data_17945 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17945 _Entry.Title ; NMR backbone assignment of a Tau protein fragment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-19 _Entry.Accession_date 2011-09-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR backbone and CB assignment of a fragment (TauF4) of the neuronal Tau protein encompassing part of the proline rich region and the microtubule binding region' _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 Dries Verdegem . . . 17945 2 Nathalie Sibille . . . 17945 3 Jean-Michel Wieruzeski . . . 17945 4 Guy Lippens . . . 17945 5 Isabelle Landrieu . . . 17945 6 Isabelle Huvent . . . 17945 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . UMR8576-CNRS . 17945 2 . IFR147 . 17945 3 . 'University North of France' . 17945 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17945 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 214 17945 '15N chemical shifts' 99 17945 '1H chemical shifts' 99 17945 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-03-25 2011-09-19 update BMRB 'update entry citation' 17945 1 . . 2011-10-28 2011-09-19 original author 'original release' 17945 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17945 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22072628 _Citation.Full_citation . _Citation.Title 'Structural characterization by nuclear magnetic resonance of the impact of phosphorylation in the proline-rich region of the disordered Tau protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 80 _Citation.Journal_issue 2 _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 454 _Citation.Page_last 462 _Citation.Year 2012 _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 Nathalie Sibille . . . 17945 1 2 Isabelle Huvent . . . 17945 1 3 Caroline Fauquant . . . 17945 1 4 Dries Verdegem . . . 17945 1 5 Laziza Amniai . . . 17945 1 6 Arnaud Leroy . . . 17945 1 7 Jean-Michel Wieruszeski . . . 17945 1 8 Guy Lippens . . . 17945 1 9 Isabelle Landrieu . . . 17945 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Alzheimer's disease' 17945 1 'Disordered protein' 17945 1 'Microtubule associated protein' 17945 1 Phosphorylation 17945 1 'Tau protein' 17945 1 stop_ save_ save_Reference _Citation.Sf_category citations _Citation.Sf_framecode Reference _Citation.Entry_ID 17945 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21757739 _Citation.Full_citation . _Citation.Title 'Systematic identification of tubulin interacting fragments of the microtubule-associated protein TAU leads to a highly efficient promoter of microtubule assembly.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2011 _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 Caroline Fauquant . . . 17945 2 2 Virginie Redeker . . . 17945 2 3 Isabelle Landrieu . . . 17945 2 4 Jean-Michel Wieruzeski . . . 17945 2 5 Dries Verdegem . . . 17945 2 6 Guy Lippens . . . 17945 2 7 Benoit Gigant . . . 17945 2 8 Marcel Knossow . . . 17945 2 9 Olivier Laprevote . . . 17945 2 stop_ save_ save_Reference_2 _Citation.Sf_category citations _Citation.Sf_framecode Reference_2 _Citation.Entry_ID 17945 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18762868 _Citation.Full_citation . _Citation.Title 'Graphical interpretation of Boolean operators for protein NMR assignments.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 1 _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 11 _Citation.Page_last 21 _Citation.Year 2008 _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 Dries Verdegem . . . 17945 3 2 Klaas Dijkstra . . . 17945 3 3 Xavier Hanoulle . . . 17945 3 4 Guy Lippens . . . 17945 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17945 _Assembly.ID 1 _Assembly.Name 'TauF4 Fragment' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13355.4 _Assembly.Enzyme_commission_number . _Assembly.Details 'Monomeric Polypeptide in solution' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Polypeptide 1 $TauF4 A . yes 'intrinsically disordered' no no . . . 