 339 LYS CB . 27469 1 1588 . 1 1 339 339 LYS N N 15 118.96 0.050 . 1 . . . . . 339 LYS N . 27469 1 1589 . 1 1 340 340 ALA H H 1 8.33 0.005 . 1 . . . . . 340 ALA HN . 27469 1 1590 . 1 1 340 340 ALA C C 13 176.89 0.050 . 1 . . . . . 340 ALA C . 27469 1 1591 . 1 1 340 340 ALA CA C 13 50.34 0.050 . 1 . . . . . 340 ALA CA . 27469 1 1592 . 1 1 340 340 ALA CB C 13 20.67 0.050 . 1 . . . . . 340 ALA CB . 27469 1 1593 . 1 1 340 340 ALA N N 15 121.39 0.050 . 1 . . . . . 340 ALA N . 27469 1 1594 . 1 1 341 341 GLU H H 1 8.13 0.005 . 1 . . . . . 341 GLU HN . 27469 1 1595 . 1 1 341 341 GLU C C 13 175.45 0.050 . 1 . . . . . 341 GLU C . 27469 1 1596 . 1 1 341 341 GLU CA C 13 56.07 0.050 . 1 . . . . . 341 GLU CA . 27469 1 1597 . 1 1 341 341 GLU CB C 13 29.50 0.050 . 1 . . . . . 341 GLU CB . 27469 1 1598 . 1 1 341 341 GLU N N 15 118.36 0.050 . 1 . . . . . 341 GLU N . 27469 1 1599 . 1 1 342 342 LEU H H 1 8.28 0.005 . 1 . . . . . 342 LEU HN . 27469 1 1600 . 1 1 342 342 LEU C C 13 178.44 0.050 . 1 . . . . . 342 LEU C . 27469 1 1601 . 1 1 342 342 LEU CA C 13 53.20 0.050 . 1 . . . . . 342 LEU CA . 27469 1 1602 . 1 1 342 342 LEU CB C 13 41.05 0.050 . 1 . . . . . 342 LEU CB . 27469 1 1603 . 1 1 342 342 LEU N N 15 120.34 0.050 . 1 . . . . . 342 LEU N . 27469 1 1604 . 1 1 343 343 ASN H H 1 10.05 0.005 . 1 . . . . . 343 ASN HN . 27469 1 1605 . 1 1 343 343 ASN C C 13 173.83 0.050 . 1 . . . . . 343 ASN C . 27469 1 1606 . 1 1 343 343 ASN CA C 13 51.39 0.050 . 1 . . . . . 343 ASN CA . 27469 1 1607 . 1 1 343 343 ASN CB C 13 36.84 0.050 . 1 . . . . . 343 ASN CB . 27469 1 1608 . 1 1 343 343 ASN N N 15 123.69 0.050 . 1 . . . . . 343 ASN N . 27469 1 1609 . 1 1 344 344 PRO C C 13 177.44 0.050 . 1 . . . . . 344 PRO C . 27469 1 1610 . 1 1 344 344 PRO CA C 13 61.60 0.050 . 1 . . . . . 344 PRO CA . 27469 1 1611 . 1 1 344 344 PRO CB C 13 31.13 0.050 . 1 . . . . . 344 PRO CB . 27469 1 1612 . 1 1 345 345 GLN H H 1 8.74 0.005 . 1 . . . . . 345 GLN HN . 27469 1 1613 . 1 1 345 345 GLN C C 13 176.93 0.050 . 1 . . . . . 345 GLN C . 27469 1 1614 . 1 1 345 345 GLN CA C 13 56.04 0.050 . 1 . . . . . 345 GLN CA . 27469 1 1615 . 1 1 345 345 GLN CB C 13 29.32 0.050 . 1 . . . . . 345 GLN CB . 27469 1 1616 . 1 1 345 345 GLN N N 15 120.87 0.050 . 1 . . . . . 345 GLN N . 27469 1 1617 . 1 1 346 346 ARG H H 1 7.96 0.005 . 1 . . . . . 346 ARG HN . 27469 1 1618 . 1 1 346 346 ARG C C 13 173.41 0.050 . 1 . . . . . 346 ARG C . 27469 1 1619 . 1 1 346 346 ARG CA C 13 53.26 0.050 . 1 . . . . . 346 ARG CA . 27469 1 1620 . 1 1 346 346 ARG CB C 13 28.86 0.050 . 1 . . . . . 346 ARG CB . 27469 1 1621 . 1 1 346 346 ARG N N 15 120.93 0.050 . 1 . . . . . 346 ARG N . 27469 1 1622 . 1 1 347 347 PRO C C 13 178.52 0.050 . 1 . . . . . 347 PRO C . 27469 1 1623 . 1 1 347 347 PRO CA C 13 62.76 0.050 . 1 . . . . . 347 PRO CA . 27469 1 1624 . 1 1 347 347 PRO CB C 13 30.73 0.050 . 1 . . . . . 347 PRO CB . 27469 1 1625 . 1 1 348 348 GLU H H 1 9.61 0.005 . 1 . . . . . 348 GLU HN . 27469 1 1626 . 1 1 348 348 GLU C C 13 177.28 0.050 . 