data_5700 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5700 _Entry.Title ; Backbone 1H, 13C and 15N resonance assignments for the 25.8 kDa DNA binding domain of the human p63 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-02-18 _Entry.Accession_date 2003-02-18 _Entry.Last_release_date 2003-03-21 _Entry.Original_release_date 2003-03-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Julien Furrer . . . 5700 2 Andreas Enthart . . . 5700 3 Alexander Dehner . . . 5700 4 Christian Klein . . . 5700 5 Silke Hansen . . . 5700 6 Manfred Schwaiger . . . 5700 7 Gerd Gemmecker . . . 5700 8 Horst Kessler . . . 5700 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5700 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 608 5700 '15N chemical shifts' 200 5700 '1H chemical shifts' 370 5700 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 . . 2003-03-21 2003-02-18 original author . 5700 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5700 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12815266 _Citation.Full_citation . _Citation.Title 'Backbone 1H, 13C and 15N resonance assignments for the 25.8 kDa DNA binding domain of the human p63 protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 26 _Citation.Journal_issue 4 _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 377 _Citation.Page_last 378 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Julien Furrer . . . 5700 1 2 Andreas Enthart . . . 5700 1 3 Angelika Kuhlewein . . . 5700 1 4 Alexander Dehner . . . 5700 1 5 Christian Klein . . . 5700 1 6 Silke Hansen . . . 5700 1 7 Manfred Schwaiger . . . 5700 1 8 Gerd Gemmecker . . . 5700 1 9 Horst Kessler . . . 5700 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DNA 5700 1 'p53 protein homologue' 5700 1 'resonance assignment' 5700 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_p63 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_p63 _Assembly.Entry_ID 5700 _Assembly.ID 1 _Assembly.Name 'p63 DNA-binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5700 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'p63 DBD' 1 $p63_monomer . . . native . . . . . 5700 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID p63 abbreviation 5700 1 'p63 DNA-binding domain' system 5700 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'tumor suppressor' 5700 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p63_monomer _Entity.Sf_category entity _Entity.Sf_framecode p63_monomer _Entity.Entry_ID 5700 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p63 _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 ; GSSTFDALSPSPAIPSNTDY PGPHSFDVSFQQSSTAKSAT WTYSTELKKLYCQIAKTCPI QIKVMTPPPQGAVIRAMPVY KKAEHVTEVVKRCPNHELSR EFNEGQIAPPSHLIRVEGNS HAQYVEDPITGRQSVLVPYE PPQVGTEFTTVLYNFMCNSS CVGGMNRRPILIIVTLETRD GQVLGRRCFEARICACPGRD RKADEDSIRKQQVSDSTKNG DAFRQNTHGIQMT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 233 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25832 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1 no PDB 2RMN . "The Solution Structure Of The P63 Dna-Binding Domain" . . . . . 100.00 233 100.00 100.00 7.02e-173 . . . . 5700 1 2 no PDB 3QYM . "Structure Of P63 Dna Binding Domain In Complex With A 10 Base Pair AT Rich Response Element Half Site" . . . . . 85.41 203 99.50 99.50 7.57e-145 . . . . 5700 1 3 no PDB 3QYN . "Structure Of P63 Dna Binding Domain In Complex With A 22 Base Pair AT Rich Response Element Containing 2 Base Pair Spacer Betwe" . . . . . 85.41 203 99.50 99.50 7.57e-145 . . . . 5700 1 4 no PDB 3US0 . 'Structure Of P63 Dna Binding Domain In Complex With A 22 Base Pair AT Rich Response Element Containing A Two Base Pair "at" Spa' . . . . . 85.41 203 99.50 99.50 7.57e-145 . . . . 5700 1 5 no PDB 3US1 . 'Structure Of P63 Dna Binding Domain In Complex With A 22 Base Pair Response Element Containing A Two Base Pair "gc" Spacer Betw' . . . . . 85.41 203 99.50 99.50 7.57e-145 . . . . 5700 1 6 no PDB 3US2 . "Structure Of P63 Dna Binding Domain In Complex With A 19 Base Pair AT Rich Response Element Containing Two Half Sites With A Si" . . . . . 85.41 203 99.50 99.50 7.57e-145 . . . . 5700 1 7 no DBJ BAA32432 . "p73H [Mus musculus]" . . . . . 101.29 586 97.46 97.46 1.84e-164 . . . . 5700 1 8 no DBJ BAA32433 . "p73H [Homo sapiens]" . . . . . 101.29 586 97.03 97.03 3.51e-163 . . . . 5700 1 9 no DBJ BAA32592 . "p51A [Homo sapiens]" . . . . . 101.29 448 97.88 97.88 1.32e-166 . . . . 5700 1 10 no DBJ BAA32593 . "p51B [Homo sapiens]" . . . . . 101.29 641 97.88 97.88 2.72e-164 . . . . 5700 1 11 no DBJ BAB20631 . "DN p63 alpha [Gallus gallus]" . . . . . 99.57 582 99.14 99.14 4.68e-166 . . . . 5700 1 12 no EMBL CAA76562 . "KET protein [Homo sapiens]" . . . . . 101.29 680 97.88 97.88 2.12e-163 . . . . 5700 1 13 no EMBL CAB88216 . "TA2 KET alpha [Rattus norvegicus]" . . . . . 101.29 680 97.46 97.46 1.02e-162 . . . . 5700 1 14 no EMBL CAC37098 . "TA1 KET alpha protein [Rattus norvegicus]" . . . . . 101.29 663 97.46 97.46 6.08e-163 . . . . 5700 1 15 no EMBL CAC37099 . "DN KET alpha protein [Rattus norvegicus]" . . . . . 101.29 586 97.46 97.46 1.90e-164 . . . . 5700 1 16 no EMBL CAC37100 . "TA1 KET gamma protein [Rattus norvegicus]" . . . . . 101.29 470 97.46 97.46 1.15e-165 . . . . 5700 1 17 no GB AAC24830 . "p53 homolog [Homo sapiens]" . . . . . 101.29 356 97.46 97.46 1.07e-167 . . . . 5700 1 18 no GB AAC43038 . "CUSP [Homo sapiens]" . . . . . 101.29 586 97.88 97.88 2.26e-165 . . . . 5700 1 19 no GB AAC62633 . "TA p63 gamma [Homo sapiens]" . . . . . 101.29 448 97.88 97.88 1.32e-166 . . . . 5700 1 20 no GB AAC62634 . "DN p63 gamma [Homo sapiens]" . . . . . 101.29 393 97.88 97.88 4.34e-168 . . . . 5700 1 21 no GB AAC62635 . "TA p63 alpha [Homo sapiens]" . . . . . 101.29 641 97.88 97.88 2.39e-164 . . . . 5700 1 22 no REF NP_001079107 . "tumor protein p63 [Xenopus laevis]" . . . . . 99.57 365 96.98 99.57 1.23e-167 . . . . 5700 1 23 no REF NP_001108450 . "tumor protein 63 isoform 2 [Homo sapiens]" . . . . . 101.29 555 97.88 97.88 4.61e-165 . . . . 5700 1 24 no REF NP_001108451 . "tumor protein 63 isoform 3 [Homo sapiens]" . . . . . 101.29 487 97.88 97.88 6.40e-166 . . . . 5700 1 25 no REF NP_001108452 . "tumor protein 63 isoform 4 [Homo sapiens]" . . . . . 101.29 586 97.88 97.88 2.26e-165 . . . . 5700 1 26 no REF NP_001108453 . "tumor protein 63 isoform 5 [Homo sapiens]" . . . . . 101.29 461 97.88 97.88 2.10e-167 . . . . 5700 1 27 no SP O88898 . "RecName: Full=Tumor protein 63; Short=p63; AltName: Full=Transformation-related protein 63; Short=TP63; AltName: Full=Tumor pro" . . . . . 101.29 680 97.46 97.46 9.24e-163 . . . . 5700 1 28 no SP Q9H3D4 . "RecName: Full=Tumor protein 63; Short=p63; AltName: Full=Chronic ulcerative stomatitis protein; Short=CUSP; AltName: Full=Kerat" . . . . . 101.29 680 97.88 97.88 2.38e-163 . . . . 5700 1 29 no SP Q9JJP6 . "RecName: Full=Tumor protein 63; Short=p63; AltName: Full=Keratinocyte transcription factor KET; AltName: Full=Transformation-re" . . . . . 101.29 680 97.46 97.46 1.02e-162 . . . . 5700 1 30 no TPG DAA33389 . "TPA: tumor protein p63-like [Bos taurus]" . . . . . 101.29 680 97.88 97.88 2.00e-163 . . . . 5700 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID p63 abbreviation 5700 1 p63 common 5700 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 1 113 GLY . 5700 1 2 114 SER . 5700 1 3 115 SER . 5700 1 4 116 THR . 5700 1 5 117 PHE . 5700 1 6 118 ASP . 5700 1 7 119 ALA . 5700 1 8 120 LEU . 5700 1 9 121 SER . 5700 1 10 122 PRO . 5700 1 11 123 SER . 5700 1 12 124 PRO . 5700 1 13 125 ALA . 5700 1 14 126 ILE . 5700 1 15 127 PRO . 5700 1 16 128 SER . 5700 1 17 129 ASN . 5700 1 18 130 THR . 5700 1 19 131 ASP . 5700 1 20 132 TYR . 5700 1 21 133 PRO . 5700 1 22 134 GLY . 5700 1 23 135 PRO . 5700 1 24 136 HIS . 5700 1 25 137 SER . 5700 1 26 138 PHE . 5700 1 27 139 ASP . 5700 1 28 140 VAL . 5700 1 29 141 SER . 5700 1 30 142 PHE . 5700 1 31 143 GLN . 5700 1 32 144 GLN . 5700 1 33 145 SER . 5700 1 34 146 SER . 5700 1 35 147 THR . 5700 1 36 148 ALA . 5700 1 37 149 LYS . 5700 1 38 150 SER . 5700 1 39 151 ALA . 5700 1 40 152 THR . 5700 1 41 153 TRP . 5700 1 42 154 THR . 5700 1 43 155 TYR . 5700 1 44 156 SER . 5700 1 45 157 THR . 5700 1 46 158 GLU . 5700 1 47 159 LEU . 5700 1 48 160 LYS . 5700 1 49 161 LYS . 5700 1 50 162 LEU . 5700 1 51 163 TYR . 5700 1 52 164 CYS . 5700 1 53 165 GLN . 5700 1 54 166 ILE . 5700 1 55 167 ALA . 5700 1 56 168 LYS . 5700 1 57 169 THR . 5700 1 58 170 CYS . 5700 1 59 171 PRO . 5700 1 60 172 ILE . 5700 1 61 173 GLN . 5700 1 62 174 ILE . 5700 1 63 175 LYS . 5700 1 64 176 VAL . 5700 1 65 177 MET . 5700 1 66 178 THR . 5700 1 67 179 PRO . 5700 1 68 180 PRO . 5700 1 69 181 PRO . 5700 1 70 182 GLN . 5700 1 71 183 GLY . 5700 1 72 184 ALA . 5700 1 73 185 VAL . 5700 1 74 186 ILE . 5700 1 75 187 ARG . 5700 1 76 188 ALA . 5700 1 77 189 MET . 5700 1 78 190 PRO . 5700 1 79 191 VAL . 5700 1 80 192 TYR . 5700 1 81 193 LYS . 5700 1 82 194 LYS . 5700 1 83 195 ALA . 5700 1 84 196 GLU . 5700 1 85 197 HIS . 5700 1 86 198 VAL . 5700 1 87 199 THR . 5700 1 88 200 GLU . 5700 1 89 201 VAL . 5700 1 90 202 VAL . 5700 1 91 203 LYS . 5700 1 92 204 ARG . 5700 1 93 205 CYS . 5700 1 94 206 PRO . 5700 1 95 207 ASN . 5700 1 96 208 HIS . 5700 1 97 209 GLU . 5700 1 98 210 LEU . 5700 1 99 211 SER . 5700 1 100 212 ARG . 5700 1 101 213 GLU . 5700 1 102 214 PHE . 5700 1 103 215 ASN . 5700 1 104 216 GLU . 5700 1 105 217 GLY . 5700 1 106 218 GLN . 5700 1 107 219 ILE . 5700 1 108 220 ALA . 5700 1 109 221 PRO . 5700 1 110 222 PRO . 5700 1 111 223 SER . 5700 1 112 224 HIS . 5700 1 113 225 LEU . 5700 1 114 226 ILE . 5700 1 115 227 ARG . 5700 1 116 228 VAL . 5700 1 117 229 GLU . 5700 1 118 230 GLY . 5700 1 119 231 ASN . 5700 1 120 232 SER . 5700 1 121 233 HIS . 5700 1 122 234 ALA . 5700 1 123 235 GLN . 5700 1 124 236 TYR . 5700 1 125 237 VAL . 5700 1 126 238 GLU . 5700 1 127 239 ASP . 5700 1 128 240 PRO . 5700 1 129 241 ILE . 5700 1 130 242 THR . 5700 1 131 243 GLY . 5700 1 132 244 ARG . 5700 1 133 245 GLN . 5700 1 134 246 SER . 5700 1 135 247 VAL . 5700 1 136 248 LEU . 5700 1 137 249 VAL . 5700 1 138 250 PRO . 5700 1 139 251 TYR . 5700 1 140 252 GLU . 5700 1 141 253 PRO . 5700 1 142 254 PRO . 5700 1 143 255 GLN . 5700 1 144 256 VAL . 5700 1 145 257 GLY . 5700 1 146 258 THR . 5700 1 147 259 GLU . 5700 1 148 260 PHE . 5700 1 149 261 THR . 5700 1 150 262 THR . 5700 1 151 263 VAL . 5700 1 152 264 LEU . 5700 1 153 265 TYR . 5700 1 154 266 ASN . 5700 1 155 267 PHE . 5700 1 156 268 MET . 5700 1 157 269 CYS . 5700 1 158 270 ASN . 5700 1 159 271 SER . 5700 1 160 272 SER . 5700 1 161 273 CYS . 5700 1 162 274 VAL . 5700 1 163 275 GLY . 5700 1 164 276 GLY . 5700 1 165 277 MET . 5700 1 166 278 ASN . 5700 1 167 279 ARG . 5700 1 168 280 ARG . 5700 1 169 281 PRO . 5700 1 170 282 ILE . 5700 1 171 283 LEU . 5700 1 172 284 ILE . 5700 1 173 285 ILE . 5700 1 174 286 VAL . 5700 1 175 287 THR . 5700 1 176 288 LEU . 5700 1 177 289 GLU . 5700 1 178 290 THR . 5700 1 179 291 ARG . 5700 1 180 292 ASP . 5700 1 181 293 GLY . 5700 1 182 294 GLN . 5700 1 183 295 VAL . 5700 1 184 296 LEU . 5700 1 185 297 GLY . 5700 1 186 298 ARG . 5700 1 187 299 ARG . 5700 1 188 300 CYS . 5700 1 189 301 PHE . 5700 1 190 302 GLU . 5700 1 191 303 ALA . 5700 1 192 304 ARG . 5700 1 193 305 ILE . 5700 1 194 306 CYS . 5700 1 195 307 ALA . 5700 1 196 308 CYS . 5700 1 197 309 PRO . 5700 1 198 310 GLY . 5700 1 199 311 ARG . 5700 1 200 312 ASP . 5700 1 201 313 ARG . 5700 1 202 314 LYS . 5700 1 203 315 ALA . 5700 1 204 316 ASP . 5700 1 205 317 GLU . 5700 1 206 318 ASP . 5700 1 207 319 SER . 5700 1 208 320 ILE . 5700 1 209 321 ARG . 5700 1 210 322 LYS . 5700 1 211 323 GLN . 5700 1 212 324 GLN . 5700 1 213 325 VAL . 5700 1 214 326 SER . 5700 1 215 327 ASP . 5700 1 216 328 SER . 5700 1 217 329 THR . 5700 1 218 330 LYS . 5700 1 219 331 ASN . 5700 1 220 332 GLY . 5700 1 221 333 ASP . 5700 1 222 334 ALA . 5700 1 223 335 PHE . 5700 1 224 336 ARG . 5700 1 225 337 GLN . 5700 1 226 338 ASN . 5700 1 227 339 THR . 5700 1 228 340 HIS . 5700 1 229 341 GLY . 5700 1 230 342 ILE . 5700 1 231 343 GLN . 5700 1 232 344 MET . 5700 1 233 345 THR . 