17945 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Microtubule associated protein' 17945 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TauF4 _Entity.Sf_category entity _Entity.Sf_framecode TauF4 _Entity.Entry_ID 17945 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TauF4 _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 ; MHHHHHHSRSRTPSLPTPPT REPKKVAVVRTPPKSPSSAK SRLQTAPVPMPDLKNVKSKI GSTENLKHQPGGGKVQIINK KLDLSNVQSKCGSKDNIKHV PGGGSVQIVYKPVDLSKVTS KSGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Numbering as in Tau 441 amino acid residue long isoform' _Entity.Polymer_author_seq_details ; The protein fragment is fused at his N-terminus to 6 Histidine residues for the purification This fragment of the neuronal Tau protein includes part of the proline rich domain [208-245] and part of the microtubule binding domain [245-324] ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment TauF4 _Entity.Mutation 'The cystein at position 322 in the native Tau protein is mutated to a serine residue in TauF4' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13355.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 17920 . tau-filaments . . . . . 94.35 441 99.15 99.15 5.54e-70 . . . . 17945 1 2 no BMRB 19253 . tau_K18 . . . . . 65.32 129 98.77 100.00 1.83e-46 . . . . 17945 1 3 no EMBL CAA32636 . "unnamed protein product [Homo sapiens]" . . . . . 94.35 383 99.15 99.15 2.45e-70 . . . . 17945 1 4 no GB AAC04277 . "PNS specific microtubule-associated protein tau, adult isoform [Homo sapiens]" . . . . . 94.35 758 99.15 99.15 2.50e-67 . . . . 17945 1 5 no GB AAC04279 . "CNS specific microtubule-associated protein tau, adult isoform [Homo sapiens]" . . . . . 94.35 441 99.15 99.15 5.54e-70 . . . . 17945 1 6 no GB AAF97596 . "tau protein [Papio hamadryas]" . . . . . 94.35 383 98.29 98.29 1.07e-69 . . . . 17945 1 7 no GB AAI14949 . "Microtubule-associated protein tau [Homo sapiens]" . . . . . 94.35 383 99.15 99.15 2.45e-70 . . . . 17945 1 8 no GB AAQ92319 . "microtubule-associated protein tau [Spermophilus citellus]" . . . . . 94.35 430 97.44 98.29 3.96e-69 . . . . 17945 1 9 no REF NP_001009068 . "microtubule-associated protein tau [Pan troglodytes]" . . . . . 94.35 776 99.15 99.15 3.19e-67 . . . . 17945 1 10 no REF NP_001104271 . "microtubule-associated protein tau [Canis lupus familiaris]" . . . . . 94.35 765 97.44 99.15 1.41e-66 . . . . 17945 1 11 no REF NP_001116538 . "microtubule-associated protein tau isoform 6 [Homo sapiens]" . . . . . 94.35 776 99.15 99.15 3.26e-67 . . . . 17945 1 12 no REF NP_001116539 . "microtubule-associated protein tau isoform 5 [Homo sapiens]" . . . . . 94.35 412 99.15 99.15 2.86e-70 . . . . 17945 1 13 no REF NP_005901 . "microtubule-associated protein tau isoform 2 [Homo sapiens]" . . . . . 94.35 441 99.15 99.15 5.54e-70 . . . . 17945 1 14 no SP P10636 . "RecName: Full=Microtubule-associated protein tau; AltName: Full=Neurofibrillary tangle protein; AltName: Full=Paired helical fi" . . . . . 94.35 758 99.15 99.15 2.56e-67 . . . . 17945 1 15 no SP P57786 . "RecName: Full=Microtubule-associated protein tau; AltName: Full=Neurofibrillary tangle protein; AltName: Full=Paired helical fi" . . . . . 94.35 459 98.29 98.29 2.99e-69 . . . . 17945 1 16 no SP Q5S6V2 . "RecName: Full=Microtubule-associated protein tau" . . . . . 94.35 758 99.15 99.15 3.30e-67 . . . . 17945 1 17 no SP Q5YCV9 . "RecName: Full=Microtubule-associated protein tau" . . . . . 94.35 776 99.15 99.15 3.16e-67 . . . . 17945 1 18 no SP Q5YCW0 . "RecName: Full=Microtubule-associated protein tau" . . . . . 94.35 776 99.15 99.15 2.77e-67 . . . . 17945 1 19 no TPE CAG26750 . "TPA: microtubule-associated protein tau [Homo sapiens]" . . . . . 94.35 776 99.15 99.15 3.43e-67 . . . . 