1 . . . . . 348 GLU C . 27469 1 1627 . 1 1 348 348 GLU CA C 13 58.26 0.050 . 1 . . . . . 348 GLU CA . 27469 1 1628 . 1 1 348 348 GLU CB C 13 26.78 0.050 . 1 . . . . . 348 GLU CB . 27469 1 1629 . 1 1 348 348 GLU N N 15 120.12 0.050 . 1 . . . . . 348 GLU N . 27469 1 1630 . 1 1 349 349 SER H H 1 7.84 0.005 . 1 . . . . . 349 SER HN . 27469 1 1631 . 1 1 349 349 SER C C 13 177.79 0.050 . 1 . . . . . 349 SER C . 27469 1 1632 . 1 1 349 349 SER CA C 13 55.62 0.050 . 1 . . . . . 349 SER CA . 27469 1 1633 . 1 1 349 349 SER CB C 13 61.48 0.050 . 1 . . . . . 349 SER CB . 27469 1 1634 . 1 1 349 349 SER N N 15 112.48 0.050 . 1 . . . . . 349 SER N . 27469 1 1635 . 1 1 350 350 PHE H H 1 7.94 0.005 . 1 . . . . . 350 PHE HN . 27469 1 1636 . 1 1 350 350 PHE C C 13 177.75 0.050 . 1 . . . . . 350 PHE C . 27469 1 1637 . 1 1 350 350 PHE CA C 13 58.26 0.050 . 1 . . . . . 350 PHE CA . 27469 1 1638 . 1 1 350 350 PHE CB C 13 35.81 0.050 . 1 . . . . . 350 PHE CB . 27469 1 1639 . 1 1 350 350 PHE N N 15 124.23 0.050 . 1 . . . . . 350 PHE N . 27469 1 1640 . 1 1 351 351 TYR H H 1 9.14 0.005 . 1 . . . . . 351 TYR HN . 27469 1 1641 . 1 1 351 351 TYR C C 13 176.03 0.050 . 1 . . . . . 351 TYR C . 27469 1 1642 . 1 1 351 351 TYR CA C 13 56.62 0.050 . 1 . . . . . 351 TYR CA . 27469 1 1643 . 1 1 351 351 TYR CB C 13 39.16 0.050 . 1 . . . . . 351 TYR CB . 27469 1 1644 . 1 1 351 351 TYR N N 15 119.40 0.050 . 1 . . . . . 351 TYR N . 27469 1 1645 . 1 1 352 352 GLY H H 1 8.17 0.005 . 1 . . . . . 352 GLY HN . 27469 1 1646 . 1 1 352 352 GLY C C 13 171.76 0.050 . 1 . . . . . 352 GLY C . 27469 1 1647 . 1 1 352 352 GLY CA C 13 44.32 0.050 . 1 . . . . . 352 GLY CA . 27469 1 1648 . 1 1 352 352 GLY N N 15 110.14 0.050 . 1 . . . . . 352 GLY N . 27469 1 1649 . 1 1 353 353 GLY H H 1 8.20 0.005 . 1 . . . . . 353 GLY HN . 27469 1 1650 . 1 1 353 353 GLY C C 13 175.03 0.050 . 1 . . . . . 353 GLY C . 27469 1 1651 . 1 1 353 353 GLY CA C 13 44.26 0.050 . 1 . . . . . 353 GLY CA . 27469 1 1652 . 1 1 353 353 GLY N N 15 103.24 0.050 . 1 . . . . . 353 GLY N . 27469 1 1653 . 1 1 354 354 GLY H H 1 8.71 0.005 . 1 . . . . . 354 GLY HN . 27469 1 1654 . 1 1 354 354 GLY C C 13 174.68 0.050 . 1 . . . . . 354 GLY C . 27469 1 1655 . 1 1 354 354 GLY CA C 13 43.89 0.050 . 1 . . . . . 354 GLY CA . 27469 1 1656 . 1 1 354 354 GLY N N 15 111.84 0.050 . 1 . . . . . 354 GLY N . 27469 1 1657 . 1 1 355 355 ALA H H 1 8.90 0.005 . 1 . . . . . 355 ALA HN . 27469 1 1658 . 1 1 355 355 ALA C C 13 178.60 0.050 . 1 . . . . . 355 ALA C . 27469 1 1659 . 1 1 355 355 ALA CA C 13 55.35 0.050 . 1 . . . . . 355 ALA CA . 27469 1 1660 . 1 1 355 355 ALA CB C 13 18.29 0.050 . 1 . . . . . 355 ALA CB . 27469 1 1661 . 1 1 355 355 ALA N N 15 129.39 0.050 . 1 . . . . . 355 ALA N . 27469 1 1662 . 1 1 356 356 GLU H H 1 8.41 0.005 . 1 . . . . . 356 GLU HN . 27469 1 1663 . 1 1 356 356 GLU C C 13 178.03 0.050 . 1 . . . . . 356 GLU C . 27469 1 1664 . 1 1 356 356 GLU CA C 13 57.32 0.050 . 1 . . . . . 356 GLU CA . 27469 1 1665 . 1 1 356 356 GLU CB C 13 27.55 0.050 . 