5700 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 . GLY 1 1 5700 1 . SER 2 2 5700 1 . SER 3 3 5700 1 . THR 4 4 5700 1 . PHE 5 5 5700 1 . ASP 6 6 5700 1 . ALA 7 7 5700 1 . LEU 8 8 5700 1 . SER 9 9 5700 1 . PRO 10 10 5700 1 . SER 11 11 5700 1 . PRO 12 12 5700 1 . ALA 13 13 5700 1 . ILE 14 14 5700 1 . PRO 15 15 5700 1 . SER 16 16 5700 1 . ASN 17 17 5700 1 . THR 18 18 5700 1 . ASP 19 19 5700 1 . TYR 20 20 5700 1 . PRO 21 21 5700 1 . GLY 22 22 5700 1 . PRO 23 23 5700 1 . HIS 24 24 5700 1 . SER 25 25 5700 1 . PHE 26 26 5700 1 . ASP 27 27 5700 1 . VAL 28 28 5700 1 . SER 29 29 5700 1 . PHE 30 30 5700 1 . GLN 31 31 5700 1 . GLN 32 32 5700 1 . SER 33 33 5700 1 . SER 34 34 5700 1 . THR 35 35 5700 1 . ALA 36 36 5700 1 . LYS 37 37 5700 1 . SER 38 38 5700 1 . ALA 39 39 5700 1 . THR 40 40 5700 1 . TRP 41 41 5700 1 . THR 42 42 5700 1 . TYR 43 43 5700 1 . SER 44 44 5700 1 . THR 45 45 5700 1 . GLU 46 46 5700 1 . LEU 47 47 5700 1 . LYS 48 48 5700 1 . LYS 49 49 5700 1 . LEU 50 50 5700 1 . TYR 51 51 5700 1 . CYS 52 52 5700 1 . GLN 53 53 5700 1 . ILE 54 54 5700 1 . ALA 55 55 5700 1 . LYS 56 56 5700 1 . THR 57 57 5700 1 . CYS 58 58 5700 1 . PRO 59 59 5700 1 . ILE 60 60 5700 1 . GLN 61 61 5700 1 . ILE 62 62 5700 1 . LYS 63 63 5700 1 . VAL 64 64 5700 1 . MET 65 65 5700 1 . THR 66 66 5700 1 . PRO 67 67 5700 1 . PRO 68 68 5700 1 . PRO 69 69 5700 1 . GLN 70 70 5700 1 . GLY 71 71 5700 1 . ALA 72 72 5700 1 . VAL 73 73 5700 1 . ILE 74 74 5700 1 . ARG 75 75 5700 1 . ALA 76 76 5700 1 . MET 77 77 5700 1 . PRO 78 78 5700 1 . VAL 79 79 5700 1 . TYR 80 80 5700 1 . LYS 81 81 5700 1 . LYS 82 82 5700 1 . ALA 83 83 5700 1 . GLU 84 84 5700 1 . HIS 85 85 5700 1 . VAL 86 86 5700 1 . THR 87 87 5700 1 . GLU 88 88 5700 1 . VAL 89 89 5700 1 . VAL 90 90 5700 1 . LYS 91 91 5700 1 . ARG 92 92 5700 1 . CYS 93 93 5700 1 . PRO 94 94 5700 1 . ASN 95 95 5700 1 . HIS 96 96 5700 1 . GLU 97 97 5700 1 . LEU 98 98 5700 1 . SER 99 99 5700 1 . ARG 100 100 5700 1 . GLU 101 101 5700 1 . PHE 102 102 5700 1 . ASN 103 103 5700 1 . GLU 104 104 5700 1 . GLY 105 105 5700 1 . GLN 106 106 5700 1 . ILE 107 107 5700 1 . ALA 108 108 5700 1 . PRO 109 109 5700 1 . PRO 110 110 5700 1 . SER 111 111 5700 1 . HIS 112 112 5700 1 . LEU 113 113 5700 1 . ILE 114 114 5700 1 . ARG 115 115 5700 1 . VAL 116 116 5700 1 . GLU 117 117 5700 1 . GLY 118 118 5700 1 . ASN 119 119 5700 1 . SER 120 120 5700 1 . HIS 121 121 5700 1 . ALA 122 122 5700 1 . GLN 123 123 5700 1 . TYR 124 124 5700 1 . VAL 125 125 5700 1 . GLU 126 126 5700 1 . ASP 127 127 5700 1 . PRO 128 128 5700 1 . ILE 129 129 5700 1 . THR 130 130 5700 1 . GLY 131 131 5700 1 . ARG 132 132 5700 1 . GLN 133 133 5700 1 . SER 134 134 5700 1 . VAL 135 135 5700 1 . LEU 136 136 5700 1 . VAL 137 137 5700 1 . PRO 138 138 5700 1 . TYR 139 139 5700 1 . GLU 140 140 5700 1 . PRO 141 141 5700 1 . PRO 142 142 5700 1 . GLN 143 143 5700 1 . VAL 144 144 5700 1 . GLY 145 145 5700 1 . THR 146 146 5700 1 . GLU 147 147 5700 1 . PHE 148 148 5700 1 . THR 149 149 5700 1 . THR 150 150 5700 1 . VAL 151 151 5700 1 . LEU 152 152 5700 1 . TYR 153 153 5700 1 . ASN 154 154 5700 1 . PHE 155 155 5700 1 . MET 156 156 5700 1 . CYS 157 157 5700 1 . ASN 158 158 5700 1 . SER 159 159 5700 1 . SER 160 160 5700 1 . CYS 161 161 5700 1 . VAL 162 162 5700 1 . GLY 163 163 5700 1 . GLY 164 164 5700 1 . MET 165 165 5700 1 . ASN 166 166 5700 1 . ARG 167 167 5700 1 . ARG 168 168 5700 1 . PRO 169 169 5700 1 . ILE 170 170 5700 1 . LEU 171 171 5700 1 . ILE 172 172 5700 1 . ILE 173 173 5700 1 . VAL 174 174 5700 1 . THR 175 175 5700 1 . LEU 176 176 5700 1 . GLU 177 177 5700 1 . THR 178 178 5700 1 . ARG 179 179 5700 1 . ASP 180 180 5700 1 . GLY 181 181 5700 1 . GLN 182 182 5700 1 . VAL 183 183 5700 1 . LEU 184 184 5700 1 . GLY 185 185 5700 1 . ARG 186 186 5700 1 . ARG 187 187 5700 1 . CYS 188 188 5700 1 . PHE 189 189 5700 1 . GLU 190 190 5700 1 . ALA 191 191 5700 1 . ARG 192 192 5700 1 . ILE 193 193 5700 1 . CYS 194 194 5700 1 . ALA 195 195 5700 1 . CYS 196 196 5700 1 . PRO 197 197 5700 1 . GLY 198 198 5700 1 . ARG 199 199 5700 1 . ASP 200 200 5700 1 . ARG 201 201 5700 1 . LYS 202 202 5700 1 . ALA 203 203 5700 1 . ASP 204 204 5700 1 . GLU 205 205 5700 1 . ASP 206 206 5700 1 . SER 207 207 5700 1 . ILE 208 208 5700 1 . ARG 209 209 5700 1 . LYS 210 210 5700 1 . GLN 211 211 5700 1 . GLN 212 212 5700 1 . VAL 213 213 5700 1 . SER 214 214 5700 1 . ASP 215 215 5700 1 . SER 216 216 5700 1 . THR 217 217 5700 1 . LYS 218 218 5700 1 . ASN 219 219 5700 1 . GLY 220 220 5700 1 . ASP 221 221 5700 1 . ALA 222 222 5700 1 . PHE 223 223 5700 1 . ARG 224 224 5700 1 . GLN 225 225 5700 1 . ASN 226 226 5700 1 . THR 227 227 5700 1 . HIS 228 228 5700 1 . GLY 229 229 5700 1 . ILE 230 230 5700 1 . GLN 231 231 5700 1 . MET 232 232 5700 1 . THR 233 233 5700 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5700 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $p63_monomer . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . placenta . . . . . . . . . . . . . . . . 5700 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 5700 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $p63_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli B BL21 . . . . . . . . . . . pQE30 . . . . . . . . . 5700 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5700 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p63 '[U-75% 2H; U-98% 13C; U-98% 15N]' . . 1 $p63_monomer . . 0.7 . . mM . . . . 5700 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5700 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p63 '[U-98% 15N]' . . 1 $p63_monomer . . 0.7 . . mM . . . . 5700 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex_cond_1 _Sample_condition_list.Entry_ID 5700 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 n/a 5700 1 temperature 303 1 K 5700 1 stop_ save_ ############################ # Computer software used # ############################ save_Xwinnmr _Software.Sf_category software _Software.Sf_framecode Xwinnmr _Software.Entry_ID 5700 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . save_ save_Aurelia _Software.Sf_category software _Software.Sf_framecode Aurelia _Software.Entry_ID 5700 _Software.ID 2 _Software.Name AURELIA _Software.Version 2.8.4 _Software.Details . save_ save_PASTA _Software.Sf_category software _Software.Sf_framecode PASTA _Software.Entry_ID 5700 _Software.ID 3 _Software.Name PASTA _Software.Version . _Software.Details 'In-house developed software for automating the peak assignment process.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automatic assignment program' 5700 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5700 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5700 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5700 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5700 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 5700 1 2 NMR_spectrometer_2 Bruker Avance . 750 . . . 5700 1 3 NMR_spectrometer_3 Bruker Avance . 900 . . . 5700 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 5700 _Experiment_list.ID 1 _Experiment_list.Details ; The 3D TROSY experiments were recorded with 2H decoupling. QXI-probes triple axis pulse field gradients lock switch units ; 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 '1H,15N HSQC' . . . . . . . . . . . . . . . . 1 $Ex_cond_1 . . . . . . . . . . . . . . . . . . . . . 5700 1 2 HNHA . . . . . . . . . . . . . . . . 1 $Ex_cond_1 . . . . . . . . . . . . . . . . . . . . . 5700 1 3 '1H,15N HSQC-TOCSY' . . . . . . . . . . . . . . . . 1 $Ex_cond_1 . . . . . . . . . . . . . . . . . . . . . 5700 1 4 '1H,15N HSQC-NOESY' . . . . . . . . . . . . . . . . 1 $Ex_cond_1 . . . . . . . . . . . . . . . . . . . . . 5700 1 5 '1H,15N HSQC-NOESY-1H,15N HSQC' . . . . . . . . . . . . . . . . 1 $Ex_cond_1 . . . . . . . . . . . . . . . . . . . . . 5700 1 6 HNCO . . . . . . . . . . . . . . . . 1 $Ex_cond_1 . . . . . . . . . . . . . . . . . . . . . 5700 1 7 tr-HNCA . . . . . . . . . . . . . . . . 1 $Ex_cond_1 . . . . . . . . . . . . . . . . . . . . . 5700 1 8 tr-HN(CA)CO . . . . . . . . . . . . . . . . 1 $Ex_cond_1 . . . . . . . . . . . . . . . . . . . . . 5700 1 9 tr-HN(CO)CACB . . . . . . . . . . . . . . . . 1 $Ex_cond_1 . . . . . . . . . . . . . . . . . . . . . 5700 1 10 tr-HNCACB . . . . . . . . . . . . . . . . 1 $Ex_cond_1 . . . . . . . . . . . . . . . . . . . . . 5700 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5700 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5700 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5700 1 H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . . . . . . . 5700 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5700 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5700 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Due to very poor signal to noise ratio, CB and HA only partially assigned.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5700 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER C C 13 177.4 0.1 . 1 . . . . . . . . 5700 1 2 . 1 1 3 3 SER CA C 13 58.0 0.1 . 1 . . . . . . . . 5700 1 3 . 1 1 4 4 THR N N 15 121.7 0.1 . 1 . . . . . . . . 5700 1 4 . 1 1 4 4 THR H H 1 7.94 0.03 . 1 . . . . . . . . 5700 1 5 . 1 1 4 4 THR C C 13 174.3 0.1 . 1 . . . . . . . . 5700 1 6 . 1 1 4 4 THR CA C 13 61.6 0.1 . 1 . . . . . . . . 5700 1 7 . 1 1 4 4 THR CB C 13 69.2 0.1 . 1 . . . . . . . . 5700 1 8 . 1 1 4 4 THR HA H 1 4.37 0.03 . 1 . . . . . . . . 5700 1 9 . 1 1 5 5 PHE N N 15 121.7 0.1 . 1 . . . . . . . . 5700 1 10 . 1 1 5 5 PHE H H 1 8.20 0.03 . 1 . . . . . . . . 5700 1 11 . 1 1 5 5 PHE C C 13 175.2 0.1 . 1 . . . . . . . . 5700 1 12 . 1 1 5 5 PHE CA C 13 57.4 0.1 . 1 . . . . . . . . 5700 1 13 . 1 1 5 5 PHE CB C 13 38.7 0.1 . 1 . . . . . . . . 5700 1 14 . 1 1 5 5 PHE HA H 1 4.55 0.03 . 1 . . . . . . . . 5700 1 15 . 1 1 6 6 ASP N N 15 122.1 0.1 . 1 . . . . . . . . 5700 1 16 . 1 1 6 6 ASP H H 1 8.20 0.03 . 1 . . . . . . . . 5700 1 17 . 1 1 6 6 ASP C C 13 175.7 0.1 . 1 . . . . . . . . 5700 1 18 . 1 1 6 6 ASP CA C 13 53.7 0.1 . 1 . . . . . . . . 5700 1 19 . 1 1 6 6 ASP CB C 13 40.6 0.1 . 1 . . . . . . . . 5700 1 20 . 1 1 6 6 ASP HA H 1 4.55 0.03 . 1 . . . . . . . . 5700 1 21 . 1 1 7 7 ALA N N 15 124.0 0.1 . 1 . . . . . . . . 5700 1 22 . 1 1 7 7 ALA H H 1 8.12 0.03 . 1 . . . . . . . . 5700 1 23 . 1 1 7 7 ALA C C 13 177.5 0.1 . 1 . . . . . . . . 5700 1 24 . 1 1 7 7 ALA CA C 13 52.2 0.1 . 1 . . . . . . . . 5700 1 25 . 1 1 7 7 ALA CB C 13 18.3 0.1 . 1 . . . . . . . . 5700 1 26 . 1 1 7 7 ALA HA H 1 4.23 0.03 . 1 . . . . . . . . 5700 1 27 . 1 1 8 8 LEU N N 15 119.8 0.1 . 1 . . . . . . . . 5700 1 28 . 1 1 8 8 LEU H H 1 8.15 0.03 . 1 . . . . . . . . 5700 1 29 . 1 1 8 8 LEU C C 13 177.2 0.1 . 1 . . . . . . . . 5700 1 30 . 1 1 8 8 LEU CA C 13 54.5 0.1 . 1 . . . . . . . . 5700 1 31 . 1 1 8 8 LEU CB C 13 41.1 0.1 . 1 . . . . . . . . 5700 1 32 . 1 1 8 8 LEU HA H 1 4.35 0.03 . 1 . . . . . . . . 5700 1 33 . 1 1 9 9 SER N N 15 117.4 0.1 . 1 . . . . . . . . 5700 1 34 . 1 1 9 9 SER H H 1 8.11 0.03 . 1 . . . . . . . . 5700 1 35 . 1 1 9 9 SER C C 13 172.4 0.1 . 1 . . . . . . . . 5700 1 36 . 1 1 9 9 SER CA C 13 55.7 0.1 . 1 . . . . . . . . 5700 1 37 . 1 1 10 10 PRO C C 13 175.3 0.1 . 1 . . . . . . . . 5700 1 38 . 1 1 10 10 PRO CA C 13 62.8 0.1 . 1 . . . . . . . . 5700 1 39 . 1 1 10 10 PRO CB C 13 31.1 0.1 . 1 . . . . . . . . 5700 1 40 . 1 1 11 11 SER N N 15 115.3 0.1 . 1 . . . . . . . . 5700 1 41 . 1 1 11 11 SER H H 1 8.07 0.03 . 1 . . . . . . . . 5700 1 42 . 1 1 11 11 SER C C 13 172.9 0.1 . 1 . . . . . . . . 5700 1 43 . 1 1 11 11 SER CA C 13 54.6 0.1 . 1 . . . . . . . . 5700 1 44 . 1 1 11 11 SER HA H 1 4.58 0.03 . 1 . . . . . . . . 5700 1 45 . 1 1 12 12 PRO C C 13 176.3 0.1 . 1 . . . . . . . . 5700 1 46 . 1 1 12 12 PRO CA C 13 62.2 0.1 . 1 . . . . . . . . 5700 1 47 . 1 1 12 12 PRO CB C 13 31.0 0.1 . 1 . . . . . . . . 5700 1 48 . 1 1 13 13 ALA N N 15 123.5 0.1 . 1 . . . . . . . . 5700 1 49 . 1 1 13 13 ALA H H 1 8.32 0.03 . 1 . . . . . . . . 5700 1 50 . 1 1 13 13 ALA C C 13 177.3 0.1 . 1 . . . . . . . . 5700 1 51 . 1 1 13 13 ALA CA C 13 52.0 0.1 . 1 . . . . . . . . 5700 1 52 . 1 1 13 13 ALA HA H 1 4.23 0.03 . 1 . . . . . . . . 5700 1 53 . 1 1 14 14 ILE N N 15 121.6 0.1 . 1 . . . . . . . . 5700 1 54 . 1 1 14 14 ILE H H 1 8.21 0.03 . 1 . . . . . . . . 5700 1 55 . 1 1 14 14 ILE CA C 13 58.2 0.1 . 1 . . . . . . . . 5700 1 56 . 1 1 15 15 PRO C C 13 176.0 0.1 . 1 . . . . . . . . 