17945 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Microtubule associated protein (MAP)' 17945 1 'neuronal Tau protein' 17945 1 'Paired Helical Filaments (PHF) formation' 17945 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 1 201 MET . 17945 1 2 202 HIS . 17945 1 3 203 HIS . 17945 1 4 204 HIS . 17945 1 5 205 HIS . 17945 1 6 206 HIS . 17945 1 7 207 HIS . 17945 1 8 208 SER . 17945 1 9 209 ARG . 17945 1 10 210 SER . 17945 1 11 211 ARG . 17945 1 12 212 THR . 17945 1 13 213 PRO . 17945 1 14 214 SER . 17945 1 15 215 LEU . 17945 1 16 216 PRO . 17945 1 17 217 THR . 17945 1 18 218 PRO . 17945 1 19 219 PRO . 17945 1 20 220 THR . 17945 1 21 221 ARG . 17945 1 22 222 GLU . 17945 1 23 223 PRO . 17945 1 24 224 LYS . 17945 1 25 225 LYS . 17945 1 26 226 VAL . 17945 1 27 227 ALA . 17945 1 28 228 VAL . 17945 1 29 229 VAL . 17945 1 30 230 ARG . 17945 1 31 231 THR . 17945 1 32 232 PRO . 17945 1 33 233 PRO . 17945 1 34 234 LYS . 17945 1 35 235 SER . 17945 1 36 236 PRO . 17945 1 37 237 SER . 17945 1 38 238 SER . 17945 1 39 239 ALA . 17945 1 40 240 LYS . 17945 1 41 241 SER . 17945 1 42 242 ARG . 17945 1 43 243 LEU . 17945 1 44 244 GLN . 17945 1 45 245 THR . 17945 1 46 246 ALA . 17945 1 47 247 PRO . 17945 1 48 248 VAL . 17945 1 49 249 PRO . 17945 1 50 250 MET . 17945 1 51 251 PRO . 17945 1 52 252 ASP . 17945 1 53 253 LEU . 17945 1 54 254 LYS . 17945 1 55 255 ASN . 17945 1 56 256 VAL . 17945 1 57 257 LYS . 17945 1 58 258 SER . 17945 1 59 259 LYS . 17945 1 60 260 ILE . 17945 1 61 261 GLY . 17945 1 62 262 SER . 17945 1 63 263 THR . 17945 1 64 264 GLU . 17945 1 65 265 ASN . 17945 1 66 266 LEU . 17945 1 67 267 LYS . 17945 1 68 268 HIS . 17945 1 69 269 GLN . 17945 1 70 270 PRO . 17945 1 71 271 GLY . 17945 1 72 272 GLY . 17945 1 73 273 GLY . 17945 1 74 274 LYS . 17945 1 75 275 VAL . 17945 1 76 276 GLN . 17945 1 77 277 ILE . 17945 1 78 278 ILE . 17945 1 79 279 ASN . 17945 1 80 280 LYS . 17945 1 81 281 LYS . 17945 1 82 282 LEU . 17945 1 83 283 ASP . 17945 1 84 284 LEU . 17945 1 85 285 SER . 17945 1 86 286 ASN . 17945 1 87 287 VAL . 17945 1 88 288 GLN . 17945 1 89 289 SER . 17945 1 90 290 LYS . 17945 1 91 291 CYS . 17945 1 92 292 GLY . 17945 1 93 293 SER . 17945 1 94 294 LYS . 17945 1 95 295 ASP . 17945 1 96 296 ASN . 17945 1 97 297 ILE . 17945 1 98 298 LYS . 17945 1 99 299 HIS . 17945 1 100 300 VAL . 17945 1 101 301 PRO . 17945 1 102 302 GLY . 17945 1 103 303 GLY . 17945 1 104 304 GLY . 17945 1 105 305 SER . 17945 1 106 306 VAL . 17945 1 107 307 GLN . 17945 1 108 308 ILE . 17945 1 109 309 VAL . 17945 1 110 310 TYR . 17945 1 111 311 LYS . 17945 1 112 312 PRO . 17945 1 113 313 VAL . 17945 1 114 314 ASP . 17945 1 115 315 LEU . 17945 1 116 316 SER . 17945 1 117 317 LYS . 17945 1 118 318 VAL . 17945 1 119 319 THR . 17945 1 120 320 SER . 17945 1 121 321 LYS . 17945 1 122 322 SER . 17945 1 123 323 GLY . 17945 1 124 324 SER . 17945 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17945 1 . HIS 2 2 17945 1 . HIS 3 3 17945 1 . HIS 4 4 17945 1 . HIS 5 5 17945 1 . HIS 6 6 17945 1 . HIS 7 7 17945 1 . SER 8 8 17945 1 . ARG 9 9 17945 1 . SER 10 10 17945 1 . ARG 11 11 17945 1 . THR 12 12 17945 1 . PRO 13 13 17945 1 . SER 14 14 17945 1 . LEU 15 15 17945 1 . PRO 16 16 17945 1 . THR 17 17 17945 1 . PRO 18 18 17945 1 . PRO 19 19 17945 1 . THR 20 20 17945 1 . ARG 21 21 17945 1 . GLU 22 22 17945 1 . PRO 23 23 17945 1 . LYS 24 24 17945 1 . LYS 25 25 17945 1 . VAL 26 26 17945 1 . ALA 27 27 17945 1 . VAL 28 28 17945 1 . VAL 29 29 17945 1 . ARG 30 30 17945 1 . THR 31 31 17945 1 . PRO 32 32 17945 1 . PRO 33 33 17945 1 . LYS 34 34 17945 1 . SER 35 35 17945 1 . PRO 36 36 17945 1 . SER 37 37 17945 1 . SER 38 38 17945 1 . ALA 39 39 17945 1 . LYS 40 40 17945 1 . SER 41 41 17945 1 . ARG 42 42 17945 1 . LEU 43 43 17945 1 . GLN 44 44 17945 1 . THR 45 45 17945 1 . ALA 46 46 17945 1 . PRO 47 47 17945 1 . VAL 48 48 17945 1 . PRO 49 49 17945 1 . MET 50 50 17945 1 . PRO 51 51 17945 1 . ASP 52 52 17945 1 . LEU 53 53 17945 1 . LYS 54 54 17945 1 . ASN 