1 . . . . . 356 GLU CB . 27469 1 1666 . 1 1 356 356 GLU N N 15 119.13 0.050 . 1 . . . . . 356 GLU N . 27469 1 1667 . 1 1 357 357 GLY H H 1 9.62 0.005 . 1 . . . . . 357 GLY HN . 27469 1 1668 . 1 1 357 357 GLY C C 13 174.34 0.050 . 1 . . . . . 357 GLY C . 27469 1 1669 . 1 1 357 357 GLY CA C 13 44.61 0.050 . 1 . . . . . 357 GLY CA . 27469 1 1670 . 1 1 357 357 GLY N N 15 116.85 0.050 . 1 . . . . . 357 GLY N . 27469 1 1671 . 1 1 358 358 TYR H H 1 8.44 0.005 . 1 . . . . . 358 TYR HN . 27469 1 1672 . 1 1 358 358 TYR C C 13 176.44 0.050 . 1 . . . . . 358 TYR C . 27469 1 1673 . 1 1 358 358 TYR CA C 13 57.89 0.050 . 1 . . . . . 358 TYR CA . 27469 1 1674 . 1 1 358 358 TYR CB C 13 41.43 0.050 . 1 . . . . . 358 TYR CB . 27469 1 1675 . 1 1 358 358 TYR N N 15 121.69 0.050 . 1 . . . . . 358 TYR N . 27469 1 1676 . 1 1 359 359 THR H H 1 8.72 0.005 . 1 . . . . . 359 THR HN . 27469 1 1677 . 1 1 359 359 THR C C 13 175.71 0.050 . 1 . . . . . 359 THR C . 27469 1 1678 . 1 1 359 359 THR CA C 13 60.50 0.050 . 1 . . . . . 359 THR CA . 27469 1 1679 . 1 1 359 359 THR CB C 13 68.15 0.050 . 1 . . . . . 359 THR CB . 27469 1 1680 . 1 1 359 359 THR N N 15 106.24 0.050 . 1 . . . . . 359 THR N . 27469 1 1681 . 1 1 360 360 ASP H H 1 8.10 0.005 . 1 . . . . . 360 ASP HN . 27469 1 1682 . 1 1 360 360 ASP C C 13 177.36 0.050 . 1 . . . . . 360 ASP C . 27469 1 1683 . 1 1 360 360 ASP CA C 13 53.09 0.050 . 1 . . . . . 360 ASP CA . 27469 1 1684 . 1 1 360 360 ASP CB C 13 39.80 0.050 . 1 . . . . . 360 ASP CB . 27469 1 1685 . 1 1 360 360 ASP N N 15 120.57 0.050 . 1 . . . . . 360 ASP N . 27469 1 1686 . 1 1 361 361 TYR H H 1 7.47 0.005 . 1 . . . . . 361 TYR HN . 27469 1 1687 . 1 1 361 361 TYR C C 13 175.36 0.050 . 1 . . . . . 361 TYR C . 27469 1 1688 . 1 1 361 361 TYR CA C 13 56.07 0.050 . 1 . . . . . 361 TYR CA . 27469 1 1689 . 1 1 361 361 TYR CB C 13 37.19 0.050 . 1 . . . . . 361 TYR CB . 27469 1 1690 . 1 1 361 361 TYR N N 15 121.16 0.050 . 1 . . . . . 361 TYR N . 27469 1 1691 . 1 1 362 362 PRO C C 13 177.55 0.050 . 1 . . . . . 362 PRO C . 27469 1 1692 . 1 1 362 362 PRO CA C 13 62.47 0.050 . 1 . . . . . 362 PRO CA . 27469 1 1693 . 1 1 362 362 PRO CB C 13 32.09 0.050 . 1 . . . . . 362 PRO CB . 27469 1 1694 . 1 1 363 363 SER H H 1 8.09 0.005 . 1 . . . . . 363 SER HN . 27469 1 1695 . 1 1 363 363 SER C C 13 174.65 0.050 . 1 . . . . . 363 SER C . 27469 1 1696 . 1 1 363 363 SER CA C 13 57.32 0.050 . 1 . . . . . 363 SER CA . 27469 1 1697 . 1 1 363 363 SER CB C 13 64.76 0.050 . 1 . . . . . 363 SER CB . 27469 1 1698 . 1 1 363 363 SER N N 15 115.26 0.050 . 1 . . . . . 363 SER N . 27469 1 1699 . 1 1 364 364 LEU H H 1 9.90 0.005 . 1 . . . . . 364 LEU HN . 27469 1 1700 . 1 1 364 364 LEU C C 13 167.53 0.050 . 1 . . . . . 364 LEU C . 27469 1 1701 . 1 1 364 364 LEU CA C 13 57.60 0.050 . 1 . . . . . 364 LEU CA . 27469 1 1702 . 1 1 364 364 LEU CB C 13 41.60 0.050 . 1 . . . . . 364 LEU CB . 27469 1 1703 . 1 1 364 364 LEU N N 15 130.43 0.050 . 1 . . . . . 364 LEU N . 27469 1 stop_ save_