5700 1 57 . 1 1 15 15 PRO CA C 13 62.2 0.1 . 1 . . . . . . . . 5700 1 58 . 1 1 15 15 PRO CB C 13 31.1 0.1 . 1 . . . . . . . . 5700 1 59 . 1 1 16 16 SER N N 15 116.8 0.1 . 1 . . . . . . . . 5700 1 60 . 1 1 16 16 SER H H 1 8.27 0.03 . 1 . . . . . . . . 5700 1 61 . 1 1 16 16 SER C C 13 174.3 0.1 . 1 . . . . . . . . 5700 1 62 . 1 1 16 16 SER CA C 13 58.0 0.1 . 1 . . . . . . . . 5700 1 63 . 1 1 16 16 SER CB C 13 62.9 0.1 . 1 . . . . . . . . 5700 1 64 . 1 1 16 16 SER HA H 1 4.46 0.03 . 1 . . . . . . . . 5700 1 65 . 1 1 17 17 ASN N N 15 120.1 0.1 . 1 . . . . . . . . 5700 1 66 . 1 1 17 17 ASN H H 1 8.20 0.03 . 1 . . . . . . . . 5700 1 67 . 1 1 17 17 ASN C C 13 174.7 0.1 . 1 . . . . . . . . 5700 1 68 . 1 1 17 17 ASN CA C 13 51.6 0.1 . 1 . . . . . . . . 5700 1 69 . 1 1 17 17 ASN CB C 13 37.6 0.1 . 1 . . . . . . . . 5700 1 70 . 1 1 17 17 ASN HA H 1 4.27 0.03 . 1 . . . . . . . . 5700 1 71 . 1 1 18 18 THR N N 15 112.2 0.1 . 1 . . . . . . . . 5700 1 72 . 1 1 18 18 THR H H 1 7.65 0.03 . 1 . . . . . . . . 5700 1 73 . 1 1 18 18 THR C C 13 174.6 0.1 . 1 . . . . . . . . 5700 1 74 . 1 1 18 18 THR CA C 13 60.9 0.1 . 1 . . . . . . . . 5700 1 75 . 1 1 18 18 THR CB C 13 70.1 0.1 . 1 . . . . . . . . 5700 1 76 . 1 1 18 18 THR HA H 1 4.33 0.03 . 1 . . . . . . . . 5700 1 77 . 1 1 19 19 ASP N N 15 125.8 0.1 . 1 . . . . . . . . 5700 1 78 . 1 1 19 19 ASP H H 1 8.86 0.03 . 1 . . . . . . . . 5700 1 79 . 1 1 19 19 ASP C C 13 176.8 0.1 . 1 . . . . . . . . 5700 1 80 . 1 1 19 19 ASP CA C 13 55.1 0.1 . 1 . . . . . . . . 5700 1 81 . 1 1 19 19 ASP CB C 13 41.2 0.1 . 1 . . . . . . . . 5700 1 82 . 1 1 20 20 TYR N N 15 121.9 0.1 . 1 . . . . . . . . 5700 1 83 . 1 1 20 20 TYR H H 1 9.74 0.03 . 1 . . . . . . . . 5700 1 84 . 1 1 20 20 TYR C C 13 171.9 0.1 . 1 . . . . . . . . 5700 1 85 . 1 1 20 20 TYR CA C 13 53.3 0.1 . 1 . . . . . . . . 5700 1 86 . 1 1 20 20 TYR CB C 13 40.1 0.1 . 1 . . . . . . . . 5700 1 87 . 1 1 20 20 TYR HA H 1 5.31 0.03 . 1 . . . . . . . . 5700 1 88 . 1 1 21 21 PRO C C 13 179.2 0.1 . 1 . . . . . . . . 5700 1 89 . 1 1 21 21 PRO CA C 13 64.4 0.1 . 1 . . . . . . . . 5700 1 90 . 1 1 22 22 GLY N N 15 101.4 0.1 . 1 . . . . . . . . 5700 1 91 . 1 1 22 22 GLY H H 1 7.35 0.03 . 1 . . . . . . . . 5700 1 92 . 1 1 22 22 GLY CA C 13 44.6 0.1 . 1 . . . . . . . . 5700 1 93 . 1 1 23 23 PRO C C 13 177.6 0.1 . 1 . . . . . . . . 5700 1 94 . 1 1 23 23 PRO CA C 13 63.4 0.1 . 1 . . . . . . . . 5700 1 95 . 1 1 24 24 HIS N N 15 116.6 0.1 . 1 . . . . . . . . 5700 1 96 . 1 1 24 24 HIS H H 1 8.95 0.03 . 1 . . . . . . . . 5700 1 97 . 1 1 24 24 HIS C C 13 174.5 0.1 . 1 . . . . . . . . 5700 1 98 . 1 1 24 24 HIS CA C 13 54.5 0.1 . 1 . . . . . . . . 5700 1 99 . 1 1 24 24 HIS CB C 13 26.2 0.1 . 1 . . . . . . . . 5700 1 100 . 1 1 24 24 HIS HA H 1 4.66 0.03 . 1 . . . . . . . . 5700 1 101 . 1 1 25 25 SER N N 15 115.4 0.1 . 1 . . . . . . . . 5700 1 102 . 1 1 25 25 SER H H 1 7.91 0.03 . 1 . . . . . . . . 5700 1 103 . 1 1 25 25 SER C C 13 171.9 0.1 . 1 . . . . . . . . 5700 1 104 . 1 1 25 25 SER CA C 13 58.5 0.1 . 1 . . . . . . . . 5700 1 105 . 1 1 25 25 SER CB C 13 60.3 0.1 . 1 . . . . . . . . 5700 1 106 . 1 1 25 25 SER HA H 1 4.58 0.03 . 1 . . . . . . . . 5700 1 107 . 1 1 26 26 PHE N N 15 121.5 0.1 . 1 . . . . . . . . 5700 1 108 . 1 1 26 26 PHE H H 1 8.53 0.03 . 1 . . . . . . . . 5700 1 109 . 1 1 26 26 PHE C C 13 174.1 0.1 . 1 . . . . . . . . 5700 1 110 . 1 1 26 26 PHE CA C 13 56.7 0.1 . 1 . . . . . . . . 5700 1 111 . 1 1 26 26 PHE CB C 13 39.8 0.1 . 1 . . . . . . . . 5700 1 112 . 1 1 26 26 PHE HA H 1 4.91 0.03 . 1 . . . . . . . . 5700 1 113 . 1 1 27 27 ASP N N 15 129.5 0.1 . 1 . . . . . . . . 5700 1 114 . 1 1 27 27 ASP H H 1 9.07 0.03 . 1 . . . . . . . . 5700 1 115 . 1 1 27 27 ASP C C 13 173.3 0.1 . 1 . . . . . . . . 5700 1 116 . 1 1 27 27 ASP CA C 13 52.7 0.1 . 1 . . . . . . . . 5700 1 117 . 1 1 27 27 ASP CB C 13 44.4 0.1 . 1 . . . . . . . . 5700 1 118 . 1 1 27 27 ASP HA H 1 4.64 0.03 . 1 . . . . . . . . 5700 1 119 . 1 1 28 28 VAL N N 15 118.8 0.1 . 1 . . . . . . . . 5700 1 120 . 1 1 28 28 VAL H H 1 7.95 0.03 . 1 . . . . . . . . 5700 1 121 . 1 1 28 28 VAL C C 13 174.3 0.1 . 1 . . . . . . . . 5700 1 122 . 1 1 28 28 VAL CA C 13 58.9 0.1 . 1 . . . . . . . . 5700 1 123 . 1 1 28 28 VAL CB C 13 33.6 0.1 . 1 . . . . . . . . 5700 1 124 . 1 1 28 28 VAL HA H 1 4.86 0.03 . 1 . . . . . . . . 5700 1 125 . 1 1 29 29 SER N N 15 119.8 0.1 . 1 . . . . . . . . 5700 1 126 . 1 1 29 29 SER H H 1 8.96 0.03 . 1 . . . . . . . . 5700 1 127 . 1 1 29 29 SER C C 13 170.1 0.1 . 1 . . . . . . . . 5700 1 128 . 1 1 29 29 SER CA C 13 56.2 0.1 . 1 . . . . . . . . 5700 1 129 . 1 1 29 29 SER CB C 13 65.4 0.1 . 1 . . . . . . . . 5700 1 130 . 1 1 29 29 SER HA H 1 4.27 0.03 . 1 . . . . . . . . 5700 1 131 . 1 1 30 30 PHE N N 15 116.9 0.1 . 1 . . . . . . . . 5700 1 132 . 1 1 30 30 PHE H H 1 7.97 0.03 . 1 . . . . . . . . 5700 1 133 . 1 1 30 30 PHE C C 13 176.4 0.1 . 1 . . . . . . . . 5700 1 134 . 1 1 30 30 PHE CA C 13 56.1 0.1 . 1 . . . . . . . . 5700 1 135 . 1 1 30 30 PHE CB C 13 40.4 0.1 . 1 . . . . . . . . 5700 1 136 . 1 1 30 30 PHE HA H 1 4.56 0.03 . 1 . . . . . . . . 5700 1 137 . 1 1 31 31 GLN N N 15 122.2 0.1 . 1 . . . . . . . . 5700 1 138 . 1 1 31 31 GLN H H 1 8.90 0.03 . 1 . . . . . . . . 5700 1 139 . 1 1 31 31 GLN C C 13 175.1 0.1 . 1 . . . . . . . . 5700 1 140 . 1 1 31 31 GLN CA C 13 55.3 0.1 . 1 . . . . . . . . 5700 1 141 . 1 1 31 31 GLN CB C 13 28.8 0.1 . 1 . . . . . . . . 5700 1 142 . 1 1 31 31 GLN HA H 1 4.25 0.03 . 1 . . . . . . . . 5700 1 143 . 1 1 32 32 GLN N N 15 121.4 0.1 . 1 . . . . . . . . 5700 1 144 . 1 1 32 32 GLN H H 1 8.63 0.03 . 1 . . . . . . . . 5700 1 145 . 1 1 32 32 GLN C C 13 175.6 0.1 . 1 . . . . . . . . 5700 1 146 . 1 1 32 32 GLN CA C 13 55.7 0.1 . 1 . . . . . . . . 5700 1 147 . 1 1 32 32 GLN CB C 13 28.5 0.1 . 1 . . . . . . . . 5700 1 148 . 1 1 32 32 GLN HA H 1 4.47 0.03 . 1 . . . . . . . . 5700 1 149 . 1 1 33 33 SER N N 15 117.6 0.1 . 1 . . . . . . . . 5700 1 150 . 1 1 33 33 SER H H 1 8.40 0.03 . 1 . . . . . . . . 5700 1 151 . 1 1 33 33 SER C C 13 172.7 0.1 . 1 . . . . . . . . 5700 1 152 . 1 1 33 33 SER CA C 13 57.5 0.1 . 1 . . . . . . . . 5700 1 153 . 1 1 34 34 SER N N 15 120.8 0.1 . 1 . . . . . . . . 5700 1 154 . 1 1 34 34 SER H H 1 7.44 0.03 . 1 . . . . . . . . 5700 1 155 . 1 1 34 34 SER C C 13 174.1 0.1 . 1 . . . . . . . . 5700 1 156 . 1 1 34 34 SER CA C 13 57.5 0.1 . 1 . . . . . . . . 5700 1 157 . 1 1 35 35 THR N N 15 112.3 0.1 . 1 . . . . . . . . 5700 1 158 . 1 1 35 35 THR H H 1 7.65 0.03 . 1 . . . . . . . . 5700 1 159 . 1 1 35 35 THR C C 13 174.1 0.1 . 1 . . . . . . . . 5700 1 160 . 1 1 35 35 THR CA C 13 61.0 0.1 . 1 . . . . . . . . 5700 1 161 . 1 1 35 35 THR CB C 13 68.1 0.1 . 1 . . . . . . . . 5700 1 162 . 1 1 36 36 ALA N N 15 124.9 0.1 . 1 . . . . . . . . 5700 1 163 . 1 1 36 36 ALA H H 1 7.99 0.03 . 1 . . . . . . . . 5700 1 164 . 1 1 36 36 ALA C C 13 178.2 0.1 . 1 . . . . . . . . 5700 1 165 . 1 1 36 36 ALA CA C 13 52.0 0.1 . 1 . . . . . . . . 5700 1 166 . 1 1 36 36 ALA HA H 1 4.53 0.03 . 1 . . . . . . . . 5700 1 167 . 1 1 37 37 LYS N N 15 120.9 0.1 . 1 . . . . . . . . 5700 1 168 . 1 1 37 37 LYS H H 1 8.15 0.03 . 1 . . . . . . . . 5700 1 169 . 1 1 37 37 LYS C C 13 176.9 0.1 . 1 . . . . . . . . 5700 1 170 . 1 1 37 37 LYS CA C 13 56.4 0.1 . 1 . . . . . . . . 5700 1 171 . 1 1 38 38 SER N N 15 112.7 0.1 . 1 . . . . . . . . 5700 1 172 . 1 1 38 38 SER H H 1 7.94 0.03 . 1 . . . . . . . . 5700 1 173 . 1 1 38 38 SER C C 13 174.2 0.1 . 1 . . . . . . . . 5700 1 174 . 1 1 38 38 SER CA C 13 57.1 0.1 . 1 . . . . . . . . 5700 1 175 . 1 1 39 39 ALA N N 15 125.4 0.1 . 1 . . . . . . . . 5700 1 176 . 1 1 39 39 ALA H H 1 7.85 0.03 . 1 . . . . . . . . 5700 1 177 . 1 1 39 39 ALA C C 13 178.3 0.1 . 1 . . . . . . . . 5700 1 178 . 1 1 39 39 ALA CA C 13 52.4 0.1 . 1 . . . . . . . . 5700 1 179 . 1 1 39 39 ALA CB C 13 17.6 0.1 . 1 . . . . . . . . 5700 1 180 . 1 1 39 39 ALA HA H 1 4.46 0.03 . 1 . . . . . . . . 5700 1 181 . 1 1 40 40 THR N N 15 111.6 0.1 . 1 . . . . . . . . 5700 1 182 . 1 1 40 40 THR H H 1 8.49 0.03 . 1 . . . . . . . . 5700 1 183 . 1 1 40 40 THR C C 13 173.2 0.1 . 1 . . . . . . . . 5700 1 184 . 1 1 40 40 THR CA C 13 62.6 0.1 . 1 . . . . . . . . 5700 1 185 . 1 1 40 40 THR CB C 13 69.1 0.1 . 1 . . . . . . . . 5700 1 186 . 1 1 40 40 THR HA H 1 4.27 0.03 . 1 . . . . . . . . 5700 1 187 . 1 1 41 41 TRP N N 15 114.5 0.1 . 1 . . . . . . . . 5700 1 188 . 1 1 41 41 TRP H H 1 7.18 0.03 . 1 . . . . . . . . 5700 1 189 . 1 1 41 41 TRP C C 13 173.6 0.1 . 1 . . . . . . . . 5700 1 190 . 1 1 41 41 TRP CA C 13 54.9 0.1 . 1 . . . . . . . . 5700 1 191 . 1 1 41 41 TRP CB C 13 30.9 0.1 . 1 . . . . . . . . 5700 1 192 . 1 1 41 41 TRP HA H 1 5.48 0.03 . 1 . . . . . . . . 5700 1 193 . 1 1 42 42 THR N N 15 114.6 0.1 . 1 . . . . . . . . 5700 1 194 . 1 1 42 42 THR H H 1 9.70 0.03 . 1 . . . . . . . . 5700 1 195 . 1 1 42 42 THR C C 13 170.1 0.1 . 1 . . . . . . . . 5700 1 196 . 1 1 42 42 THR CA C 13 61.1 0.1 . 1 . . . . . . . . 5700 1 197 . 1 1 42 42 THR CB C 13 68.0 0.1 . 1 . . . . . . . . 5700 1 198 . 1 1 42 42 THR HA H 1 4.17 0.03 . 1 . . . . . . . . 5700 1 199 . 1 1 43 43 TYR N N 15 128.2 0.1 . 1 . . . . . . . . 5700 1 200 . 1 1 43 43 TYR H H 1 8.63 0.03 . 1 . . . . . . . . 5700 1 201 . 1 1 43 43 TYR C C 13 173.8 0.1 . 1 . . . . . . . . 5700 1 202 . 1 1 43 43 TYR CA C 13 56.0 0.1 . 1 . . . . . . . . 5700 1 203 . 1 1 43 43 TYR CB C 13 41.3 0.1 . 1 . . . . . . . . 5700 1 204 . 1 1 43 43 TYR HA H 1 5.40 0.03 . 1 . . . . . . . . 5700 1 205 . 1 1 44 44 SER N N 15 120.1 0.1 . 1 . . . . . . . . 5700 1 206 . 1 1 44 44 SER H H 1 8.57 0.03 . 1 . . . . . . . . 5700 1 207 . 1 1 44 44 SER C C 13 175.1 0.1 . 1 . . . . . . . . 5700 1 208 . 1 1 44 44 SER CA C 13 55.1 0.1 . 1 . . . . . . . . 5700 1 209 . 1 1 44 44 SER CB C 13 63.4 0.1 . 1 . . . . . . . . 5700 1 210 . 1 1 44 44 SER HA H 1 4.52 0.03 . 1 . . . . . . . . 5700 1 211 . 1 1 45 45 THR N N 15 123.8 0.1 . 1 . . . . . . . . 5700 1 212 . 1 1 45 45 THR H H 1 8.38 0.03 . 1 . . . . . . . . 5700 1 213 . 1 1 45 45 THR C C 13 177.2 0.1 . 1 . . . . . . . . 5700 1 214 . 1 1 45 45 THR CA C 13 64.1 0.1 . 1 . . . . . . . . 5700 1 215 . 1 1 45 45 THR CB C 13 68.1 0.1 . 1 . . . . . . . . 5700 1 216 . 1 1 45 45 THR HA H 1 4.33 0.03 . 1 . . . . . . . . 5700 1 217 . 1 1 46 46 GLU N N 15 122.2 0.1 . 1 . . . . . . . . 5700 1 218 . 1 1 46 46 GLU H H 1 8.58 0.03 . 1 . . . . . . . . 5700 1 219 . 1 1 46 46 GLU C C 13 177.9 0.1 . 1 . . . . . . . . 5700 1 220 . 1 1 46 46 GLU CA C 13 58.8 0.1 . 1 . . . . . . . . 5700 1 221 . 1 1 46 46 GLU CB C 13 29.3 0.1 . 1 . . . . . . . . 5700 1 222 . 1 1 46 46 GLU HA H 1 4.08 0.03 . 1 . . . . . . . . 5700 1 223 . 1 1 47 47 LEU N N 15 114.9 0.1 . 1 . . . . . . . . 5700 1 224 . 1 1 47 47 LEU H H 1 7.56 0.03 . 1 . . . . . . . . 5700 1 225 . 1 1 47 47 LEU C C 13 175.8 0.1 . 1 . . . . . . . . 5700 1 226 . 1 1 47 47 LEU CA C 13 53.7 0.1 . 1 . . . . . . . . 5700 1 227 . 1 1 47 47 LEU CB C 13 41.3 0.1 . 1 . . . . . . . . 5700 1 228 . 1 1 47 47 LEU HA H 1 4.31 0.03 . 1 . . . . . . . . 5700 1 229 . 1 1 48 48 LYS N N 15 120.8 0.1 . 1 . . . . . . . . 5700 1 230 . 1 1 48 48 LYS H H 1 7.67 0.03 . 1 . . . . . . . . 5700 1 231 . 1 1 48 48 LYS C C 13 174.5 0.1 . 1 . . . . . . . . 5700 1 232 . 1 1 48 48 LYS CA C 13 56.5 0.1 . 1 . . . . . . . . 5700 1 233 . 1 1 48 48 LYS CB C 13 29.1 0.1 . 1 . . . . . . . . 5700 1 234 . 1 1 48 48 LYS HA H 1 3.94 0.03 . 1 . . . . . . . . 5700 1 235 . 1 1 49 49 LYS N N 15 119.2 0.1 . 1 . . . . . . . . 5700 1 236 . 1 1 49 49 LYS H H 1 7.02 0.03 . 1 . . . . . . . . 5700 1 237 . 1 1 49 49 LYS C C 13 171.8 0.1 . 1 . . . . . . . . 5700 1 238 . 1 1 49 49 LYS CA C 13 54.3 0.1 . 1 . . . . . . . . 5700 1 239 . 1 1 49 49 LYS CB C 13 37.9 0.1 . 1 . . . . . . . . 5700 1 240 . 1 1 49 49 LYS HA H 1 5.01 0.03 . 1 . . . . . . . . 5700 1 241 . 1 1 50 50 LEU N N 15 129.0 0.1 . 1 . . . . . . . . 5700 1 242 . 1 1 50 50 LEU H H 1 9.28 0.03 . 1 . . . . . . . . 5700 1 243 . 1 1 50 50 LEU C C 13 173.1 0.1 . 1 . . . . . . . . 5700 1 244 . 1 1 50 50 LEU CA C 13 53.4 0.1 . 1 . . . . . . . . 5700 1 245 . 1 1 50 50 LEU CB C 13 44.1 0.1 . 1 . . . . . . . . 5700 1 246 . 1 1 51 51 TYR N N 15 124.8 0.1 . 1 . . . . . . . . 5700 1 247 . 1 1 51 51 TYR H H 1 9.28 0.03 . 1 . . . . . . . . 5700 1 248 . 1 1 51 51 TYR C C 13 175.5 0.1 . 