55 55 17945 1 . VAL 56 56 17945 1 . LYS 57 57 17945 1 . SER 58 58 17945 1 . LYS 59 59 17945 1 . ILE 60 60 17945 1 . GLY 61 61 17945 1 . SER 62 62 17945 1 . THR 63 63 17945 1 . GLU 64 64 17945 1 . ASN 65 65 17945 1 . LEU 66 66 17945 1 . LYS 67 67 17945 1 . HIS 68 68 17945 1 . GLN 69 69 17945 1 . PRO 70 70 17945 1 . GLY 71 71 17945 1 . GLY 72 72 17945 1 . GLY 73 73 17945 1 . LYS 74 74 17945 1 . VAL 75 75 17945 1 . GLN 76 76 17945 1 . ILE 77 77 17945 1 . ILE 78 78 17945 1 . ASN 79 79 17945 1 . LYS 80 80 17945 1 . LYS 81 81 17945 1 . LEU 82 82 17945 1 . ASP 83 83 17945 1 . LEU 84 84 17945 1 . SER 85 85 17945 1 . ASN 86 86 17945 1 . VAL 87 87 17945 1 . GLN 88 88 17945 1 . SER 89 89 17945 1 . LYS 90 90 17945 1 . CYS 91 91 17945 1 . GLY 92 92 17945 1 . SER 93 93 17945 1 . LYS 94 94 17945 1 . ASP 95 95 17945 1 . ASN 96 96 17945 1 . ILE 97 97 17945 1 . LYS 98 98 17945 1 . HIS 99 99 17945 1 . VAL 100 100 17945 1 . PRO 101 101 17945 1 . GLY 102 102 17945 1 . GLY 103 103 17945 1 . GLY 104 104 17945 1 . SER 105 105 17945 1 . VAL 106 106 17945 1 . GLN 107 107 17945 1 . ILE 108 108 17945 1 . VAL 109 109 17945 1 . TYR 110 110 17945 1 . LYS 111 111 17945 1 . PRO 112 112 17945 1 . VAL 113 113 17945 1 . ASP 114 114 17945 1 . LEU 115 115 17945 1 . SER 116 116 17945 1 . LYS 117 117 17945 1 . VAL 118 118 17945 1 . THR 119 119 17945 1 . SER 120 120 17945 1 . LYS 121 121 17945 1 . SER 122 122 17945 1 . GLY 123 123 17945 1 . SER 124 124 17945 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 17945 _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 $TauF4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . Neuronal . . 17945 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 17945 _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 $TauF4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21(DE3)pLysS . . . . . . . . . . . . . . . pET15b . . . 'Both pET3 and pET15b were used.' . . 17945 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17945 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TauF4 '[U-95% 15N]' . . 1 $TauF4 . . 300-450 . . uM . . . . 17945 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 17945 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TauF4 '[U-95% 13C; U-95% 15N]' . . 1 $TauF4 . . 300-450 . . uM . . . . 17945 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17945 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 17945 1 pH 6.6 . pH 17945 1 pressure 1 . atm 17945 1 temperature 293 . K 17945 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17945 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17945 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 17945 1 processing 17945 1 stop_ save_ save_NMRPy _Software.Sf_category software _Software.Sf_framecode NMRPy _Software.Entry_ID 17945 _Software.ID 2 _Software.Name NMRPy _Software.Version . _Software.Details ; Graphical interpretation of Boolean operators for protein NMR assignments. Verdegem D, Dijkstra K, Hanoulle X, Lippens G. J Biomol NMR. 2008 Sep;42(1):11-21. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'In house' . . 17945 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17945 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17945 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17945 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 17945 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 17945 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17945 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $Sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17945 1 3 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $Sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17945 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $Sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17945 1 5 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $Sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17945 1 6 HN(CA)N no 1 $NMR_spectrometer_expt . . . . . . . . 