1 . . . . . . . . 5700 1 249 . 1 1 51 51 TYR CA C 13 54.9 0.1 . 1 . . . . . . . . 5700 1 250 . 1 1 51 51 TYR CB C 13 39.5 0.1 . 1 . . . . . . . . 5700 1 251 . 1 1 52 52 CYS N N 15 119.7 0.1 . 1 . . . . . . . . 5700 1 252 . 1 1 52 52 CYS H H 1 9.22 0.03 . 1 . . . . . . . . 5700 1 253 . 1 1 52 52 CYS C C 13 171.9 0.1 . 1 . . . . . . . . 5700 1 254 . 1 1 52 52 CYS CA C 13 56.3 0.1 . 1 . . . . . . . . 5700 1 255 . 1 1 52 52 CYS CB C 13 31.2 0.1 . 1 . . . . . . . . 5700 1 256 . 1 1 52 52 CYS HA H 1 5.56 0.03 . 1 . . . . . . . . 5700 1 257 . 1 1 53 53 GLN N N 15 121.1 0.1 . 1 . . . . . . . . 5700 1 258 . 1 1 53 53 GLN H H 1 8.31 0.03 . 1 . . . . . . . . 5700 1 259 . 1 1 53 53 GLN C C 13 176.7 0.1 . 1 . . . . . . . . 5700 1 260 . 1 1 53 53 GLN CA C 13 54.5 0.1 . 1 . . . . . . . . 5700 1 261 . 1 1 53 53 GLN CB C 13 30.9 0.1 . 1 . . . . . . . . 5700 1 262 . 1 1 53 53 GLN HA H 1 4.19 0.03 . 1 . . . . . . . . 5700 1 263 . 1 1 54 54 ILE N N 15 123.7 0.1 . 1 . . . . . . . . 5700 1 264 . 1 1 54 54 ILE H H 1 8.76 0.03 . 1 . . . . . . . . 5700 1 265 . 1 1 54 54 ILE C C 13 174.3 0.1 . 1 . . . . . . . . 5700 1 266 . 1 1 54 54 ILE CA C 13 61.0 0.1 . 1 . . . . . . . . 5700 1 267 . 1 1 54 54 ILE CB C 13 36.9 0.1 . 1 . . . . . . . . 5700 1 268 . 1 1 55 55 ALA N N 15 123.1 0.1 . 1 . . . . . . . . 5700 1 269 . 1 1 55 55 ALA H H 1 8.71 0.03 . 1 . . . . . . . . 5700 1 270 . 1 1 55 55 ALA C C 13 175.7 0.1 . 1 . . . . . . . . 5700 1 271 . 1 1 55 55 ALA CA C 13 54.0 0.1 . 1 . . . . . . . . 5700 1 272 . 1 1 55 55 ALA CB C 13 18.0 0.1 . 1 . . . . . . . . 5700 1 273 . 1 1 56 56 LYS N N 15 117.8 0.1 . 1 . . . . . . . . 5700 1 274 . 1 1 56 56 LYS H H 1 7.49 0.03 . 1 . . . . . . . . 5700 1 275 . 1 1 56 56 LYS C C 13 177.1 0.1 . 1 . . . . . . . . 5700 1 276 . 1 1 56 56 LYS CA C 13 53.7 0.1 . 1 . . . . . . . . 5700 1 277 . 1 1 56 56 LYS CB C 13 33.2 0.1 . 1 . . . . . . . . 5700 1 278 . 1 1 56 56 LYS HA H 1 4.70 0.03 . 1 . . . . . . . . 5700 1 279 . 1 1 57 57 THR N N 15 117.4 0.1 . 1 . . . . . . . . 5700 1 280 . 1 1 57 57 THR H H 1 8.10 0.03 . 1 . . . . . . . . 5700 1 281 . 1 1 57 57 THR C C 13 173.9 0.1 . 1 . . . . . . . . 5700 1 282 . 1 1 57 57 THR CA C 13 65.0 0.1 . 1 . . . . . . . . 5700 1 283 . 1 1 57 57 THR HA H 1 4.58 0.03 . 1 . . . . . . . . 5700 1 284 . 1 1 58 58 CYS N N 15 127.7 0.1 . 1 . . . . . . . . 5700 1 285 . 1 1 58 58 CYS H H 1 9.15 0.03 . 1 . . . . . . . . 5700 1 286 . 1 1 58 58 CYS C C 13 171.6 0.1 . 1 . . . . . . . . 5700 1 287 . 1 1 58 58 CYS CA C 13 55.2 0.1 . 1 . . . . . . . . 5700 1 288 . 1 1 58 58 CYS CB C 13 27.1 0.1 . 1 . . . . . . . . 5700 1 289 . 1 1 58 58 CYS HA H 1 4.54 0.03 . 1 . . . . . . . . 5700 1 290 . 1 1 59 59 PRO C C 13 175.1 0.1 . 1 . . . . . . . . 5700 1 291 . 1 1 59 59 PRO CA C 13 60.9 0.1 . 1 . . . . . . . . 5700 1 292 . 1 1 60 60 ILE N N 15 124.3 0.1 . 1 . . . . . . . . 5700 1 293 . 1 1 60 60 ILE H H 1 8.92 0.03 . 1 . . . . . . . . 5700 1 294 . 1 1 60 60 ILE C C 13 173.9 0.1 . 1 . . . . . . . . 5700 1 295 . 1 1 60 60 ILE CA C 13 60.0 0.1 . 1 . . . . . . . . 5700 1 296 . 1 1 60 60 ILE HA H 1 3.72 0.03 . 1 . . . . . . . . 5700 1 297 . 1 1 61 61 GLN N N 15 121.4 0.1 . 1 . . . . . . . . 5700 1 298 . 1 1 61 61 GLN H H 1 7.83 0.03 . 1 . . . . . . . . 5700 1 299 . 1 1 61 61 GLN C C 13 174.8 0.1 . 1 . . . . . . . . 5700 1 300 . 1 1 61 61 GLN CA C 13 53.7 0.1 . 1 . . . . . . . . 5700 1 301 . 1 1 61 61 GLN CB C 13 28.2 0.1 . 1 . . . . . . . . 5700 1 302 . 1 1 61 61 GLN HA H 1 4.21 0.03 . 1 . . . . . . . . 5700 1 303 . 1 1 62 62 ILE N N 15 123.7 0.1 . 1 . . . . . . . . 5700 1 304 . 1 1 62 62 ILE H H 1 9.51 0.03 . 1 . . . . . . . . 5700 1 305 . 1 1 62 62 ILE C C 13 174.4 0.1 . 1 . . . . . . . . 5700 1 306 . 1 1 62 62 ILE CA C 13 58.8 0.1 . 1 . . . . . . . . 5700 1 307 . 1 1 62 62 ILE CB C 13 39.4 0.1 . 1 . . . . . . . . 5700 1 308 . 1 1 62 62 ILE HA H 1 4.71 0.03 . 1 . . . . . . . . 5700 1 309 . 1 1 63 63 LYS N N 15 127.8 0.1 . 1 . . . . . . . . 5700 1 310 . 1 1 63 63 LYS H H 1 8.75 0.03 . 1 . . . . . . . . 5700 1 311 . 1 1 63 63 LYS C C 13 174.1 0.1 . 1 . . . . . . . . 5700 1 312 . 1 1 63 63 LYS CA C 13 54.0 0.1 . 1 . . . . . . . . 5700 1 313 . 1 1 63 63 LYS CB C 13 36.1 0.1 . 1 . . . . . . . . 5700 1 314 . 1 1 63 63 LYS HA H 1 5.11 0.03 . 1 . . . . . . . . 5700 1 315 . 1 1 64 64 VAL N N 15 113.4 0.1 . 1 . . . . . . . . 5700 1 316 . 1 1 64 64 VAL H H 1 7.94 0.03 . 1 . . . . . . . . 5700 1 317 . 1 1 64 64 VAL C C 13 176.1 0.1 . 1 . . . . . . . . 5700 1 318 . 1 1 64 64 VAL CA C 13 58.5 0.1 . 1 . . . . . . . . 5700 1 319 . 1 1 64 64 VAL CB C 13 34.6 0.1 . 1 . . . . . . . . 5700 1 320 . 1 1 64 64 VAL HA H 1 4.90 0.03 . 1 . . . . . . . . 5700 1 321 . 1 1 65 65 MET N N 15 118.6 0.1 . 1 . . . . . . . . 5700 1 322 . 1 1 65 65 MET H H 1 8.82 0.03 . 1 . . . . . . . . 5700 1 323 . 1 1 65 65 MET C C 13 176.7 0.1 . 1 . . . . . . . . 5700 1 324 . 1 1 65 65 MET CA C 13 55.2 0.1 . 1 . . . . . . . . 5700 1 325 . 1 1 65 65 MET CB C 13 32.6 0.1 . 1 . . . . . . . . 5700 1 326 . 1 1 65 65 MET HA H 1 4.74 0.03 . 1 . . . . . . . . 5700 1 327 . 1 1 66 66 THR N N 15 110.5 0.1 . 1 . . . . . . . . 5700 1 328 . 1 1 66 66 THR H H 1 7.49 0.03 . 1 . . . . . . . . 5700 1 329 . 1 1 66 66 THR C C 13 171.4 0.1 . 1 . . . . . . . . 5700 1 330 . 1 1 66 66 THR CA C 13 57.3 0.1 . 1 . . . . . . . . 5700 1 331 . 1 1 66 66 THR HA H 1 4.77 0.03 . 1 . . . . . . . . 5700 1 332 . 1 1 69 69 PRO C C 13 176.0 0.1 . 1 . . . . . . . . 5700 1 333 . 1 1 69 69 PRO CA C 13 61.6 0.1 . 1 . . . . . . . . 5700 1 334 . 1 1 69 69 PRO CB C 13 31.2 0.1 . 1 . . . . . . . . 5700 1 335 . 1 1 70 70 GLN N N 15 120.1 0.1 . 1 . . . . . . . . 5700 1 336 . 1 1 70 70 GLN H H 1 8.50 0.03 . 1 . . . . . . . . 5700 1 337 . 1 1 70 70 GLN C C 13 177.9 0.1 . 1 . . . . . . . . 5700 1 338 . 1 1 70 70 GLN CA C 13 56.7 0.1 . 1 . . . . . . . . 5700 1 339 . 1 1 70 70 GLN CB C 13 27.5 0.1 . 1 . . . . . . . . 5700 1 340 . 1 1 71 71 GLY N N 15 114.2 0.1 . 1 . . . . . . . . 5700 1 341 . 1 1 71 71 GLY H H 1 9.19 0.03 . 1 . . . . . . . . 5700 1 342 . 1 1 71 71 GLY C C 13 172.9 0.1 . 1 . . . . . . . . 5700 1 343 . 1 1 71 71 GLY CA C 13 44.6 0.1 . 1 . . . . . . . . 5700 1 344 . 1 1 72 72 ALA N N 15 119.4 0.1 . 1 . . . . . . . . 5700 1 345 . 1 1 72 72 ALA H H 1 7.40 0.03 . 1 . . . . . . . . 5700 1 346 . 1 1 72 72 ALA C C 13 177.3 0.1 . 1 . . . . . . . . 5700 1 347 . 1 1 72 72 ALA CA C 13 51.7 0.1 . 1 . . . . . . . . 5700 1 348 . 1 1 72 72 ALA CB C 13 17.7 0.1 . 1 . . . . . . . . 5700 1 349 . 1 1 72 72 ALA HA H 1 4.64 0.03 . 1 . . . . . . . . 5700 1 350 . 1 1 73 73 VAL N N 15 113.8 0.1 . 1 . . . . . . . . 5700 1 351 . 1 1 73 73 VAL H H 1 9.12 0.03 . 1 . . . . . . . . 5700 1 352 . 1 1 73 73 VAL C C 13 173.4 0.1 . 1 . . . . . . . . 5700 1 353 . 1 1 73 73 VAL CA C 13 58.6 0.1 . 1 . . . . . . . . 5700 1 354 . 1 1 73 73 VAL CB C 13 35.6 0.1 . 1 . . . . . . . . 5700 1 355 . 1 1 73 73 VAL HA H 1 5.02 0.03 . 1 . . . . . . . . 5700 1 356 . 1 1 74 74 ILE N N 15 120.1 0.1 . 1 . . . . . . . . 5700 1 357 . 1 1 74 74 ILE H H 1 9.15 0.03 . 1 . . . . . . . . 5700 1 358 . 1 1 74 74 ILE C C 13 176.1 0.1 . 1 . . . . . . . . 5700 1 359 . 1 1 74 74 ILE CA C 13 57.8 0.1 . 1 . . . . . . . . 5700 1 360 . 1 1 74 74 ILE CB C 13 38.5 0.1 . 1 . . . . . . . . 5700 1 361 . 1 1 74 74 ILE HA H 1 5.30 0.03 . 1 . . . . . . . . 5700 1 362 . 1 1 75 75 ARG N N 15 132.2 0.1 . 1 . . . . . . . . 5700 1 363 . 1 1 75 75 ARG H H 1 9.69 0.03 . 1 . . . . . . . . 5700 1 364 . 1 1 75 75 ARG C C 13 173.4 0.1 . 1 . . . . . . . . 5700 1 365 . 1 1 75 75 ARG CA C 13 53.6 0.1 . 1 . . . . . . . . 5700 1 366 . 1 1 75 75 ARG CB C 13 32.2 0.1 . 1 . . . . . . . . 5700 1 367 . 1 1 75 75 ARG HA H 1 5.26 0.03 . 1 . . . . . . . . 5700 1 368 . 1 1 76 76 ALA N N 15 126.8 0.1 . 1 . . . . . . . . 5700 1 369 . 1 1 76 76 ALA H H 1 8.46 0.03 . 1 . . . . . . . . 5700 1 370 . 1 1 76 76 ALA C C 13 175.4 0.1 . 1 . . . . . . . . 5700 1 371 . 1 1 76 76 ALA CA C 13 50.2 0.1 . 1 . . . . . . . . 5700 1 372 . 1 1 76 76 ALA CB C 13 20.2 0.1 . 1 . . . . . . . . 5700 1 373 . 1 1 76 76 ALA HA H 1 5.35 0.03 . 1 . . . . . . . . 5700 1 374 . 1 1 77 77 MET N N 15 120.9 0.1 . 1 . . . . . . . . 5700 1 375 . 1 1 77 77 MET H H 1 8.48 0.03 . 1 . . . . . . . . 5700 1 376 . 1 1 77 77 MET C C 13 172.6 0.1 . 1 . . . . . . . . 5700 1 377 . 1 1 77 77 MET CA C 13 51.3 0.1 . 1 . . . . . . . . 5700 1 378 . 1 1 78 78 PRO C C 13 175.5 0.1 . 1 . . . . . . . . 5700 1 379 . 1 1 78 78 PRO CA C 13 60.3 0.1 . 1 . . . . . . . . 5700 1 380 . 1 1 78 78 PRO CB C 13 30.9 0.1 . 1 . . . . . . . . 5700 1 381 . 1 1 79 79 VAL N N 15 116.7 0.1 . 1 . . . . . . . . 5700 1 382 . 1 1 79 79 VAL H H 1 9.17 0.03 . 1 . . . . . . . . 5700 1 383 . 1 1 79 79 VAL C C 13 174.4 0.1 . 1 . . . . . . . . 5700 1 384 . 1 1 79 79 VAL CA C 13 59.5 0.1 . 1 . . . . . . . . 5700 1 385 . 1 1 79 79 VAL CB C 13 36.7 0.1 . 1 . . . . . . . . 5700 1 386 . 1 1 79 79 VAL HA H 1 4.43 0.03 . 1 . . . . . . . . 5700 1 387 . 1 1 80 80 TYR N N 15 123.2 0.1 . 1 . . . . . . . . 5700 1 388 . 1 1 80 80 TYR H H 1 9.26 0.03 . 1 . . . . . . . . 5700 1 389 . 1 1 80 80 TYR C C 13 175.1 0.1 . 1 . . . . . . . . 5700 1 390 . 1 1 80 80 TYR CA C 13 61.0 0.1 . 1 . . . . . . . . 5700 1 391 . 1 1 80 80 TYR CB C 13 37.3 0.1 . 1 . . . . . . . . 5700 1 392 . 1 1 81 81 LYS N N 15 120.0 0.1 . 1 . . . . . . . . 5700 1 393 . 1 1 81 81 LYS H H 1 8.08 0.03 . 1 . . . . . . . . 5700 1 394 . 1 1 81 81 LYS C C 13 177.3 0.1 . 1 . . . . . . . . 5700 1 395 . 1 1 81 81 LYS CA C 13 57.7 0.1 . 1 . . . . . . . . 5700 1 396 . 1 1 81 81 LYS CB C 13 35.0 0.1 . 1 . . . . . . . . 5700 1 397 . 1 1 81 81 LYS HA H 1 4.33 0.03 . 1 . . . . . . . . 5700 1 398 . 1 1 82 82 LYS N N 15 118.5 0.1 . 1 . . . . . . . . 5700 1 399 . 1 1 82 82 LYS H H 1 9.35 0.03 . 1 . . . . . . . . 5700 1 400 . 1 1 82 82 LYS C C 13 178.0 0.1 . 1 . . . . . . . . 5700 1 401 . 1 1 82 82 LYS CA C 13 56.1 0.1 . 1 . . . . . . . . 5700 1 402 . 1 1 82 82 LYS CB C 13 31.0 0.1 . 1 . . . . . . . . 5700 1 403 . 1 1 82 82 LYS HA H 1 4.28 0.03 . 1 . . . . . . . . 5700 1 404 . 1 1 83 83 ALA N N 15 126.1 0.1 . 1 . . . . . . . . 5700 1 405 . 1 1 83 83 ALA H H 1 8.71 0.03 . 1 . . . . . . . . 5700 1 406 . 1 1 83 83 ALA C C 13 179.6 0.1 . 1 . . . . . . . . 5700 1 407 . 1 1 83 83 ALA CA C 13 54.8 0.1 . 1 . . . . . . . . 5700 1 408 . 1 1 83 83 ALA CB C 13 17.7 0.1 . 1 . . . . . . . . 5700 1 409 . 1 1 84 84 GLU N N 15 114.8 0.1 . 1 . . . . . . . . 5700 1 410 . 1 1 84 84 GLU H H 1 9.36 0.03 . 1 . . . . . . . . 5700 1 411 . 1 1 84 84 GLU C C 13 176.3 0.1 . 1 . . . . . . . . 5700 1 412 . 1 1 84 84 GLU CA C 13 57.7 0.1 . 1 . . . . . . . . 5700 1 413 . 1 1 84 84 GLU CB C 13 27.8 0.1 . 1 . . . . . . . . 5700 1 414 . 1 1 84 84 GLU HA H 1 4.08 0.03 . 1 . . . . . . . . 5700 1 415 . 1 1 85 85 HIS N N 15 116.9 0.1 . 1 . . . . . . . . 5700 1 416 . 1 1 85 85 HIS H H 1 7.70 0.03 . 1 . . . . . . . . 5700 1 417 . 1 1 85 85 HIS C C 13 177.0 0.1 . 1 . . . . . . . . 5700 1 418 . 1 1 85 85 HIS CA C 13 54.2 0.1 . 1 . . . . . . . . 5700 1 419 . 1 1 85 85 HIS CB C 13 32.7 0.1 . 1 . . . . . . . . 5700 1 420 . 1 1 85 85 HIS HA H 1 5.07 0.03 . 1 . . . . . . . . 5700 1 421 . 1 1 86 86 VAL N N 15 117.9 0.1 . 1 . . . . . . . . 5700 1 422 . 1 1 86 86 VAL H H 1 7.39 0.03 . 1 . . . . . . . . 5700 1 423 . 1 1 86 86 VAL C C 13 177.1 0.1 . 1 . . . . . . . . 5700 1 424 . 1 1 86 86 VAL CA C 13 65.5 0.1 . 1 . . . . . . . . 5700 1 425 . 1 1 86 86 VAL CB C 13 31.4 0.1 . 1 . . . . . . . . 5700 1 426 . 1 1 87 87 THR N N 15 112.6 0.1 . 1 . . . . . . . . 5700 1 427 . 1 1 87 87 THR H H 1 8.34 0.03 . 1 . . . . . . . . 5700 1 428 . 1 1 87 87 THR C C 13 174.0 0.1 . 1 . . . . . . . . 5700 1 429 . 1 1 87 87 THR CA C 13 63.2 0.1 . 1 . . . . . . . . 5700 1 430 . 1 1 87 87 THR CB C 13 68.2 0.1 . 1 . . . . . . . . 5700 1 431 . 1 1 87 87 THR HA H 1 4.05 0.03 . 1 . . . . . . . . 5700 1 432 . 1 1 88 88 GLU N N 15 123.8 0.1 . 1 . . . . . . . . 5700 1 433 . 1 1 88 88 GLU H H 1 8.16 0.03 . 1 . . . . . . . . 5700 1 434 . 1 1 88 88 GLU C C 13 175.6 0.1 . 1 . . . . . . . . 5700 1 435 . 1 1 88 88 GLU CA C 13 55.6 0.1 . 1 . . . . . . . . 5700 1 436 . 1 1 88 88 GLU CB C 13 29.6 0.1 . 1 . . . . . . . . 5700 1 437 . 1 1 88 88 GLU HA H 1 4.47 0.03 . 1 . . . . . . . . 5700 1 438 . 1 1 89 89 VAL N N 15 126.2 0.1 . 1 . . . . . . . . 5700 1 439 . 1 1 89 89 VAL H H 1 8.81 0.03 . 1 . . . . . . . . 5700 1 440 . 1 1 89 89 VAL C C 13 176.8 0.1 . 1 . . . . . . . . 5700 1 441 . 1 1 89 89 VAL CA C 13 63.6 0.1 . 1 . . . . . . . . 5700 1 442 . 1 1 89 89 VAL CB C 13 29.6 0.1 . 1 . . . . . . . . 5700 1 443 . 1 1 89 89 VAL HA H 1 3.75 0.03 . 1 . . . . . . . . 5700 1 444 . 1 1 90 90 VAL N N 15 128.7 0.1 . 1 . . . . . . . . 5700 1 445 . 1 1 90 90 VAL H H 1 8.68 0.03 . 1 . . . . . . . . 5700 1 446 . 1 1 90 90 VAL C C 13 174.7 0.1 . 1 . . . . . . . . 5700 1 447 . 1 1 90 90 VAL CA C 13 62.8 0.1 . 1 . . . . . . . . 5700 1 448 . 1 1 90 90 VAL CB C 13 29.8 0.1 . 1 . . . . . . . . 5700 1 449 . 1 1 91 91 LYS N N 15 126.9 0.1 . 1 . . . . . . . . 5700 1 450 . 1 1 91 91 LYS H H 1 7.94 0.03 . 1 . . . . . . . . 5700 1 451 . 1 1 91 91 LYS C C 13 174.6 0.1 . 1 . . . . . . . . 5700 1 452 . 1 1 91 91 LYS CA C 13 54.7 0.1 . 1 . . . . . . . . 5700 1 453 . 1 1 91 91 LYS CB C 13 34.4 0.1 . 1 . . . . . . . . 5700 1 454 . 1 1 91 91 LYS HA H 1 4.86 0.03 . 1 . . . . . . . . 5700 1 455 . 1 1 92 92 ARG N N 15 116.0 0.1 . 1 . . . . . . . . 5700 1 456 . 1 1 92 92 ARG H H 1 8.40 0.03 . 1 . . . . . . . . 5700 1 457 . 1 1 92 92 ARG C C 13 176.0 0.1 . 1 . . . . . . . . 5700 1 458 . 1 1 92 92 ARG CA C 13 56.3 0.1 . 1 . . . . . . . . 5700 1 459 . 1 1 92 92 ARG CB C 13 31.7 0.1 . 1 . . . . . . . . 5700 1 460 . 1 1 92 92 ARG HA H 1 4.51 0.03 . 1 . . . . . . . . 5700 1 461 . 1 1 93 93 CYS N N 15 124.3 0.1 . 1 . . . . . . . . 5700 1 462 . 1 1 93 93 CYS H H 1 8.89 0.03 . 1 . . . . . . . . 5700 1 463 . 1 1 93 93 CYS C C 13 172.3 0.1 . 1 . . . . . . . . 5700 1 464 . 1 1 93 93 CYS CA C 13 55.5 0.1 . 1 . . . . . . . . 5700 1 465 . 1 1 93 93 CYS HA H 1 3.93 0.03 . 1 . . . . . . . . 5700 1 466 . 1 1 94 94 PRO C C 13 178.4 0.1 . 1 . . . . . . . . 5700 1 467 . 1 1 94 94 PRO CA C 13 65.1 0.1 . 1 . . . . . . . . 5700 1 468 . 1 1 94 94 PRO CB C 13 31.1 0.1 . 1 . . . . . . . . 5700 1 469 . 1 1 95 95 ASN N N 15 114.2 0.1 . 1 . . . . . . . . 5700 1 470 . 1 1 95 95 ASN H H 1 8.09 0.03 . 1 . . . . . . . . 5700 1 471 . 1 1 95 95 ASN C C 13 178.1 0.1 . 1 . . . . . . . . 5700 1 472 . 1 1 95 95 ASN CA C 13 55.8 0.1 . 1 . . . . . . . . 5700 1 473 . 1 1 95 95 ASN CB C 13 37.9 0.1 . 1 . . . . . . . . 5700 1 474 . 1 1 95 95 ASN HA H 1 4.34 0.03 . 1 . . . . . . . . 5700 1 475 . 1 1 96 96 HIS N N 15 119.5 0.1 . 1 . . . . . . . . 5700 1 476 . 1 1 96 96 HIS H H 1 8.98 0.03 . 1 . . . . . . . . 5700 1 477 . 1 1 96 96 HIS C C 13 177.9 0.1 . 1 . . . . . . . . 5700 1 478 . 1 1 96 96 HIS CA C 13 61.8 0.1 . 1 . . . . . . . . 5700 1 479 . 1 1 96 96 HIS CB C 13 29.9 0.1 . 1 . . . . . . . . 5700 1 480 . 1 1 96 96 HIS HA H 1 4.45 0.03 . 1 . . . . . . . . 5700 1 481 . 1 1 97 97 GLU N N 15 123.2 0.1 . 1 . . . . . . . . 5700 1 482 . 1 1 97 97 GLU H H 1 9.08 0.03 . 1 . . . . . . . . 5700 1 483 . 1 1 97 97 GLU C C 13 176.6 0.1 . 1 . . . . . . . . 5700 1 484 . 1 1 97 97 GLU CA C 13 59.0 0.1 . 1 . . . . . . . . 5700 1 485 . 1 1 97 97 GLU CB C 13 29.4 0.1 . 1 . . . . . . . . 5700 1 486 . 1 1 98 98 LEU N N 15 113.7 0.1 . 1 . . . . . . . . 5700 1 487 . 1 1 98 98 LEU H H 1 7.79 0.03 . 1 . . . . . . . . 5700 1 488 . 1 1 98 98 LEU C C 13 177.8 0.1 . 1 . . . . . . . . 5700 1 489 . 1 1 98 98 LEU CA C 13 54.5 0.1 . 1 . . . . . . . . 5700 1 490 . 1 1 98 98 LEU CB C 13 41.1 0.1 . 1 . . . . . . . . 5700 1 491 . 1 1 98 98 LEU HA H 1 4.27 0.03 . 1 . . . . . . . . 5700 1 492 . 1 1 99 99 SER N N 15 113.3 0.1 . 1 . . . . . . . . 5700 1 493 . 1 1 99 99 SER H H 1 7.02 0.03 . 1 . . . . . . . . 5700 1 494 . 1 1 99 99 SER C C 13 174.8 0.1 . 1 . . . . . . . . 5700 1 495 . 1 1 99 99 SER CA C 13 57.4 0.1 . 1 . . . . . . . . 5700 1 496 . 1 1 99 99 SER HA H 1 4.42 0.03 . 1 . . . . . . . . 5700 1 497 . 1 1 100 100 ARG C C 13 175.4 0.1 . 1 . . . . . . . . 5700 1 498 . 1 1 100 100 ARG CA C 13 62.2 0.1 . 1 . . . . . . . . 5700 1 499 . 1 1 101 101 GLU N N 15 123.8 0.1 . 1 . . . . . . . . 5700 1 500 . 1 1 101 101 GLU H H 1 8.57 0.03 . 1 . . . . . . . . 5700 1 501 . 1 1 101 101 GLU C C 13 177.4 0.1 . 1 . . . . . . . . 5700 1 502 . 1 1 101 101 GLU CA C 13 52.2 0.1 . 1 . . . . . . . . 5700 1 503 . 1 1 102 102 PHE C C 13 175.3 0.1 . 1 . . . . . . . . 5700 1 504 . 1 1 102 102 PHE CA C 13 58.2 0.1 . 1 . . . . . . . . 5700 1 505 . 1 1 102 102 PHE HA H 1 4.33 0.03 . 1 . . . . . . . . 5700 1 506 . 1 1 103 103 ASN N N 15 118.0 0.1 . 1 . . . . . . . . 5700 1 507 . 1 1 103 103 ASN H H 1 7.85 0.03 . 1 . . . . . . . . 5700 1 508 . 1 1 103 103 ASN C C 13 175.8 0.1 . 1 . . . . . . . . 5700 1 509 . 1 1 103 103 ASN CA C 13 52.8 0.1 . 1 . . . . . . . . 5700 1 510 . 1 1 103 103 ASN CB C 13 39.6 0.1 . 1 . . . . . . . . 5700 1 511 . 1 1 103 103 ASN HA H 1 5.07 0.03 . 1 . . . . . . . . 5700 1 512 . 1 1 104 104 GLU N N 15 122.2 0.1 . 1 . . . . . . . . 5700 1 513 . 1 1 104 104 GLU H H 1 8.30 0.03 . 1 . . . . . . . . 5700 1 514 . 1 1 104 104 GLU C C 13 177.6 0.1 . 1 . . . . . . . . 5700 1 515 . 1 1 104 104 GLU CA C 13 57.1 0.1 . 1 . . . . . . . . 5700 1 516 . 1 1 104 104 GLU CB C 13 29.3 0.1 . 1 . . . . . . . . 5700 1 517 . 1 1 104 104 GLU HA H 1 4.54 0.03 . 1 . . . . . . . . 5700 1 518 . 1 1 105 105 GLY N N 15 113.1 0.1 . 1 . . . . . . . . 5700 1 519 . 1 1 105 105 GLY H H 1 9.04 0.03 . 1 . . . . . . . . 5700 1 520 . 1 1 105 105 GLY C C 13 173.8 0.1 . 1 . . . . . . . . 5700 1 521 . 1 1 105 105 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . 5700 1 522 . 1 1 105 105 GLY HA2 H 1 5.10 0.03 . 1 . . . . . . . . 5700 1 523 . 1 1 105 105 GLY HA3 H 1 5.10 0.03 . 1 . . . . . . . . 5700 1 524 . 1 1 106 106 GLN N N 15 116.9 0.1 . 1 . . . . . . . . 5700 1 525 . 1 1 106 106 GLN H H 1 7.81 0.03 . 1 . . . . . . . . 5700 1 526 . 1 1 106 106 GLN C C 13 175.9 0.1 . 1 . . . . . . . . 5700 1 527 . 1 1 106 106 GLN CA C 13 53.7 0.1 . 1 . . . . . . . . 5700 1 528 . 1 1 106 106 GLN CB C 13 28.2 0.1 . 1 . . . . . . . . 5700 1 529 . 1 1 107 107 ILE N N 15 118.9 0.1 . 1 . . . . . . . . 5700 1 530 . 1 1 107 107 ILE H H 1 8.11 0.03 . 1 . . . . . . . . 5700 1 531 . 1 1 107 107 ILE C C 13 176.4 0.1 . 1 . . . . . . . . 5700 1 532 . 1 1 107 107 ILE CA C 13 61.0 0.1 . 1 . . . . . . . . 5700 1 533 . 1 1 107 107 ILE CB C 13 38.0 0.1 . 1 . . . . . . . . 5700 1 534 . 1 1 108 108 ALA N N 15 125.4 0.1 . 1 . . . . . . . . 5700 1 535 . 1 1 108 108 ALA H H 1 7.95 0.03 . 1 . . . . . . . . 5700 1 536 . 1 1 108 108 ALA C C 13 174.3 0.1 . 1 . . . . . . . . 5700 1 537 . 1 1 108 108 ALA CA C 13 49.8 0.1 . 1 . . . . . . . . 5700 1 538 . 1 1 108 108 ALA CB C 13 16.8 0.1 . 1 . . . . . . . . 5700 1 539 . 1 1 110 110 PRO C C 13 176.7 0.1 . 1 . . . . . . . . 5700 1 540 . 1 1 110 110 PRO CA C 13 62.7 0.1 . 1 . . . . . . . . 5700 1 541 . 1 1 110 110 PRO CB C 13 31.0 0.1 . 1 . . . . . . . . 5700 1 542 . 1 1 111 111 SER N N 15 117.1 0.1 . 1 . . . . . . . . 5700 1 543 . 1 1 111 111 SER H H 1 8.38 0.03 . 1 . . . . . . . . 5700 1 544 . 1 1 111 111 SER C C 13 172.7 0.1 . 1 . . . . . . . . 5700 1 545 . 1 1 111 111 SER CA C 13 55.7 0.1 . 1 . . . . . . . . 5700 1 546 . 1 1 111 111 SER HA H 1 4.74 0.03 . 1 . . . . . . . . 5700 1 547 . 1 1 115 115 ARG CA C 13 53.2 0.1 . 1 . . . . . . . . 5700 1 548 . 1 1 116 116 VAL N N 15 118.9 0.1 . 1 . . . . . . . . 5700 1 549 . 1 1 116 116 VAL H H 1 7.68 0.03 . 1 . . . . . . . . 5700 1 550 . 1 1 116 116 VAL C C 13 175.2 0.1 . 1 . . . . . . . . 5700 1 551 . 1 1 116 116 VAL CA C 13 60.1 0.1 . 1 . . . . . . . . 5700 1 552 . 1 1 116 116 VAL CB C 13 33.0 0.1 . 1 . . . . . . . . 5700 1 553 . 1 1 116 116 VAL HA H 1 4.29 0.03 . 1 . . . . . . . . 5700 1 554 . 1 1 117 117 GLU N N 15 130.2 0.1 . 1 . . . . . . . . 5700 1 555 . 1 1 117 117 GLU H H 1 8.57 0.03 . 1 . . . . . . . . 5700 1 556 . 1 1 117 117 GLU C C 13 175.9 0.1 . 1 . . . . . . . . 5700 1 557 . 1 1 117 117 GLU CA C 13 53.7 0.1 . 1 . . . . . . . . 5700 1 558 . 1 1 117 117 GLU CB C 13 30.5 0.1 . 1 . . . . . . . . 5700 1 559 . 1 1 117 117 GLU HA H 1 4.78 0.03 . 1 . . . . . . . . 5700 1 560 . 1 1 118 118 GLY N N 15 111.0 0.1 . 1 . . . . . . . . 5700 1 561 . 1 1 118 118 GLY H H 1 8.67 0.03 . 1 . . . . . . . . 5700 1 562 . 1 1 118 118 GLY C C 13 174.1 0.1 . 1 . . . . . . . . 5700 1 563 . 1 1 118 118 GLY CA C 13 45.8 0.1 . 1 . . . . . . . . 5700 1 564 . 1 1 119 119 ASN N N 15 115.9 0.1 . 1 . . . . . . . . 5700 1 565 . 1 1 119 119 ASN H H 1 7.97 0.03 . 1 . . . . . . . . 5700 1 566 . 1 1 119 119 ASN C C 13 175.7 0.1 . 1 . . . . . . . . 5700 1 567 . 1 1 119 119 ASN CA C 13 52.1 0.1 . 1 . . . . . . . . 5700 1 568 . 1 1 119 119 ASN CB C 13 39.6 0.1 . 1 . . . . . . . . 5700 1 569 . 1 1 119 119 ASN HA H 1 4.89 0.03 . 1 . . . . . . . . 5700 1 570 . 1 1 120 120 SER C C 13 174.3 0.1 . 1 . . . . . . . . 5700 1 571 . 1 1 120 120 SER CA C 13 59.5 0.1 . 1 . . . . . . . . 5700 1 572 . 1 1 120 120 SER CB C 13 62.2 0.1 . 1 . . . . . . . . 5700 1 573 . 1 1 121 121 HIS N N 15 119.1 0.1 . 1 . . . . . . . . 5700 1 574 . 1 1 121 121 HIS H H 1 8.87 0.03 . 1 . . . . . . . . 5700 1 575 . 1 1 121 121 HIS C C 13 174.2 0.1 . 1 . . . . . . . . 5700 1 576 . 1 1 121 121 HIS CA C 13 54.6 0.1 . 1 . . . . . . . . 5700 1 577 . 1 1 121 121 HIS CB C 13 28.6 0.1 . 1 . . . . . . . . 5700 1 578 . 1 1 121 121 HIS HA H 1 4.75 0.03 . 1 . . . . . . . . 5700 1 579 . 1 1 122 122 ALA N N 15 121.3 0.1 . 1 . . . . . . . . 5700 1 580 . 1 1 122 122 ALA H H 1 7.11 0.03 . 1 . . . . . . . . 5700 1 581 . 1 1 122 122 ALA C C 13 176.7 0.1 . 1 . . . . . . . . 5700 1 582 . 1 1 122 122 ALA CA C 13 52.0 0.1 . 1 . . . . . . . . 5700 1 583 . 1 1 122 122 ALA CB C 13 17.9 0.1 . 1 . . . . . . . . 5700 1 584 . 1 1 122 122 ALA HA H 1 4.70 0.03 . 1 . . . . . . . . 5700 1 585 . 1 1 123 123 GLN N N 15 121.8 0.1 . 1 . . . . . . . . 5700 1 586 . 1 1 123 123 GLN H H 1 9.08 0.03 . 1 . . . . . . . . 5700 1 587 . 1 1 123 123 GLN C C 13 173.2 0.1 . 1 . . . . . . . . 5700 1 588 . 1 1 123 123 GLN CA C 13 53.9 0.1 . 1 . . . . . . . . 5700 1 589 . 1 1 123 123 GLN CB C 13 31.1 0.1 . 1 . . . . . . . . 5700 1 590 . 1 1 123 123 GLN HA H 1 4.70 0.03 . 1 . . . . . . . . 5700 1 591 . 1 1 124 124 TYR N N 15 125.3 0.1 . 1 . . . . . . . . 5700 1 592 . 1 1 124 124 TYR H H 1 8.94 0.03 . 1 . . . . . . . . 5700 1 593 . 1 1 124 124 TYR C C 13 175.8 0.1 . 1 . . . . . . . . 5700 1 594 . 1 1 124 124 TYR CA C 13 58.1 0.1 . 1 . . . . . . . . 5700 1 595 . 1 1 124 124 TYR CB C 13 39.8 0.1 . 1 . . . . . . . . 5700 1 596 . 1 1 124 124 TYR HA H 1 4.79 0.03 . 1 . . . . . . . . 5700 1 597 . 1 1 125 125 VAL N N 15 122.0 0.1 . 1 . . . . . . . . 5700 1 598 . 1 1 125 125 VAL H H 1 9.24 0.03 . 1 . . . . . . . . 5700 1 599 . 1 1 125 125 VAL C C 13 173.9 0.1 . 1 . . . . . . . . 5700 1 600 . 1 1 125 125 VAL CA C 13 60.0 0.1 . 1 . . . . . . . . 5700 1 601 . 1 1 125 125 VAL CB C 13 34.5 0.1 . 1 . . . . . . . . 5700 1 602 . 1 1 125 125 VAL HA H 1 4.72 0.03 . 1 . . . . . . . . 5700 1 603 . 1 1 126 126 GLU N N 15 121.6 0.1 . 1 . . . . . . . . 5700 1 604 . 1 1 126 126 GLU H H 1 8.30 0.03 . 1 . . . . . . . . 5700 1 605 . 1 1 126 126 GLU C C 13 175.4 0.1 . 1 . . . . . . . . 5700 1 606 . 1 1 126 126 GLU CA C 13 53.8 0.1 . 1 . . . . . . . . 5700 1 607 . 1 1 126 126 GLU CB C 13 32.0 0.1 . 1 . . . . . . . . 5700 1 608 . 1 1 126 126 GLU HA H 1 5.07 0.03 . 1 . . . . . . . . 5700 1 609 . 1 1 127 127 ASP N N 15 128.8 0.1 . 1 . . . . . . . . 5700 1 610 . 1 1 127 127 ASP H H 1 8.57 0.03 . 1 . . . . . . . . 5700 1 611 . 1 1 127 127 ASP C C 13 176.0 0.1 . 1 . . . . . . . . 5700 1 612 . 1 1 127 127 ASP CA C 13 51.8 0.1 . 1 . . . . . . . . 5700 1 613 . 1 1 127 127 ASP CB C 13 42.6 0.1 . 1 . . . . . . . . 5700 1 614 . 1 1 127 127 ASP HA H 1 4.84 0.03 . 1 . . . . . . . . 5700 1 615 . 1 1 128 128 PRO C C 13 176.9 0.1 . 1 . . . . . . . . 5700 1 616 . 1 1 128 128 PRO CA C 13 63.8 0.1 . 1 . . . . . . . . 5700 1 617 . 1 1 128 128 PRO CB C 13 31.3 0.1 . 1 . . . . . . . . 5700 1 618 . 1 1 129 129 ILE N N 15 118.2 0.1 . 1 . . . . . . . . 5700 1 619 . 1 1 129 129 ILE H H 1 8.48 0.03 . 1 . . . . . . . . 5700 1 620 . 1 1 129 129 ILE C C 13 178.0 0.1 . 1 . . . . . . . . 5700 1 621 . 1 1 129 129 ILE CA C 13 62.0 0.1 . 1 . . . . . . . . 5700 1 622 . 1 1 129 129 ILE HA H 1 4.14 0.03 . 1 . . . . . . . . 5700 1 623 . 1 1 130 130 THR N N 15 108.2 0.1 . 1 . . . . . . . . 5700 1 624 . 1 1 130 130 THR H H 1 8.39 0.03 . 1 . . . . . . . . 5700 1 625 . 1 1 130 130 THR C C 13 176.6 0.1 . 1 . . . . . . . . 5700 1 626 . 1 1 130 130 THR CA C 13 61.7 0.1 . 