2 $Sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17945 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17945 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17945 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '1H chemical shift reference is TMSP' 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 'Trimethyl silyl propionate' 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 17945 1 N 15 'Trimethyl silyl propionate' 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 17945 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17945 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17945 1 2 '3D CBCA(CO)NH' . . . 17945 1 3 '3D HNCACB' . . . 17945 1 6 HN(CA)N . . . 17945 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 11 11 ARG CA C 13 56.0 . . . . . . . 211 ARG CA . 17945 1 2 . 1 1 11 11 ARG CB C 13 30.7 . . . . . . . 211 ARG CB . 17945 1 3 . 1 1 12 12 THR H H 1 8.31 . . . . . . . 212 THR H . 17945 1 4 . 1 1 12 12 THR CA C 13 59.9 . . . . . . . 212 THR CA . 17945 1 5 . 1 1 12 12 THR CB C 13 69.8 . . . . . . . 212 THR CB . 17945 1 6 . 1 1 12 12 THR N N 15 118.3 . . . . . . . 212 THR N . 17945 1 7 . 1 1 13 13 PRO CA C 13 63.3 . . . . . . . 213 PRO CA . 17945 1 8 . 1 1 13 13 PRO CB C 13 32.2 . . . . . . . 213 PRO CB . 17945 1 9 . 1 1 14 14 SER H H 1 8.46 . . . . . . . 214 SER H . 17945 1 10 . 1 1 14 14 SER CA C 13 58.2 . . . . . . . 214 SER CA . 17945 1 11 . 1 1 14 14 SER CB C 13 63.8 . . . . . . . 214 SER CB . 17945 1 12 . 1 1 14 14 SER N N 15 116.9 . . . . . . . 214 SER N . 17945 1 13 . 1 1 15 15 LEU H H 1 8.35 . . . . . . . 215 LEU H . 17945 1 14 . 1 1 15 15 LEU CA C 13 53.0 . . . . . . . 215 LEU CA . 17945 1 15 . 1 1 15 15 LEU CB C 13 41.8 . . . . . . . 215 LEU CB . 17945 1 16 . 1 1 15 15 LEU N N 15 125.7 . . . . . . . 215 LEU N . 17945 1 17 . 1 1 16 16 PRO CA C 13 63.0 . . . . . . . 216 PRO CA . 17945 1 18 . 1 1 16 16 PRO CB C 13 32.0 . . . . . . . 216 PRO CB . 17945 1 19 . 1 1 17 17 THR H H 1 8.38 . . . . . . . 217 THR H . 17945 1 20 . 1 1 17 17 THR CA C 13 60.0 . . . . . . . 217 THR CA . 17945 1 21 . 1 1 17 17 THR CB C 13 69.8 . . . . . . . 217 THR CB . 17945 1 22 . 1 1 17 17 THR N N 15 118.2 . . . . . . . 217 THR N . 17945 1 23 . 1 1 19 19 PRO CA C 13 62.8 . . . . . . . 219 PRO CA . 17945 1 24 . 1 1 19 19 PRO CB C 13 32.0 . . . . . . . 219 PRO CB . 17945 1 25 . 1 1 20 20 THR H H 1 8.30 . . . . . . . 220 THR H . 17945 1 26 . 1 1 20 20 THR CA C 13 61.8 . . . . . . . 220 THR CA . 17945 1 27 . 1 1 20 20 THR CB C 13 69.8 . . . . . . . 220 THR CB . 17945 1 28 . 1 1 20 20 THR N N 15 115.2 . . . . . . . 220 THR N . 17945 1 29 . 1 1 21 21 ARG H H 1 8.46 . . . . . . . 221 ARG H . 17945 1 30 . 1 1 21 21 ARG CA C 13 55.6 . . . . . . . 221 ARG CA . 17945 1 31 . 1 1 21 21 ARG CB C 13 30.7 . . . . . . . 221 ARG CB . 17945 1 32 . 1 1 21 21 ARG N N 15 123.9 . . . . . . . 221 ARG N . 17945 1 33 . 1 1 22 22 GLU H H 1 8.50 . . . . . . . 222 GLU H . 17945 1 34 . 1 1 22 22 GLU CA C 13 54.3 . . . . . . . 222 GLU CA . 17945 1 35 . 1 1 22 22 GLU CB C 13 29.7 . . . . . . . 222 GLU CB . 17945 1 36 . 1 1 22 22 GLU N N 15 124.1 . . . . . . . 222 GLU N . 17945 1 37 . 1 1 23 23 PRO CA C 13 62.8 . . . . . . . 223 PRO CA . 17945 1 38 . 1 1 23 23 PRO CB C 13 32.0 . . . . . . . 223 PRO CB . 17945 1 39 . 1 1 24 24 LYS H H 1 8.45 . . . . . . . 224 LYS H . 17945 1 40 . 1 1 24 24 LYS CA C 13 56.2 . . . . . . . 224 LYS CA . 17945 1 41 . 1 1 24 24 LYS CB C 13 32.8 . . . . . . . 224 LYS CB . 17945 1 42 . 1 1 24 24 LYS N N 15 122.0 . . . . . . . 224 LYS N . 17945 1 43 . 1 1 25 25 LYS H H 1 8.45 . . . . . . . 225 LYS H . 17945 1 44 . 1 1 25 25 LYS CA C 13 56.1 . . . . . . . 225 LYS CA . 17945 1 45 . 1 1 25 25 LYS CB C 13 33.1 . . . . . . . 225 LYS CB . 17945 1 46 . 1 1 25 25 LYS N N 15 124.0 . . . . . . . 225 LYS N . 17945 1 47 . 1 1 26 26 VAL H H 1 8.26 . . . . . . . 