1 . . . . . . . . 5700 1 627 . 1 1 130 130 THR CB C 13 70.6 0.1 . 1 . . . . . . . . 5700 1 628 . 1 1 130 130 THR HA H 1 4.33 0.03 . 1 . . . . . . . . 5700 1 629 . 1 1 131 131 GLY N N 15 109.6 0.1 . 1 . . . . . . . . 5700 1 630 . 1 1 131 131 GLY H H 1 8.18 0.03 . 1 . . . . . . . . 5700 1 631 . 1 1 131 131 GLY C C 13 174.1 0.1 . 1 . . . . . . . . 5700 1 632 . 1 1 131 131 GLY CA C 13 45.0 0.1 . 1 . . . . . . . . 5700 1 633 . 1 1 131 131 GLY HA2 H 1 4.22 0.03 . 1 . . . . . . . . 5700 1 634 . 1 1 131 131 GLY HA3 H 1 4.22 0.03 . 1 . . . . . . . . 5700 1 635 . 1 1 132 132 ARG N N 15 116.9 0.1 . 1 . . . . . . . . 5700 1 636 . 1 1 132 132 ARG H H 1 7.90 0.03 . 1 . . . . . . . . 5700 1 637 . 1 1 132 132 ARG C C 13 176.4 0.1 . 1 . . . . . . . . 5700 1 638 . 1 1 132 132 ARG CA C 13 57.7 0.1 . 1 . . . . . . . . 5700 1 639 . 1 1 132 132 ARG CB C 13 29.5 0.1 . 1 . . . . . . . . 5700 1 640 . 1 1 132 132 ARG HA H 1 3.99 0.03 . 1 . . . . . . . . 5700 1 641 . 1 1 133 133 GLN N N 15 124.7 0.1 . 1 . . . . . . . . 5700 1 642 . 1 1 133 133 GLN H H 1 7.98 0.03 . 1 . . . . . . . . 5700 1 643 . 1 1 133 133 GLN C C 13 175.1 0.1 . 1 . . . . . . . . 5700 1 644 . 1 1 133 133 GLN CA C 13 53.7 0.1 . 1 . . . . . . . . 5700 1 645 . 1 1 133 133 GLN HA H 1 4.70 0.03 . 1 . . . . . . . . 5700 1 646 . 1 1 134 134 SER N N 15 114.0 0.1 . 1 . . . . . . . . 5700 1 647 . 1 1 134 134 SER H H 1 9.09 0.03 . 1 . . . . . . . . 5700 1 648 . 1 1 134 134 SER C C 13 174.6 0.1 . 1 . . . . . . . . 5700 1 649 . 1 1 134 134 SER CA C 13 57.7 0.1 . 1 . . . . . . . . 5700 1 650 . 1 1 134 134 SER HA H 1 5.07 0.03 . 1 . . . . . . . . 5700 1 651 . 1 1 135 135 VAL N N 15 112.8 0.1 . 1 . . . . . . . . 5700 1 652 . 1 1 135 135 VAL H H 1 8.02 0.03 . 1 . . . . . . . . 5700 1 653 . 1 1 135 135 VAL C C 13 173.8 0.1 . 1 . . . . . . . . 5700 1 654 . 1 1 135 135 VAL CA C 13 57.4 0.1 . 1 . . . . . . . . 5700 1 655 . 1 1 135 135 VAL HA H 1 5.46 0.03 . 1 . . . . . . . . 5700 1 656 . 1 1 136 136 LEU N N 15 128.7 0.1 . 1 . . . . . . . . 5700 1 657 . 1 1 136 136 LEU H H 1 9.21 0.03 . 1 . . . . . . . . 5700 1 658 . 1 1 136 136 LEU C C 13 176.2 0.1 . 1 . . . . . . . . 5700 1 659 . 1 1 136 136 LEU CA C 13 52.8 0.1 . 1 . . . . . . . . 5700 1 660 . 1 1 136 136 LEU CB C 13 45.5 0.1 . 1 . . . . . . . . 5700 1 661 . 1 1 136 136 LEU HA H 1 5.65 0.03 . 1 . . . . . . . . 5700 1 662 . 1 1 137 137 VAL N N 15 112.5 0.1 . 1 . . . . . . . . 5700 1 663 . 1 1 137 137 VAL H H 1 8.54 0.03 . 1 . . . . . . . . 5700 1 664 . 1 1 137 137 VAL C C 13 172.7 0.1 . 1 . . . . . . . . 5700 1 665 . 1 1 137 137 VAL CA C 13 57.3 0.1 . 1 . . . . . . . . 5700 1 666 . 1 1 137 137 VAL HA H 1 4.73 0.03 . 1 . . . . . . . . 5700 1 667 . 1 1 138 138 PRO C C 13 177.5 0.1 . 1 . . . . . . . . 5700 1 668 . 1 1 138 138 PRO CA C 13 62.3 0.1 . 1 . . . . . . . . 5700 1 669 . 1 1 138 138 PRO CB C 13 30.8 0.1 . 1 . . . . . . . . 5700 1 670 . 1 1 139 139 TYR N N 15 124.5 0.1 . 1 . . . . . . . . 5700 1 671 . 1 1 139 139 TYR H H 1 8.85 0.03 . 1 . . . . . . . . 5700 1 672 . 1 1 139 139 TYR C C 13 174.0 0.1 . 1 . . . . . . . . 5700 1 673 . 1 1 139 139 TYR CA C 13 59.6 0.1 . 1 . . . . . . . . 5700 1 674 . 1 1 139 139 TYR CB C 13 37.1 0.1 . 1 . . . . . . . . 5700 1 675 . 1 1 139 139 TYR HA H 1 3.91 0.03 . 1 . . . . . . . . 5700 1 676 . 1 1 140 140 GLU N N 15 129.7 0.1 . 1 . . . . . . . . 5700 1 677 . 1 1 140 140 GLU H H 1 6.88 0.03 . 1 . . . . . . . . 5700 1 678 . 1 1 140 140 GLU C C 13 170.6 0.1 . 1 . . . . . . . . 5700 1 679 . 1 1 140 140 GLU CA C 13 51.6 0.1 . 1 . . . . . . . . 5700 1 680 . 1 1 140 140 GLU CB C 13 30.6 0.1 . 1 . . . . . . . . 5700 1 681 . 1 1 140 140 GLU HA H 1 4.49 0.03 . 1 . . . . . . . . 5700 1 682 . 1 1 142 142 PRO C C 13 177.2 0.1 . 1 . . . . . . . . 5700 1 683 . 1 1 142 142 PRO CA C 13 62.2 0.1 . 1 . . . . . . . . 5700 1 684 . 1 1 142 142 PRO CB C 13 31.5 0.1 . 1 . . . . . . . . 5700 1 685 . 1 1 143 143 GLN N N 15 121.2 0.1 . 1 . . . . . . . . 5700 1 686 . 1 1 143 143 GLN H H 1 8.30 0.03 . 1 . . . . . . . . 5700 1 687 . 1 1 143 143 GLN C C 13 176.2 0.1 . 1 . . . . . . . . 5700 1 688 . 1 1 143 143 GLN CA C 13 55.2 0.1 . 1 . . . . . . . . 5700 1 689 . 1 1 143 143 GLN CB C 13 28.3 0.1 . 1 . . . . . . . . 5700 1 690 . 1 1 143 143 GLN HA H 1 4.18 0.03 . 1 . . . . . . . . 5700 1 691 . 1 1 144 144 VAL N N 15 122.2 0.1 . 1 . . . . . . . . 5700 1 692 . 1 1 144 144 VAL H H 1 8.36 0.03 . 1 . . . . . . . . 5700 1 693 . 1 1 144 144 VAL C C 13 177.0 0.1 . 1 . . . . . . . . 5700 1 694 . 1 1 144 144 VAL CA C 13 63.8 0.1 . 1 . . . . . . . . 5700 1 695 . 1 1 144 144 VAL CB C 13 30.8 0.1 . 1 . . . . . . . . 5700 1 696 . 1 1 144 144 VAL HA H 1 3.86 0.03 . 1 . . . . . . . . 5700 1 697 . 1 1 145 145 GLY N N 15 114.1 0.1 . 1 . . . . . . . . 5700 1 698 . 1 1 145 145 GLY H H 1 8.85 0.03 . 1 . . . . . . . . 5700 1 699 . 1 1 145 145 GLY C C 13 174.0 0.1 . 1 . . . . . . . . 5700 1 700 . 1 1 145 145 GLY CA C 13 44.3 0.1 . 1 . . . . . . . . 5700 1 701 . 1 1 145 145 GLY HA2 H 1 3.76 0.03 . 1 . . . . . . . . 5700 1 702 . 1 1 145 145 GLY HA3 H 1 3.76 0.03 . 1 . . . . . . . . 5700 1 703 . 1 1 146 146 THR N N 15 113.0 0.1 . 1 . . . . . . . . 5700 1 704 . 1 1 146 146 THR H H 1 8.15 0.03 . 1 . . . . . . . . 5700 1 705 . 1 1 146 146 THR C C 13 173.2 0.1 . 1 . . . . . . . . 5700 1 706 . 1 1 146 146 THR CA C 13 59.9 0.1 . 1 . . . . . . . . 5700 1 707 . 1 1 146 146 THR CB C 13 70.8 0.1 . 1 . . . . . . . . 5700 1 708 . 1 1 147 147 GLU N N 15 118.4 0.1 . 1 . . . . . . . . 5700 1 709 . 1 1 147 147 GLU H H 1 8.39 0.03 . 1 . . . . . . . . 5700 1 710 . 1 1 147 147 GLU C C 13 175.4 0.1 . 1 . . . . . . . . 5700 1 711 . 1 1 147 147 GLU CA C 13 56.0 0.1 . 1 . . . . . . . . 5700 1 712 . 1 1 147 147 GLU CB C 13 30.4 0.1 . 1 . . . . . . . . 5700 1 713 . 1 1 147 147 GLU HA H 1 4.28 0.03 . 1 . . . . . . . . 5700 1 714 . 1 1 148 148 PHE N N 15 114.7 0.1 . 1 . . . . . . . . 5700 1 715 . 1 1 148 148 PHE H H 1 7.47 0.03 . 1 . . . . . . . . 5700 1 716 . 1 1 148 148 PHE C C 13 175.4 0.1 . 1 . . . . . . . . 5700 1 717 . 1 1 148 148 PHE CA C 13 55.4 0.1 . 1 . . . . . . . . 5700 1 718 . 1 1 148 148 PHE CB C 13 41.9 0.1 . 1 . . . . . . . . 5700 1 719 . 1 1 148 148 PHE HA H 1 5.28 0.03 . 1 . . . . . . . . 5700 1 720 . 1 1 149 149 THR N N 15 121.3 0.1 . 1 . . . . . . . . 5700 1 721 . 1 1 149 149 THR H H 1 9.45 0.03 . 1 . . . . . . . . 5700 1 722 . 1 1 149 149 THR C C 13 173.4 0.1 . 1 . . . . . . . . 5700 1 723 . 1 1 149 149 THR CA C 13 62.6 0.1 . 1 . . . . . . . . 5700 1 724 . 1 1 149 149 THR CB C 13 69.8 0.1 . 1 . . . . . . . . 5700 1 725 . 1 1 149 149 THR HA H 1 4.35 0.03 . 1 . . . . . . . . 5700 1 726 . 1 1 150 150 THR N N 15 124.5 0.1 . 1 . . . . . . . . 5700 1 727 . 1 1 150 150 THR H H 1 8.91 0.03 . 1 . . . . . . . . 5700 1 728 . 1 1 150 150 THR C C 13 174.1 0.1 . 1 . . . . . . . . 5700 1 729 . 1 1 150 150 THR CA C 13 61.9 0.1 . 1 . . . . . . . . 5700 1 730 . 1 1 150 150 THR HA H 1 5.10 0.03 . 1 . . . . . . . . 5700 1 731 . 1 1 151 151 VAL N N 15 130.2 0.1 . 1 . . . . . . . . 5700 1 732 . 1 1 151 151 VAL H H 1 8.90 0.03 . 1 . . . . . . . . 5700 1 733 . 1 1 151 151 VAL C C 13 172.4 0.1 . 1 . . . . . . . . 5700 1 734 . 1 1 151 151 VAL CA C 13 61.1 0.1 . 1 . . . . . . . . 5700 1 735 . 1 1 151 151 VAL CB C 13 33.3 0.1 . 1 . . . . . . . . 5700 1 736 . 1 1 151 151 VAL HA H 1 3.83 0.03 . 1 . . . . . . . . 5700 1 737 . 1 1 152 152 LEU N N 15 124.7 0.1 . 1 . . . . . . . . 5700 1 738 . 1 1 152 152 LEU H H 1 8.25 0.03 . 1 . . . . . . . . 5700 1 739 . 1 1 152 152 LEU C C 13 174.7 0.1 . 1 . . . . . . . . 5700 1 740 . 1 1 152 152 LEU CA C 13 52.4 0.1 . 1 . . . . . . . . 5700 1 741 . 1 1 152 152 LEU CB C 13 40.7 0.1 . 1 . . . . . . . . 5700 1 742 . 1 1 152 152 LEU HA H 1 4.50 0.03 . 1 . . . . . . . . 5700 1 743 . 1 1 153 153 TYR C C 13 176.1 0.1 . 1 . . . . . . . . 5700 1 744 . 1 1 153 153 TYR CA C 13 56.3 0.1 . 1 . . . . . . . . 5700 1 745 . 1 1 154 154 ASN N N 15 116.9 0.1 . 1 . . . . . . . . 5700 1 746 . 1 1 154 154 ASN H H 1 8.89 0.03 . 1 . . . . . . . . 5700 1 747 . 1 1 154 154 ASN C C 13 171.9 0.1 . 1 . . . . . . . . 5700 1 748 . 1 1 154 154 ASN CA C 13 50.9 0.1 . 1 . . . . . . . . 5700 1 749 . 1 1 154 154 ASN CB C 13 43.5 0.1 . 1 . . . . . . . . 5700 1 750 . 1 1 155 155 PHE N N 15 121.6 0.1 . 1 . . . . . . . . 5700 1 751 . 1 1 155 155 PHE H H 1 9.94 0.03 . 1 . . . . . . . . 5700 1 752 . 1 1 155 155 PHE C C 13 178.5 0.1 . 1 . . . . . . . . 5700 1 753 . 1 1 155 155 PHE CA C 13 56.7 0.1 . 1 . . . . . . . . 5700 1 754 . 1 1 155 155 PHE CB C 13 43.6 0.1 . 1 . . . . . . . . 5700 1 755 . 1 1 155 155 PHE HA H 1 5.22 0.03 . 1 . . . . . . . . 5700 1 756 . 1 1 156 156 MET N N 15 116.4 0.1 . 1 . . . . . . . . 5700 1 757 . 1 1 156 156 MET H H 1 8.72 0.03 . 1 . . . . . . . . 5700 1 758 . 1 1 156 156 MET C C 13 174.7 0.1 . 1 . . . . . . . . 5700 1 759 . 1 1 156 156 MET CA C 13 54.1 0.1 . 1 . . . . . . . . 5700 1 760 . 1 1 157 157 CYS N N 15 120.1 0.1 . 1 . . . . . . . . 5700 1 761 . 1 1 157 157 CYS H H 1 7.35 0.03 . 1 . . . . . . . . 5700 1 762 . 1 1 157 157 CYS C C 13 173.2 0.1 . 1 . . . . . . . . 5700 1 763 . 1 1 157 157 CYS CA C 13 60.4 0.1 . 1 . . . . . . . . 5700 1 764 . 1 1 157 157 CYS HA H 1 4.03 0.03 . 1 . . . . . . . . 5700 1 765 . 1 1 158 158 ASN N N 15 118.1 0.1 . 1 . . . . . . . . 5700 1 766 . 1 1 158 158 ASN H H 1 8.30 0.03 . 1 . . . . . . . . 5700 1 767 . 1 1 158 158 ASN C C 13 177.2 0.1 . 1 . . . . . . . . 5700 1 768 . 1 1 158 158 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 5700 1 769 . 1 1 158 158 ASN CB C 13 40.0 0.1 . 1 . . . . . . . . 5700 1 770 . 1 1 159 159 SER N N 15 119.6 0.1 . 1 . . . . . . . . 5700 1 771 . 1 1 159 159 SER H H 1 9.67 0.03 . 1 . . . . . . . . 5700 1 772 . 1 1 159 159 SER C C 13 174.2 0.1 . 1 . . . . . . . . 5700 1 773 . 1 1 159 159 SER CA C 13 63.3 0.1 . 1 . . . . . . . . 5700 1 774 . 1 1 159 159 SER HA H 1 5.62 0.03 . 1 . . . . . . . . 5700 1 775 . 1 1 160 160 SER N N 15 109.1 0.1 . 1 . . . . . . . . 5700 1 776 . 1 1 160 160 SER H H 1 8.15 0.03 . 1 . . . . . . . . 5700 1 777 . 1 1 160 160 SER C C 13 175.4 0.1 . 1 . . . . . . . . 5700 1 778 . 1 1 160 160 SER CA C 13 57.8 0.1 . 1 . . . . . . . . 5700 1 779 . 1 1 160 160 SER CB C 13 63.2 0.1 . 1 . . . . . . . . 5700 1 780 . 1 1 160 160 SER HA H 1 4.22 0.03 . 1 . . . . . . . . 5700 1 781 . 1 1 161 161 CYS N N 15 122.4 0.1 . 1 . . . . . . . . 5700 1 782 . 1 1 161 161 CYS H H 1 7.90 0.03 . 1 . . . . . . . . 5700 1 783 . 1 1 161 161 CYS C C 13 178.4 0.1 . 1 . . . . . . . . 5700 1 784 . 1 1 161 161 CYS CA C 13 64.0 0.1 . 1 . . . . . . . . 5700 1 785 . 1 1 161 161 CYS HA H 1 4.35 0.03 . 1 . . . . . . . . 5700 1 786 . 1 1 162 162 VAL N N 15 129.6 0.1 . 1 . . . . . . . . 5700 1 787 . 1 1 162 162 VAL H H 1 8.76 0.03 . 1 . . . . . . . . 5700 1 788 . 1 1 162 162 VAL C C 13 177.2 0.1 . 1 . . . . . . . . 5700 1 789 . 1 1 162 162 VAL CA C 13 63.9 0.1 . 1 . . . . . . . . 5700 1 790 . 1 1 162 162 VAL CB C 13 38.0 0.1 . 1 . . . . . . . . 5700 1 791 . 1 1 162 162 VAL HA H 1 4.79 0.03 . 1 . . . . . . . . 5700 1 792 . 1 1 163 163 GLY N N 15 110.3 0.1 . 1 . . . . . . . . 5700 1 793 . 1 1 163 163 GLY H H 1 8.77 0.03 . 1 . . . . . . . . 5700 1 794 . 1 1 163 163 GLY C C 13 173.4 0.1 . 1 . . . . . . . . 5700 1 795 . 1 1 163 163 GLY CA C 13 44.4 0.1 . 1 . . . . . . . . 5700 1 796 . 1 1 164 164 GLY N N 15 108.1 0.1 . 1 . . . . . . . . 5700 1 797 . 1 1 164 164 GLY H H 1 7.35 0.03 . 1 . . . . . . . . 5700 1 798 . 1 1 164 164 GLY C C 13 174.5 0.1 . 1 . . . . . . . . 5700 1 799 . 1 1 164 164 GLY CA C 13 43.7 0.1 . 1 . . . . . . . . 5700 1 800 . 1 1 164 164 GLY HA2 H 1 4.62 0.03 . 1 . . . . . . . . 5700 1 801 . 1 1 164 164 GLY HA3 H 1 4.62 0.03 . 1 . . . . . . . . 5700 1 802 . 1 1 165 165 MET C C 13 179.2 0.1 . 1 . . . . . . . . 5700 1 803 . 1 1 165 165 MET CA C 13 59.1 0.1 . 1 . . . . . . . . 5700 1 804 . 1 1 165 165 MET CB C 13 33.6 0.1 . 1 . . . . . . . . 5700 1 805 . 1 1 166 166 ASN N N 15 117.2 0.1 . 1 . . . . . . . . 5700 1 806 . 1 1 166 166 ASN H H 1 8.63 0.03 . 1 . . . . . . . . 5700 1 807 . 1 1 166 166 ASN C C 13 173.6 0.1 . 1 . . . . . . . . 5700 1 808 . 1 1 166 166 ASN CA C 13 54.2 0.1 . 1 . . . . . . . . 5700 1 809 . 1 1 166 166 ASN CB C 13 36.5 0.1 . 1 . . . . . . . . 5700 1 810 . 1 1 166 166 ASN HA H 1 4.07 0.03 . 1 . . . . . . . . 5700 1 811 . 1 1 167 167 ARG N N 15 107.1 0.1 . 