226 VAL H . 17945 1 48 . 1 1 26 26 VAL CA C 13 61.8 . . . . . . . 226 VAL CA . 17945 1 49 . 1 1 26 26 VAL CB C 13 32.8 . . . . . . . 226 VAL CB . 17945 1 50 . 1 1 26 26 VAL N N 15 122.8 . . . . . . . 226 VAL N . 17945 1 51 . 1 1 27 27 ALA H H 1 8.46 . . . . . . . 227 ALA H . 17945 1 52 . 1 1 27 27 ALA CA C 13 52.2 . . . . . . . 227 ALA CA . 17945 1 53 . 1 1 27 27 ALA CB C 13 19.1 . . . . . . . 227 ALA CB . 17945 1 54 . 1 1 27 27 ALA N N 15 128.9 . . . . . . . 227 ALA N . 17945 1 55 . 1 1 28 28 VAL H H 1 8.25 . . . . . . . 228 VAL H . 17945 1 56 . 1 1 28 28 VAL CA C 13 62.2 . . . . . . . 228 VAL CA . 17945 1 57 . 1 1 28 28 VAL CB C 13 32.8 . . . . . . . 228 VAL CB . 17945 1 58 . 1 1 28 28 VAL N N 15 121.3 . . . . . . . 228 VAL N . 17945 1 59 . 1 1 29 29 VAL H H 1 8.40 . . . . . . . 229 VAL H . 17945 1 60 . 1 1 29 29 VAL CA C 13 62.1 . . . . . . . 229 VAL CA . 17945 1 61 . 1 1 29 29 VAL CB C 13 32.6 . . . . . . . 229 VAL CB . 17945 1 62 . 1 1 29 29 VAL N N 15 126.1 . . . . . . . 229 VAL N . 17945 1 63 . 1 1 30 30 ARG H H 1 8.60 . . . . . . . 230 ARG H . 17945 1 64 . 1 1 30 30 ARG CA C 13 55.6 . . . . . . . 230 ARG CA . 17945 1 65 . 1 1 30 30 ARG CB C 13 30.7 . . . . . . . 230 ARG CB . 17945 1 66 . 1 1 30 30 ARG N N 15 126.5 . . . . . . . 230 ARG N . 17945 1 67 . 1 1 31 31 THR H H 1 8.35 . . . . . . . 231 THR H . 17945 1 68 . 1 1 31 31 THR CA C 13 59.7 . . . . . . . 231 THR CA . 17945 1 69 . 1 1 31 31 THR CB C 13 69.6 . . . . . . . 231 THR CB . 17945 1 70 . 1 1 31 31 THR N N 15 119.3 . . . . . . . 231 THR N . 17945 1 71 . 1 1 33 33 PRO CA C 13 62.8 . . . . . . . 233 PRO CA . 17945 1 72 . 1 1 33 33 PRO CB C 13 32.0 . . . . . . . 233 PRO CB . 17945 1 73 . 1 1 34 34 LYS H H 1 8.48 . . . . . . . 234 LYS H . 17945 1 74 . 1 1 34 34 LYS CA C 13 56.1 . . . . . . . 234 LYS CA . 17945 1 75 . 1 1 34 34 LYS CB C 13 33.1 . . . . . . . 234 LYS CB . 17945 1 76 . 1 1 34 34 LYS N N 15 122.0 . . . . . . . 234 LYS N . 17945 1 77 . 1 1 35 35 SER H H 1 8.49 . . . . . . . 235 SER H . 17945 1 78 . 1 1 35 35 SER CA C 13 56.4 . . . . . . . 235 SER CA . 17945 1 79 . 1 1 35 35 SER CB C 13 63.3 . . . . . . . 235 SER CB . 17945 1 80 . 1 1 35 35 SER N N 15 118.9 . . . . . . . 235 SER N . 17945 1 81 . 1 1 36 36 PRO CA C 13 63.0 . . . . . . . 236 PRO CA . 17945 1 82 . 1 1 36 36 PRO CB C 13 32.2 . . . . . . . 236 PRO CB . 17945 1 83 . 1 1 37 37 SER H H 1 8.48 . . . . . . . 237 SER H . 17945 1 84 . 1 1 37 37 SER CA C 13 58.4 . . . . . . . 237 SER CA . 17945 1 85 . 1 1 37 37 SER CB C 13 63.6 . . . . . . . 237 SER CB . 17945 1 86 . 1 1 37 37 SER N N 15 115.9 . . . . . . . 237 SER N . 17945 1 87 . 1 1 38 38 SER H H 1 8.38 . . . . . . . 238 SER H . 17945 1 88 . 1 1 38 38 SER CA C 13 58.2 . . . . . . . 238 SER CA . 17945 1 89 . 1 1 38 38 SER CB C 13 63.9 . . . . . . . 238 SER CB . 17945 1 90 . 1 1 38 38 SER N N 15 118.3 . . . . . . . 238 SER N . 17945 1 91 . 1 1 39 39 ALA H H 1 8.35 . . . . . . . 239 ALA H . 17945 1 92 . 1 1 39 39 ALA CA C 13 52.7 . . . . . . . 239 ALA CA . 17945 1 93 . 1 1 39 39 ALA CB C 13 18.8 . . . . . . . 239 ALA CB . 17945 1 94 . 1 1 39 39 ALA N N 15 126.0 . . . . . . . 239 ALA N . 17945 1 95 . 1 1 40 40 LYS H H 1 8.29 . . . . . . . 240 LYS H . 17945 1 96 . 1 1 40 40 LYS CA C 13 56.4 . . . . . . . 240 LYS CA . 17945 1 97 . 1 1 40 40 LYS CB C 13 32.8 . . . . . . . 240 LYS CB . 17945 1 98 . 1 1 40 40 LYS N N 15 120.3 . . . . . . . 240 LYS N . 17945 1 99 . 1 1 41 41 SER H H 1 8.27 . . . . . . . 241 SER H . 17945 1 100 . 1 1 41 41 SER CA C 13 58.4 . . . . . . . 241 SER CA . 17945 1 101 . 1 1 41 41 SER CB C 13 63.6 . . . . . . . 241 SER CB . 17945 1 102 . 1 1 41 41 SER N N 15 116.8 . . . . . . . 241 SER N . 17945 1 103 . 1 1 42 42 ARG H H 1 8.39 . . . . . . . 242 ARG H . 17945 1 104 . 1 1 42 42 ARG CA C 13 56.1 . . . . . . . 242 ARG CA . 17945 1 105 . 1 1 42 42 ARG CB C 13 30.5 . . . . . . . 242 ARG CB . 17945 1 106 . 1 1 42 42 ARG N N 15 123.1 . . . . . . . 