1 . . . . . . . . 5700 1 812 . 1 1 167 167 ARG H H 1 9.26 0.03 . 1 . . . . . . . . 5700 1 813 . 1 1 167 167 ARG C C 13 176.0 0.1 . 1 . . . . . . . . 5700 1 814 . 1 1 167 167 ARG CA C 13 57.5 0.1 . 1 . . . . . . . . 5700 1 815 . 1 1 167 167 ARG CB C 13 26.4 0.1 . 1 . . . . . . . . 5700 1 816 . 1 1 168 168 ARG N N 15 123.6 0.1 . 1 . . . . . . . . 5700 1 817 . 1 1 168 168 ARG H H 1 7.97 0.03 . 1 . . . . . . . . 5700 1 818 . 1 1 168 168 ARG C C 13 176.4 0.1 . 1 . . . . . . . . 5700 1 819 . 1 1 168 168 ARG CA C 13 53.7 0.1 . 1 . . . . . . . . 5700 1 820 . 1 1 168 168 ARG CB C 13 30.0 0.1 . 1 . . . . . . . . 5700 1 821 . 1 1 168 168 ARG HA H 1 4.66 0.03 . 1 . . . . . . . . 5700 1 822 . 1 1 169 169 PRO C C 13 177.3 0.1 . 1 . . . . . . . . 5700 1 823 . 1 1 169 169 PRO CA C 13 62.1 0.1 . 1 . . . . . . . . 5700 1 824 . 1 1 169 169 PRO CB C 13 32.8 0.1 . 1 . . . . . . . . 5700 1 825 . 1 1 170 170 ILE N N 15 112.6 0.1 . 1 . . . . . . . . 5700 1 826 . 1 1 170 170 ILE H H 1 7.78 0.03 . 1 . . . . . . . . 5700 1 827 . 1 1 170 170 ILE C C 13 174.2 0.1 . 1 . . . . . . . . 5700 1 828 . 1 1 170 170 ILE CA C 13 58.7 0.1 . 1 . . . . . . . . 5700 1 829 . 1 1 170 170 ILE CB C 13 42.3 0.1 . 1 . . . . . . . . 5700 1 830 . 1 1 171 171 LEU N N 15 118.2 0.1 . 1 . . . . . . . . 5700 1 831 . 1 1 171 171 LEU H H 1 9.45 0.03 . 1 . . . . . . . . 5700 1 832 . 1 1 171 171 LEU C C 13 174.9 0.1 . 1 . . . . . . . . 5700 1 833 . 1 1 171 171 LEU CA C 13 52.0 0.1 . 1 . . . . . . . . 5700 1 834 . 1 1 171 171 LEU CB C 13 43.7 0.1 . 1 . . . . . . . . 5700 1 835 . 1 1 171 171 LEU HA H 1 4.83 0.03 . 1 . . . . . . . . 5700 1 836 . 1 1 172 172 ILE C C 13 173.9 0.1 . 1 . . . . . . . . 5700 1 837 . 1 1 172 172 ILE CA C 13 57.5 0.1 . 1 . . . . . . . . 5700 1 838 . 1 1 173 173 ILE N N 15 125.0 0.1 . 1 . . . . . . . . 5700 1 839 . 1 1 173 173 ILE H H 1 8.80 0.03 . 1 . . . . . . . . 5700 1 840 . 1 1 173 173 ILE C C 13 176.5 0.1 . 1 . . . . . . . . 5700 1 841 . 1 1 173 173 ILE CA C 13 59.8 0.1 . 1 . . . . . . . . 5700 1 842 . 1 1 173 173 ILE HA H 1 4.37 0.03 . 1 . . . . . . . . 5700 1 843 . 1 1 174 174 VAL N N 15 132.0 0.1 . 1 . . . . . . . . 5700 1 844 . 1 1 174 174 VAL H H 1 9.46 0.03 . 1 . . . . . . . . 5700 1 845 . 1 1 174 174 VAL C C 13 176.1 0.1 . 1 . . . . . . . . 5700 1 846 . 1 1 174 174 VAL CA C 13 59.9 0.1 . 1 . . . . . . . . 5700 1 847 . 1 1 174 174 VAL CB C 13 32.3 0.1 . 1 . . . . . . . . 5700 1 848 . 1 1 174 174 VAL HA H 1 5.55 0.03 . 1 . . . . . . . . 5700 1 849 . 1 1 175 175 THR N N 15 115.6 0.1 . 1 . . . . . . . . 5700 1 850 . 1 1 175 175 THR H H 1 9.70 0.03 . 1 . . . . . . . . 5700 1 851 . 1 1 175 175 THR C C 13 172.3 0.1 . 1 . . . . . . . . 5700 1 852 . 1 1 175 175 THR CA C 13 57.3 0.1 . 1 . . . . . . . . 5700 1 853 . 1 1 175 175 THR HA H 1 5.36 0.03 . 1 . . . . . . . . 5700 1 854 . 1 1 176 176 LEU N N 15 123.8 0.1 . 1 . . . . . . . . 5700 1 855 . 1 1 176 176 LEU H H 1 7.71 0.03 . 1 . . . . . . . . 5700 1 856 . 1 1 176 176 LEU C C 13 175.7 0.1 . 1 . . . . . . . . 5700 1 857 . 1 1 176 176 LEU CA C 13 51.9 0.1 . 1 . . . . . . . . 5700 1 858 . 1 1 176 176 LEU CB C 13 41.3 0.1 . 1 . . . . . . . . 5700 1 859 . 1 1 176 176 LEU HA H 1 4.92 0.03 . 1 . . . . . . . . 5700 1 860 . 1 1 177 177 GLU N N 15 125.6 0.1 . 1 . . . . . . . . 5700 1 861 . 1 1 177 177 GLU H H 1 9.51 0.03 . 1 . . . . . . . . 5700 1 862 . 1 1 177 177 GLU C C 13 176.8 0.1 . 1 . . . . . . . . 5700 1 863 . 1 1 177 177 GLU CA C 13 52.7 0.1 . 1 . . . . . . . . 5700 1 864 . 1 1 177 177 GLU CB C 13 33.5 0.1 . 1 . . . . . . . . 5700 1 865 . 1 1 177 177 GLU HA H 1 5.64 0.03 . 1 . . . . . . . . 5700 1 866 . 1 1 178 178 THR N N 15 108.4 0.1 . 1 . . . . . . . . 5700 1 867 . 1 1 178 178 THR H H 1 8.78 0.03 . 1 . . . . . . . . 5700 1 868 . 1 1 178 178 THR C C 13 176.8 0.1 . 1 . . . . . . . . 5700 1 869 . 1 1 178 178 THR CA C 13 60.7 0.1 . 1 . . . . . . . . 5700 1 870 . 1 1 178 178 THR CB C 13 71.2 0.1 . 1 . . . . . . . . 5700 1 871 . 1 1 178 178 THR HA H 1 4.46 0.03 . 1 . . . . . . . . 5700 1 872 . 1 1 179 179 ARG N N 15 121.1 0.1 . 1 . . . . . . . . 5700 1 873 . 1 1 179 179 ARG H H 1 9.31 0.03 . 1 . . . . . . . . 5700 1 874 . 1 1 179 179 ARG C C 13 176.2 0.1 . 1 . . . . . . . . 5700 1 875 . 1 1 179 179 ARG CA C 13 58.0 0.1 . 1 . . . . . . . . 5700 1 876 . 1 1 179 179 ARG CB C 13 28.9 0.1 . 1 . . . . . . . . 5700 1 877 . 1 1 180 180 ASP N N 15 112.8 0.1 . 1 . . . . . . . . 5700 1 878 . 1 1 180 180 ASP H H 1 7.81 0.03 . 1 . . . . . . . . 5700 1 879 . 1 1 180 180 ASP C C 13 176.2 0.1 . 1 . . . . . . . . 5700 1 880 . 1 1 180 180 ASP CA C 13 52.5 0.1 . 1 . . . . . . . . 5700 1 881 . 1 1 180 180 ASP CB C 13 40.0 0.1 . 1 . . . . . . . . 5700 1 882 . 1 1 180 180 ASP HA H 1 4.74 0.03 . 1 . . . . . . . . 5700 1 883 . 1 1 181 181 GLY N N 15 107.4 0.1 . 1 . . . . . . . . 5700 1 884 . 1 1 181 181 GLY H H 1 7.71 0.03 . 1 . . . . . . . . 5700 1 885 . 1 1 181 181 GLY C C 13 174.5 0.1 . 1 . . . . . . . . 5700 1 886 . 1 1 181 181 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5700 1 887 . 1 1 181 181 GLY HA2 H 1 4.17 0.03 . 1 . . . . . . . . 5700 1 888 . 1 1 181 181 GLY HA3 H 1 4.17 0.03 . 1 . . . . . . . . 5700 1 889 . 1 1 182 182 GLN N N 15 119.8 0.1 . 1 . . . . . . . . 5700 1 890 . 1 1 182 182 GLN H H 1 7.86 0.03 . 1 . . . . . . . . 5700 1 891 . 1 1 182 182 GLN C C 13 176.3 0.1 . 1 . . . . . . . . 5700 1 892 . 1 1 182 182 GLN CA C 13 54.9 0.1 . 1 . . . . . . . . 5700 1 893 . 1 1 182 182 GLN CB C 13 27.6 0.1 . 1 . . . . . . . . 5700 1 894 . 1 1 182 182 GLN HA H 1 4.34 0.03 . 1 . . . . . . . . 5700 1 895 . 1 1 183 183 VAL N N 15 125.6 0.1 . 1 . . . . . . . . 5700 1 896 . 1 1 183 183 VAL H H 1 8.93 0.03 . 1 . . . . . . . . 5700 1 897 . 1 1 183 183 VAL C C 13 175.7 0.1 . 1 . . . . . . . . 5700 1 898 . 1 1 183 183 VAL CA C 13 64.3 0.1 . 1 . . . . . . . . 5700 1 899 . 1 1 183 183 VAL HA H 1 4.74 0.03 . 1 . . . . . . . . 5700 1 900 . 1 1 184 184 LEU N N 15 128.1 0.1 . 1 . . . . . . . . 5700 1 901 . 1 1 184 184 LEU H H 1 9.69 0.03 . 1 . . . . . . . . 5700 1 902 . 1 1 184 184 LEU C C 13 176.7 0.1 . 1 . . . . . . . . 5700 1 903 . 1 1 184 184 LEU CA C 13 54.0 0.1 . 1 . . . . . . . . 5700 1 904 . 1 1 185 185 GLY N N 15 106.3 0.1 . 1 . . . . . . . . 5700 1 905 . 1 1 185 185 GLY H H 1 7.90 0.03 . 1 . . . . . . . . 5700 1 906 . 1 1 185 185 GLY C C 13 171.2 0.1 . 1 . . . . . . . . 5700 1 907 . 1 1 185 185 GLY CA C 13 44.8 0.1 . 1 . . . . . . . . 5700 1 908 . 1 1 185 185 GLY HA2 H 1 4.62 0.03 . 1 . . . . . . . . 5700 1 909 . 1 1 185 185 GLY HA3 H 1 4.62 0.03 . 1 . . . . . . . . 5700 1 910 . 1 1 186 186 ARG N N 15 125.5 0.1 . 1 . . . . . . . . 5700 1 911 . 1 1 186 186 ARG H H 1 9.91 0.03 . 1 . . . . . . . . 5700 1 912 . 1 1 186 186 ARG C C 13 174.5 0.1 . 1 . . . . . . . . 5700 1 913 . 1 1 186 186 ARG CA C 13 55.7 0.1 . 1 . . . . . . . . 5700 1 914 . 1 1 186 186 ARG CB C 13 34.1 0.1 . 1 . . . . . . . . 5700 1 915 . 1 1 186 186 ARG HA H 1 5.59 0.03 . 1 . . . . . . . . 5700 1 916 . 1 1 187 187 ARG N N 15 127.0 0.1 . 1 . . . . . . . . 5700 1 917 . 1 1 187 187 ARG H H 1 9.82 0.03 . 1 . . . . . . . . 5700 1 918 . 1 1 187 187 ARG C C 13 174.3 0.1 . 1 . . . . . . . . 5700 1 919 . 1 1 187 187 ARG CA C 13 52.9 0.1 . 1 . . . . . . . . 5700 1 920 . 1 1 187 187 ARG CB C 13 34.3 0.1 . 1 . . . . . . . . 5700 1 921 . 1 1 187 187 ARG HA H 1 5.11 0.03 . 1 . . . . . . . . 5700 1 922 . 1 1 188 188 CYS N N 15 117.7 0.1 . 1 . . . . . . . . 5700 1 923 . 1 1 188 188 CYS H H 1 8.58 0.03 . 1 . . . . . . . . 5700 1 924 . 1 1 188 188 CYS C C 13 174.1 0.1 . 1 . . . . . . . . 5700 1 925 . 1 1 188 188 CYS CA C 13 55.2 0.1 . 1 . . . . . . . . 5700 1 926 . 1 1 188 188 CYS CB C 13 30.2 0.1 . 1 . . . . . . . . 5700 1 927 . 1 1 188 188 CYS HA H 1 5.76 0.03 . 1 . . . . . . . . 5700 1 928 . 1 1 189 189 PHE N N 15 119.0 0.1 . 1 . . . . . . . . 5700 1 929 . 1 1 189 189 PHE H H 1 8.11 0.03 . 1 . . . . . . . . 5700 1 930 . 1 1 189 189 PHE C C 13 172.5 0.1 . 1 . . . . . . . . 5700 1 931 . 1 1 189 189 PHE CA C 13 55.3 0.1 . 1 . . . . . . . . 5700 1 932 . 1 1 189 189 PHE CB C 13 39.7 0.1 . 1 . . . . . . . . 5700 1 933 . 1 1 189 189 PHE HA H 1 5.10 0.03 . 1 . . . . . . . . 5700 1 934 . 1 1 190 190 GLU N N 15 122.6 0.1 . 1 . . . . . . . . 5700 1 935 . 1 1 190 190 GLU H H 1 8.77 0.03 . 1 . . . . . . . . 5700 1 936 . 1 1 190 190 GLU C C 13 174.4 0.1 . 1 . . . . . . . . 5700 1 937 . 1 1 190 190 GLU CA C 13 55.4 0.1 . 1 . . . . . . . . 5700 1 938 . 1 1 190 190 GLU CB C 13 29.6 0.1 . 1 . . . . . . . . 5700 1 939 . 1 1 190 190 GLU HA H 1 4.98 0.03 . 1 . . . . . . . . 5700 1 940 . 1 1 191 191 ALA N N 15 124.7 0.1 . 1 . . . . . . . . 5700 1 941 . 1 1 191 191 ALA H H 1 7.93 0.03 . 1 . . . . . . . . 5700 1 942 . 1 1 191 191 ALA C C 13 174.9 0.1 . 1 . . . . . . . . 5700 1 943 . 1 1 191 191 ALA CA C 13 49.8 0.1 . 1 . . . . . . . . 5700 1 944 . 1 1 191 191 ALA CB C 13 20.9 0.1 . 1 . . . . . . . . 5700 1 945 . 1 1 191 191 ALA HA H 1 5.55 0.03 . 1 . . . . . . . . 5700 1 946 . 1 1 192 192 ARG N N 15 123.4 0.1 . 1 . . . . . . . . 5700 1 947 . 1 1 192 192 ARG H H 1 9.01 0.03 . 1 . . . . . . . . 5700 1 948 . 1 1 192 192 ARG C C 13 173.1 0.1 . 1 . . . . . . . . 5700 1 949 . 1 1 192 192 ARG CA C 13 54.3 0.1 . 1 . . . . . . . . 5700 1 950 . 1 1 192 192 ARG CB C 13 32.0 0.1 . 1 . . . . . . . . 5700 1 951 . 1 1 192 192 ARG HA H 1 4.33 0.03 . 1 . . . . . . . . 5700 1 952 . 1 1 193 193 ILE N N 15 129.5 0.1 . 1 . . . . . . . . 5700 1 953 . 1 1 193 193 ILE H H 1 8.53 0.03 . 1 . . . . . . . . 5700 1 954 . 1 1 193 193 ILE C C 13 177.3 0.1 . 1 . . . . . . . . 5700 1 955 . 1 1 193 193 ILE CA C 13 59.3 0.1 . 1 . . . . . . . . 5700 1 956 . 1 1 193 193 ILE CB C 13 36.7 0.1 . 1 . . . . . . . . 5700 1 957 . 1 1 193 193 ILE HA H 1 5.55 0.03 . 1 . . . . . . . . 5700 1 958 . 1 1 194 194 CYS N N 15 123.5 0.1 . 1 . . . . . . . . 5700 1 959 . 1 1 194 194 CYS H H 1 9.62 0.03 . 1 . . . . . . . . 5700 1 960 . 1 1 194 194 CYS C C 13 172.8 0.1 . 1 . . . . . . . . 5700 1 961 . 1 1 194 194 CYS CA C 13 54.6 0.1 . 1 . . . . . . . . 5700 1 962 . 1 1 194 194 CYS CB C 13 31.5 0.1 . 1 . . . . . . . . 5700 1 963 . 1 1 194 194 CYS HA H 1 5.15 0.03 . 1 . . . . . . . . 5700 1 964 . 1 1 195 195 ALA N N 15 122.5 0.1 . 1 . . . . . . . . 5700 1 965 . 1 1 195 195 ALA H H 1 8.58 0.03 . 1 . . . . . . . . 5700 1 966 . 1 1 195 195 ALA C C 13 179.1 0.1 . 1 . . . . . . . . 5700 1 967 . 1 1 195 195 ALA CA C 13 54.6 0.1 . 1 . . . . . . . . 5700 1 968 . 1 1 195 195 ALA CB C 13 18.7 0.1 . 1 . . . . . . . . 5700 1 969 . 1 1 196 196 CYS N N 15 115.9 0.1 . 1 . . . . . . . . 5700 1 970 . 1 1 196 196 CYS H H 1 8.85 0.03 . 1 . . . . . . . . 5700 1 971 . 1 1 196 196 CYS C C 13 171.5 0.1 . 1 . . . . . . . . 5700 1 972 . 1 1 196 196 CYS CA C 13 54.5 0.1 . 1 . . . . . . . . 5700 1 973 . 1 1 196 196 CYS CB C 13 26.9 0.1 . 1 . . . . . . . . 5700 1 974 . 1 1 196 196 CYS HA H 1 4.92 0.03 . 1 . . . . . . . . 5700 1 975 . 1 1 197 197 PRO C C 13 176.5 0.1 . 1 . . . . . . . . 5700 1 976 . 1 1 197 197 PRO CA C 13 65.1 0.1 . 1 . . . . . . . . 5700 1 977 . 1 1 198 198 GLY N N 15 102.8 0.1 . 1 . . . . . . . . 5700 1 978 . 1 1 198 198 GLY H H 1 8.86 0.03 . 1 . . . . . . . . 5700 1 979 . 1 1 198 198 GLY C C 13 176.1 0.1 . 1 . . . . . . . . 5700 1 980 . 1 1 198 198 GLY CA C 13 46.4 0.1 . 1 . . . . . . . . 5700 1 981 . 1 1 198 198 GLY HA2 H 1 3.60 0.03 . 1 . . . . . . . . 5700 1 982 . 1 1 198 198 GLY HA3 H 1 3.60 0.03 . 1 . . . . . . . . 5700 1 983 . 1 1 199 199 ARG N N 15 122.1 0.1 . 1 . . . . . . . . 5700 1 984 . 1 1 199 199 ARG H H 1 7.41 0.03 . 1 . . . . . . . . 5700 1 985 . 1 1 199 199 ARG C C 13 178.7 0.1 . 1 . . . . . . . . 5700 1 986 . 1 1 199 199 ARG CA C 13 58.3 0.1 . 1 . . . . . . . . 5700 1 987 . 1 1 199 199 ARG HA H 1 3.99 0.03 . 1 . . . . . . . . 5700 1 988 . 1 1 200 200 ASP N N 15 122.5 0.1 . 1 . . . . . . . . 5700 1 989 . 1 1 200 200 ASP H H 1 8.00 0.03 . 1 . . . . . . . . 5700 1 990 . 1 1 200 200 ASP C C 13 177.6 0.1 . 1 . . . . . . . . 5700 1 991 . 1 1 200 200 ASP CA C 13 57.0 0.1 . 1 . . . . . . . . 5700 1 992 . 1 1 200 200 ASP CB C 13 39.0 0.1 . 1 . . . . . . . . 5700 1 993 . 1 1 200 200 ASP HA H 1 4.33 0.03 . 1 . . . . . . . . 5700 1 994 . 1 1 201 201 ARG N N 15 120.8 0.1 . 1 . . . . . . . . 5700 1 995 . 1 1 201 201 ARG H H 1 7.81 0.03 . 1 . . . . . . . . 5700 1 996 . 1 1 201 201 ARG C C 13 177.2 0.1 . 