242 ARG N . 17945 1 107 . 1 1 43 43 LEU H H 1 8.23 . . . . . . . 243 LEU H . 17945 1 108 . 1 1 43 43 LEU CA C 13 55.1 . . . . . . . 243 LEU CA . 17945 1 109 . 1 1 43 43 LEU CB C 13 42.1 . . . . . . . 243 LEU CB . 17945 1 110 . 1 1 43 43 LEU N N 15 123.0 . . . . . . . 243 LEU N . 17945 1 111 . 1 1 44 44 GLN H H 1 8.44 . . . . . . . 244 GLN H . 17945 1 112 . 1 1 44 44 GLN CA C 13 55.9 . . . . . . . 244 GLN CA . 17945 1 113 . 1 1 44 44 GLN CB C 13 29.4 . . . . . . . 244 GLN CB . 17945 1 114 . 1 1 44 44 GLN N N 15 121.8 . . . . . . . 244 GLN N . 17945 1 115 . 1 1 45 45 THR H H 1 8.18 . . . . . . . 245 THR H . 17945 1 116 . 1 1 45 45 THR CA C 13 61.5 . . . . . . . 245 THR CA . 17945 1 117 . 1 1 45 45 THR CB C 13 69.8 . . . . . . . 245 THR CB . 17945 1 118 . 1 1 45 45 THR N N 15 116.0 . . . . . . . 245 THR N . 17945 1 119 . 1 1 46 46 ALA H H 1 8.37 . . . . . . . 246 ALA H . 17945 1 120 . 1 1 46 46 ALA CA C 13 50.4 . . . . . . . 246 ALA CA . 17945 1 121 . 1 1 46 46 ALA CB C 13 18.1 . . . . . . . 246 ALA CB . 17945 1 122 . 1 1 46 46 ALA N N 15 128.1 . . . . . . . 246 ALA N . 17945 1 123 . 1 1 47 47 PRO CA C 13 62.8 . . . . . . . 247 PRO CA . 17945 1 124 . 1 1 47 47 PRO CB C 13 31.8 . . . . . . . 247 PRO CB . 17945 1 125 . 1 1 48 48 VAL H H 1 8.29 . . . . . . . 248 VAL H . 17945 1 126 . 1 1 48 48 VAL CA C 13 59.7 . . . . . . . 248 VAL CA . 17945 1 127 . 1 1 48 48 VAL CB C 13 32.5 . . . . . . . 248 VAL CB . 17945 1 128 . 1 1 48 48 VAL N N 15 122.3 . . . . . . . 248 VAL N . 17945 1 129 . 1 1 49 49 PRO CA C 13 63.0 . . . . . . . 249 PRO CA . 17945 1 130 . 1 1 49 49 PRO CB C 13 32.2 . . . . . . . 249 PRO CB . 17945 1 131 . 1 1 50 50 MET H H 1 8.49 . . . . . . . 250 MET H . 17945 1 132 . 1 1 50 50 MET CA C 13 53.3 . . . . . . . 250 MET CA . 17945 1 133 . 1 1 50 50 MET CB C 13 32.7 . . . . . . . 250 MET CB . 17945 1 134 . 1 1 50 50 MET N N 15 122.2 . . . . . . . 250 MET N . 17945 1 135 . 1 1 51 51 PRO CA C 13 63.2 . . . . . . . 251 PRO CA . 17945 1 136 . 1 1 51 51 PRO CB C 13 32.2 . . . . . . . 251 PRO CB . 17945 1 137 . 1 1 52 52 ASP H H 1 8.48 . . . . . . . 252 ASP H . 17945 1 138 . 1 1 52 52 ASP CA C 13 54.0 . . . . . . . 252 ASP CA . 17945 1 139 . 1 1 52 52 ASP CB C 13 41.0 . . . . . . . 252 ASP CB . 17945 1 140 . 1 1 52 52 ASP N N 15 120.7 . . . . . . . 252 ASP N . 17945 1 141 . 1 1 53 53 LEU H H 1 8.32 . . . . . . . 253 LEU H . 17945 1 142 . 1 1 53 53 LEU CA C 13 55.3 . . . . . . . 253 LEU CA . 17945 1 143 . 1 1 53 53 LEU CB C 13 41.9 . . . . . . . 253 LEU CB . 17945 1 144 . 1 1 53 53 LEU N N 15 123.8 . . . . . . . 253 LEU N . 17945 1 145 . 1 1 54 54 LYS H H 1 8.34 . . . . . . . 254 LYS H . 17945 1 146 . 1 1 54 54 LYS CA C 13 56.9 . . . . . . . 254 LYS CA . 17945 1 147 . 1 1 54 54 LYS CB C 13 32.5 . . . . . . . 254 LYS CB . 17945 1 148 . 1 1 54 54 LYS N N 15 120.5 . . . . . . . 254 LYS N . 17945 1 149 . 1 1 55 55 ASN H H 1 8.31 . . . . . . . 255 ASN H . 17945 1 150 . 1 1 55 55 ASN CA C 13 53.3 . . . . . . . 255 ASN CA . 17945 1 151 . 1 1 55 55 ASN N N 15 118.7 . . . . . . . 255 ASN N . 17945 1 152 . 1 1 56 56 VAL H H 1 8.00 . . . . . . . 256 VAL H . 17945 1 153 . 1 1 56 56 VAL CA C 13 62.7 . . . . . . . 256 VAL CA . 17945 1 154 . 1 1 56 56 VAL CB C 13 32.6 . . . . . . . 256 VAL CB . 17945 1 155 . 1 1 56 56 VAL N N 15 120.5 . . . . . . . 256 VAL N . 17945 1 156 . 1 1 57 57 LYS H H 1 8.47 . . . . . . . 257 LYS H . 17945 1 157 . 1 1 57 57 LYS CA C 13 56.4 . . . . . . . 257 LYS CA . 17945 1 158 . 1 1 57 57 LYS CB C 13 32.9 . . . . . . . 257 LYS CB . 17945 1 159 . 1 1 57 57 LYS N N 15 125.0 . . . . . . . 257 LYS N . 17945 1 160 . 1 1 58 58 SER H H 1 8.31 . . . . . . . 258 SER H . 17945 1 161 . 1 1 58 58 SER CA C 13 58.4 . . . . . . . 258 SER CA . 17945 1 162 . 1 1 58 58 SER CB C 13 63.9 . . . . . . . 258 SER CB . 17945 1 163 . 1 1 58 58 SER N N 15 117.1 . . . . . . . 258 SER N . 17945 1 164 . 1 1 59 59 LYS H H 1 8.45 . . . . . . . 259 LYS H . 