1 . . . . . . . . 5700 1 997 . 1 1 201 201 ARG CA C 13 58.7 0.1 . 1 . . . . . . . . 5700 1 998 . 1 1 201 201 ARG CB C 13 27.9 0.1 . 1 . . . . . . . . 5700 1 999 . 1 1 201 201 ARG HA H 1 4.23 0.03 . 1 . . . . . . . . 5700 1 1000 . 1 1 202 202 LYS N N 15 118.4 0.1 . 1 . . . . . . . . 5700 1 1001 . 1 1 202 202 LYS H H 1 7.33 0.03 . 1 . . . . . . . . 5700 1 1002 . 1 1 202 202 LYS C C 13 178.0 0.1 . 1 . . . . . . . . 5700 1 1003 . 1 1 202 202 LYS CA C 13 58.6 0.1 . 1 . . . . . . . . 5700 1 1004 . 1 1 202 202 LYS CB C 13 31.2 0.1 . 1 . . . . . . . . 5700 1 1005 . 1 1 202 202 LYS HA H 1 3.99 0.03 . 1 . . . . . . . . 5700 1 1006 . 1 1 203 203 ALA N N 15 119.8 0.1 . 1 . . . . . . . . 5700 1 1007 . 1 1 203 203 ALA H H 1 7.93 0.03 . 1 . . . . . . . . 5700 1 1008 . 1 1 203 203 ALA C C 13 181.0 0.1 . 1 . . . . . . . . 5700 1 1009 . 1 1 203 203 ALA CA C 13 54.4 0.1 . 1 . . . . . . . . 5700 1 1010 . 1 1 203 203 ALA CB C 13 16.7 0.1 . 1 . . . . . . . . 5700 1 1011 . 1 1 203 203 ALA HA H 1 4.18 0.03 . 1 . . . . . . . . 5700 1 1012 . 1 1 204 204 ASP N N 15 119.5 0.1 . 1 . . . . . . . . 5700 1 1013 . 1 1 204 204 ASP H H 1 8.06 0.03 . 1 . . . . . . . . 5700 1 1014 . 1 1 204 204 ASP C C 13 179.5 0.1 . 1 . . . . . . . . 5700 1 1015 . 1 1 204 204 ASP CA C 13 56.4 0.1 . 1 . . . . . . . . 5700 1 1016 . 1 1 204 204 ASP CB C 13 39.3 0.1 . 1 . . . . . . . . 5700 1 1017 . 1 1 204 204 ASP HA H 1 4.47 0.03 . 1 . . . . . . . . 5700 1 1018 . 1 1 205 205 GLU N N 15 120.3 0.1 . 1 . . . . . . . . 5700 1 1019 . 1 1 205 205 GLU H H 1 8.66 0.03 . 1 . . . . . . . . 5700 1 1020 . 1 1 205 205 GLU C C 13 179.2 0.1 . 1 . . . . . . . . 5700 1 1021 . 1 1 205 205 GLU CA C 13 59.0 0.1 . 1 . . . . . . . . 5700 1 1022 . 1 1 205 205 GLU CB C 13 28.1 0.1 . 1 . . . . . . . . 5700 1 1023 . 1 1 205 205 GLU HA H 1 3.92 0.03 . 1 . . . . . . . . 5700 1 1024 . 1 1 206 206 ASP N N 15 119.9 0.1 . 1 . . . . . . . . 5700 1 1025 . 1 1 206 206 ASP H H 1 8.75 0.03 . 1 . . . . . . . . 5700 1 1026 . 1 1 206 206 ASP C C 13 178.5 0.1 . 1 . . . . . . . . 5700 1 1027 . 1 1 206 206 ASP CA C 13 56.5 0.1 . 1 . . . . . . . . 5700 1 1028 . 1 1 206 206 ASP CB C 13 39.7 0.1 . 1 . . . . . . . . 5700 1 1029 . 1 1 206 206 ASP HA H 1 4.47 0.03 . 1 . . . . . . . . 5700 1 1030 . 1 1 207 207 SER N N 15 114.0 0.1 . 1 . . . . . . . . 5700 1 1031 . 1 1 207 207 SER H H 1 7.84 0.03 . 1 . . . . . . . . 5700 1 1032 . 1 1 207 207 SER C C 13 176.2 0.1 . 1 . . . . . . . . 5700 1 1033 . 1 1 207 207 SER CA C 13 60.6 0.1 . 1 . . . . . . . . 5700 1 1034 . 1 1 207 207 SER CB C 13 62.4 0.1 . 1 . . . . . . . . 5700 1 1035 . 1 1 207 207 SER HA H 1 4.29 0.03 . 1 . . . . . . . . 5700 1 1036 . 1 1 208 208 ILE N N 15 119.9 0.1 . 1 . . . . . . . . 5700 1 1037 . 1 1 208 208 ILE H H 1 7.58 0.03 . 1 . . . . . . . . 5700 1 1038 . 1 1 208 208 ILE C C 13 177.5 0.1 . 1 . . . . . . . . 5700 1 1039 . 1 1 208 208 ILE CA C 13 62.3 0.1 . 1 . . . . . . . . 5700 1 1040 . 1 1 208 208 ILE CB C 13 37.2 0.1 . 1 . . . . . . . . 5700 1 1041 . 1 1 208 208 ILE HA H 1 4.13 0.03 . 1 . . . . . . . . 5700 1 1042 . 1 1 209 209 ARG N N 15 121.5 0.1 . 1 . . . . . . . . 5700 1 1043 . 1 1 209 209 ARG H H 1 7.64 0.03 . 1 . . . . . . . . 5700 1 1044 . 1 1 209 209 ARG C C 13 174.7 0.1 . 1 . . . . . . . . 5700 1 1045 . 1 1 209 209 ARG CA C 13 57.3 0.1 . 1 . . . . . . . . 5700 1 1046 . 1 1 209 209 ARG CB C 13 29.4 0.1 . 1 . . . . . . . . 5700 1 1047 . 1 1 209 209 ARG HA H 1 4.23 0.03 . 1 . . . . . . . . 5700 1 1048 . 1 1 210 210 LYS N N 15 119.6 0.1 . 1 . . . . . . . . 5700 1 1049 . 1 1 210 210 LYS H H 1 8.00 0.03 . 1 . . . . . . . . 5700 1 1050 . 1 1 210 210 LYS C C 13 177.2 0.1 . 1 . . . . . . . . 5700 1 1051 . 1 1 210 210 LYS CA C 13 56.8 0.1 . 1 . . . . . . . . 5700 1 1052 . 1 1 210 210 LYS CB C 13 31.8 0.1 . 1 . . . . . . . . 5700 1 1053 . 1 1 210 210 LYS HA H 1 4.20 0.03 . 1 . . . . . . . . 5700 1 1054 . 1 1 211 211 GLN N N 15 119.5 0.1 . 1 . . . . . . . . 5700 1 1055 . 1 1 211 211 GLN H H 1 8.04 0.03 . 1 . . . . . . . . 5700 1 1056 . 1 1 211 211 GLN C C 13 176.2 0.1 . 1 . . . . . . . . 5700 1 1057 . 1 1 211 211 GLN CA C 13 56.0 0.1 . 1 . . . . . . . . 5700 1 1058 . 1 1 211 211 GLN CB C 13 28.1 0.1 . 1 . . . . . . . . 5700 1 1059 . 1 1 211 211 GLN HA H 1 4.24 0.03 . 1 . . . . . . . . 5700 1 1060 . 1 1 212 212 GLN N N 15 120.3 0.1 . 1 . . . . . . . . 5700 1 1061 . 1 1 212 212 GLN H H 1 8.23 0.03 . 1 . . . . . . . . 5700 1 1062 . 1 1 212 212 GLN C C 13 176.3 0.1 . 1 . . . . . . . . 5700 1 1063 . 1 1 212 212 GLN CA C 13 55.9 0.1 . 1 . . . . . . . . 5700 1 1064 . 1 1 212 212 GLN CB C 13 28.2 0.1 . 1 . . . . . . . . 5700 1 1065 . 1 1 212 212 GLN HA H 1 4.38 0.03 . 1 . . . . . . . . 5700 1 1066 . 1 1 213 213 VAL N N 15 120.4 0.1 . 1 . . . . . . . . 5700 1 1067 . 1 1 213 213 VAL H H 1 8.15 0.03 . 1 . . . . . . . . 5700 1 1068 . 1 1 213 213 VAL C C 13 176.0 0.1 . 1 . . . . . . . . 5700 1 1069 . 1 1 213 213 VAL CA C 13 62.1 0.1 . 1 . . . . . . . . 5700 1 1070 . 1 1 213 213 VAL CB C 13 31.2 0.1 . 1 . . . . . . . . 5700 1 1071 . 1 1 213 213 VAL HA H 1 4.20 0.03 . 1 . . . . . . . . 5700 1 1072 . 1 1 214 214 SER N N 15 116.8 0.1 . 1 . . . . . . . . 5700 1 1073 . 1 1 214 214 SER H H 1 8.27 0.03 . 1 . . . . . . . . 5700 1 1074 . 1 1 214 214 SER C C 13 174.3 0.1 . 1 . . . . . . . . 5700 1 1075 . 1 1 214 214 SER CA C 13 58.0 0.1 . 1 . . . . . . . . 5700 1 1076 . 1 1 214 214 SER CB C 13 63.2 0.1 . 1 . . . . . . . . 5700 1 1077 . 1 1 214 214 SER HA H 1 4.46 0.03 . 1 . . . . . . . . 5700 1 1078 . 1 1 215 215 ASP N N 15 122.4 0.1 . 1 . . . . . . . . 5700 1 1079 . 1 1 215 215 ASP H H 1 8.43 0.03 . 1 . . . . . . . . 5700 1 1080 . 1 1 215 215 ASP C C 13 176.6 0.1 . 1 . . . . . . . . 5700 1 1081 . 1 1 215 215 ASP CA C 13 54.1 0.1 . 1 . . . . . . . . 5700 1 1082 . 1 1 215 215 ASP CB C 13 40.8 0.1 . 1 . . . . . . . . 5700 1 1083 . 1 1 215 215 ASP HA H 1 4.57 0.03 . 1 . . . . . . . . 5700 1 1084 . 1 1 216 216 SER N N 15 116.4 0.1 . 1 . . . . . . . . 5700 1 1085 . 1 1 216 216 SER H H 1 8.40 0.03 . 1 . . . . . . . . 5700 1 1086 . 1 1 216 216 SER C C 13 175.2 0.1 . 1 . . . . . . . . 5700 1 1087 . 1 1 216 216 SER CA C 13 58.7 0.1 . 1 . . . . . . . . 5700 1 1088 . 1 1 216 216 SER CB C 13 62.8 0.1 . 1 . . . . . . . . 5700 1 1089 . 1 1 216 216 SER HA H 1 4.50 0.03 . 1 . . . . . . . . 5700 1 1090 . 1 1 217 217 THR N N 15 115.2 0.1 . 1 . . . . . . . . 5700 1 1091 . 1 1 217 217 THR H H 1 8.23 0.03 . 1 . . . . . . . . 5700 1 1092 . 1 1 217 217 THR C C 13 174.9 0.1 . 1 . . . . . . . . 5700 1 1093 . 1 1 217 217 THR CA C 13 62.2 0.1 . 1 . . . . . . . . 5700 1 1094 . 1 1 217 217 THR CB C 13 69.2 0.1 . 1 . . . . . . . . 5700 1 1095 . 1 1 217 217 THR HA H 1 4.37 0.03 . 1 . . . . . . . . 5700 1 1096 . 1 1 218 218 LYS N N 15 122.6 0.1 . 1 . . . . . . . . 5700 1 1097 . 1 1 218 218 LYS H H 1 8.15 0.03 . 1 . . . . . . . . 5700 1 1098 . 1 1 218 218 LYS C C 13 176.3 0.1 . 1 . . . . . . . . 5700 1 1099 . 1 1 218 218 LYS CA C 13 55.9 0.1 . 1 . . . . . . . . 5700 1 1100 . 1 1 218 218 LYS HA H 1 4.39 0.03 . 1 . . . . . . . . 5700 1 1101 . 1 1 219 219 ASN C C 13 175.8 0.1 . 1 . . . . . . . . 5700 1 1102 . 1 1 219 219 ASN CA C 13 52.8 0.1 . 1 . . . . . . . . 5700 1 1103 . 1 1 219 219 ASN CB C 13 38.3 0.1 . 1 . . . . . . . . 5700 1 1104 . 1 1 220 220 GLY N N 15 109.2 0.1 . 1 . . . . . . . . 5700 1 1105 . 1 1 220 220 GLY H H 1 8.36 0.03 . 1 . . . . . . . . 5700 1 1106 . 1 1 220 220 GLY C C 13 174.1 0.1 . 1 . . . . . . . . 5700 1 1107 . 1 1 220 220 GLY CA C 13 45.1 0.1 . 1 . . . . . . . . 5700 1 1108 . 1 1 220 220 GLY HA2 H 1 4.00 0.03 . 1 . . . . . . . . 5700 1 1109 . 1 1 220 220 GLY HA3 H 1 4.00 0.03 . 1 . . . . . . . . 5700 1 1110 . 1 1 221 221 ASP N N 15 120.5 0.1 . 1 . . . . . . . . 5700 1 1111 . 1 1 221 221 ASP H H 1 8.27 0.03 . 1 . . . . . . . . 5700 1 1112 . 1 1 221 221 ASP C C 13 176.4 0.1 . 1 . . . . . . . . 5700 1 1113 . 1 1 221 221 ASP CA C 13 54.3 0.1 . 1 . . . . . . . . 5700 1 1114 . 1 1 221 221 ASP CB C 13 41.3 0.1 . 1 . . . . . . . . 5700 1 1115 . 1 1 221 221 ASP HA H 1 4.61 0.03 . 1 . . . . . . . . 5700 1 1116 . 1 1 222 222 ALA N N 15 123.3 0.1 . 1 . . . . . . . . 5700 1 1117 . 1 1 222 222 ALA H H 1 8.22 0.03 . 1 . . . . . . . . 5700 1 1118 . 1 1 222 222 ALA C C 13 177.8 0.1 . 1 . . . . . . . . 5700 1 1119 . 1 1 222 222 ALA CA C 13 52.7 0.1 . 1 . . . . . . . . 5700 1 1120 . 1 1 222 222 ALA CB C 13 18.1 0.1 . 1 . . . . . . . . 5700 1 1121 . 1 1 222 222 ALA HA H 1 4.17 0.03 . 1 . . . . . . . . 5700 1 1122 . 1 1 223 223 PHE N N 15 117.9 0.1 . 1 . . . . . . . . 5700 1 1123 . 1 1 223 223 PHE H H 1 8.09 0.03 . 1 . . . . . . . . 5700 1 1124 . 1 1 223 223 PHE C C 13 175.8 0.1 . 1 . . . . . . . . 5700 1 1125 . 1 1 223 223 PHE CA C 13 57.5 0.1 . 1 . . . . . . . . 5700 1 1126 . 1 1 223 223 PHE CB C 13 38.4 0.1 . 1 . . . . . . . . 5700 1 1127 . 1 1 223 223 PHE HA H 1 4.65 0.03 . 1 . . . . . . . . 5700 1 1128 . 1 1 224 224 ARG N N 15 121.7 0.1 . 1 . . . . . . . . 5700 1 1129 . 1 1 224 224 ARG H H 1 7.97 0.03 . 1 . . . . . . . . 5700 1 1130 . 1 1 224 224 ARG C C 13 175.1 0.1 . 1 . . . . . . . . 5700 1 1131 . 1 1 224 224 ARG CA C 13 55.7 0.1 . 1 . . . . . . . . 5700 1 1132 . 1 1 224 224 ARG CB C 13 29.7 0.1 . 1 . . . . . . . . 5700 1 1133 . 1 1 224 224 ARG HA H 1 4.26 0.03 . 1 . . . . . . . . 5700 1 1134 . 1 1 225 225 GLN N N 15 120.6 0.1 . 1 . . . . . . . . 5700 1 1135 . 1 1 225 225 GLN H H 1 8.32 0.03 . 1 . . . . . . . . 5700 1 1136 . 1 1 225 225 GLN C C 13 175.7 0.1 . 1 . . . . . . . . 5700 1 1137 . 1 1 225 225 GLN CA C 13 55.6 0.1 . 1 . . . . . . . . 5700 1 1138 . 1 1 225 225 GLN HA H 1 4.28 0.03 . 1 . . . . . . . . 5700 1 1139 . 1 1 226 226 ASN N N 15 119.5 0.1 . 1 . . . . . . . . 5700 1 1140 . 1 1 226 226 ASN H H 1 8.51 0.03 . 1 . . . . . . . . 5700 1 1141 . 1 1 226 226 ASN C C 13 175.4 0.1 . 1 . . . . . . . . 5700 1 1142 . 1 1 226 226 ASN CA C 13 52.9 0.1 . 1 . . . . . . . . 5700 1 1143 . 1 1 227 227 THR N N 15 113.7 0.1 . 1 . . . . . . . . 5700 1 1144 . 1 1 227 227 THR H H 1 8.15 0.03 . 1 . . . . . . . . 5700 1 1145 . 1 1 227 227 THR C C 13 174.3 0.1 . 1 . . . . . . . . 5700 1 1146 . 1 1 227 227 THR CA C 13 61.7 0.1 . 1 . . . . . . . . 5700 1 1147 . 1 1 228 228 HIS N N 15 123.2 0.1 . 1 . . . . . . . . 5700 1 1148 . 1 1 228 228 HIS H H 1 8.13 0.03 . 1 . . . . . . . . 5700 1 1149 . 1 1 228 228 HIS C C 13 175.2 0.1 . 1 . . . . . . . . 5700 1 1150 . 1 1 228 228 HIS CA C 13 55.6 0.1 . 1 . . . . . . . . 5700 1 1151 . 1 1 228 228 HIS HA H 1 4.36 0.03 . 1 . . . . . . . . 5700 1 1152 . 1 1 229 229 GLY N N 15 109.7 0.1 . 1 . . . . . . . . 5700 1 1153 . 1 1 229 229 GLY H H 1 8.34 0.03 . 1 . . . . . . . . 5700 1 1154 . 1 1 229 229 GLY C C 13 173.8 0.1 . 1 . . . . . . . . 5700 1 1155 . 1 1 229 229 GLY CA C 13 44.7 0.1 . 1 . . . . . . . . 5700 1 1156 . 1 1 230 230 ILE N N 15 119.9 0.1 . 1 . . . . . . . . 5700 1 1157 . 1 1 230 230 ILE H H 1 8.03 0.03 . 1 . . . . . . . . 5700 1 1158 . 1 1 230 230 ILE C C 13 176.0 0.1 . 1 . . . . . . . . 5700 1 1159 . 1 1 230 230 ILE CA C 13 60.6 0.1 . 1 . . . . . . . . 5700 1 1160 . 1 1 230 230 ILE CB C 13 38.0 0.1 . 1 . . . . . . . . 5700 1 1161 . 1 1 230 230 ILE HA H 1 4.22 0.03 . 1 . . . . . . . . 5700 1 1162 . 1 1 231 231 GLN N N 15 124.5 0.1 . 1 . . . . . . . . 5700 1 1163 . 1 1 231 231 GLN H H 1 8.53 0.03 . 1 . . . . . . . . 5700 1 1164 . 1 1 231 231 GLN C C 13 175.5 0.1 . 1 . . . . . . . . 5700 1 1165 . 1 1 231 231 GLN CA C 13 55.1 0.1 . 1 . . . . . . . . 5700 1 1166 . 1 1 231 231 GLN CB C 13 28.6 0.1 . 1 . . . . . . . . 5700 1 1167 . 1 1 231 231 GLN HA H 1 4.42 0.03 . 1 . . . . . . . . 5700 1 1168 . 1 1 232 232 MET N N 15 123.1 0.1 . 1 . . . . . . . . 5700 1 1169 . 1 1 232 232 MET H H 1 8.54 0.03 . 1 . . . . . . . . 5700 1 1170 . 1 1 232 232 MET C C 13 175.5 0.1 . 1 . . . . . . . . 5700 1 1171 . 1 1 232 232 MET CA C 13 55.1 0.1 . 1 . . . . . . . . 5700 1 1172 . 1 1 232 232 MET CB C 13 32.2 0.1 . 1 . . . . . . . . 5700 1 1173 . 1 1 232 232 MET HA H 1 4.57 0.03 . 1 . . . . . . . . 5700 1 1174 . 1 1 233 233 THR N N 15 120.2 0.1 . 1 . . . . . . . . 5700 1 1175 . 1 1 233 233 THR H H 1 7.82 0.03 . 1 . . . . . . . . 5700 1 1176 . 1 1 233 233 THR C C 13 179.0 0.1 . 1 . . . . . . . . 5700 1 1177 . 1 1 233 233 THR CA C 13 62.6 0.1 . 1 . . . . . . . . 5700 1 1178 . 1 1 233 233 THR HA H 1 4.17 0.03 . 1 . . . . . . . . 5700 1 stop_ save_