17945 1 165 . 1 1 59 59 LYS CA C 13 56.4 . . . . . . . 259 LYS CA . 17945 1 166 . 1 1 59 59 LYS CB C 13 32.8 . . . . . . . 259 LYS CB . 17945 1 167 . 1 1 59 59 LYS N N 15 123.7 . . . . . . . 259 LYS N . 17945 1 168 . 1 1 60 60 ILE H H 1 8.22 . . . . . . . 260 ILE H . 17945 1 169 . 1 1 60 60 ILE CA C 13 61.4 . . . . . . . 260 ILE CA . 17945 1 170 . 1 1 60 60 ILE CB C 13 38.5 . . . . . . . 260 ILE CB . 17945 1 171 . 1 1 60 60 ILE N N 15 122.5 . . . . . . . 260 ILE N . 17945 1 172 . 1 1 61 61 GLY H H 1 8.59 . . . . . . . 261 GLY H . 17945 1 173 . 1 1 61 61 GLY CA C 13 45.2 . . . . . . . 261 GLY CA . 17945 1 174 . 1 1 61 61 GLY N N 15 113.6 . . . . . . . 261 GLY N . 17945 1 175 . 1 1 62 62 SER H H 1 8.29 . . . . . . . 262 SER H . 17945 1 176 . 1 1 62 62 SER CA C 13 58.4 . . . . . . . 262 SER CA . 17945 1 177 . 1 1 62 62 SER CB C 13 63.9 . . . . . . . 262 SER CB . 17945 1 178 . 1 1 62 62 SER N N 15 115.7 . . . . . . . 262 SER N . 17945 1 179 . 1 1 63 63 THR H H 1 8.39 . . . . . . . 263 THR H . 17945 1 180 . 1 1 63 63 THR CA C 13 62.2 . . . . . . . 263 THR CA . 17945 1 181 . 1 1 63 63 THR CB C 13 69.6 . . . . . . . 263 THR CB . 17945 1 182 . 1 1 63 63 THR N N 15 115.9 . . . . . . . 263 THR N . 17945 1 183 . 1 1 64 64 GLU H H 1 8.45 . . . . . . . 264 GLU H . 17945 1 184 . 1 1 64 64 GLU CA C 13 57.0 . . . . . . . 264 GLU CA . 17945 1 185 . 1 1 64 64 GLU CB C 13 30.1 . . . . . . . 264 GLU CB . 17945 1 186 . 1 1 64 64 GLU N N 15 123.1 . . . . . . . 264 GLU N . 17945 1 187 . 1 1 65 65 ASN H H 1 8.49 . . . . . . . 265 ASN H . 17945 1 188 . 1 1 65 65 ASN CA C 13 53.4 . . . . . . . 265 ASN CA . 17945 1 189 . 1 1 65 65 ASN CB C 13 38.6 . . . . . . . 265 ASN CB . 17945 1 190 . 1 1 65 65 ASN N N 15 119.5 . . . . . . . 265 ASN N . 17945 1 191 . 1 1 66 66 LEU H H 1 8.19 . . . . . . . 266 LEU H . 17945 1 192 . 1 1 66 66 LEU CA C 13 55.4 . . . . . . . 266 LEU CA . 17945 1 193 . 1 1 66 66 LEU CB C 13 42.1 . . . . . . . 266 LEU CB . 17945 1 194 . 1 1 66 66 LEU N N 15 122.4 . . . . . . . 266 LEU N . 17945 1 195 . 1 1 67 67 LYS H H 1 8.22 . . . . . . . 267 LYS H . 17945 1 196 . 1 1 67 67 LYS CA C 13 56.5 . . . . . . . 267 LYS CA . 17945 1 197 . 1 1 67 67 LYS CB C 13 32.8 . . . . . . . 267 LYS CB . 17945 1 198 . 1 1 67 67 LYS N N 15 121.1 . . . . . . . 267 LYS N . 17945 1 199 . 1 1 68 68 HIS H H 1 8.23 . . . . . . . 268 HIS H . 17945 1 200 . 1 1 68 68 HIS CA C 13 55.9 . . . . . . . 268 HIS CA . 17945 1 201 . 1 1 68 68 HIS CB C 13 30.6 . . . . . . . 268 HIS CB . 17945 1 202 . 1 1 68 68 HIS N N 15 120.2 . . . . . . . 268 HIS N . 17945 1 203 . 1 1 69 69 GLN H H 1 8.36 . . . . . . . 269 GLN H . 17945 1 204 . 1 1 69 69 GLN CA C 13 53.3 . . . . . . . 269 GLN CA . 17945 1 205 . 1 1 69 69 GLN CB C 13 28.7 . . . . . . . 269 GLN CB . 17945 1 206 . 1 1 69 69 GLN N N 15 123.2 . . . . . . . 269 GLN N . 17945 1 207 . 1 1 70 70 PRO CA C 13 63.6 . . . . . . . 270 PRO CA . 17945 1 208 . 1 1 70 70 PRO CB C 13 32.0 . . . . . . . 270 PRO CB . 17945 1 209 . 1 1 71 71 GLY H H 1 8.68 . . . . . . . 271 GLY H . 17945 1 210 . 1 1 71 71 GLY CA C 13 45.4 . . . . . . . 271 GLY CA . 17945 1 211 . 1 1 71 71 GLY N N 15 110.2 . . . . . . . 271 GLY N . 17945 1 212 . 1 1 72 72 GLY H H 1 8.4 . . . . . . . 272 GLY H . 17945 1 213 . 1 1 72 72 GLY CA C 13 45.4 . . . . . . . 272 GLY CA . 17945 1 214 . 1 1 72 72 GLY N N 15 108.8 . . . . . . . 272 GLY N . 17945 1 215 . 1 1 73 73 GLY H H 1 8.39 . . . . . . . 273 GLY H . 17945 1 216 . 1 1 73 73 GLY CA C 13 45.1 . . . . . . . 273 GLY CA . 17945 1 217 . 1 1 73 73 GLY N N 15 108.7 . . . . . . . 273 GLY N . 17945 1 218 . 1 1 74 74 LYS H H 1 8.22 . . . . . . . 274 LYS H . 17945 1 219 . 1 1 74 74 LYS CA C 13 56.4 . . . . . . . 274 LYS CA . 17945 1 220 . 1 1 74 74 LYS CB C 13 33.1 . . . . . . . 274 LYS CB . 17945 1 221 . 1 1 74 74 LYS N N 15 120.9 . . . . . . . 274 LYS N . 17945 1 222 . 1 1 75 75 VAL H H 1 8.23 . . . . . . . 275 VAL H . 17945 1 223 . 1 1 75 75 VAL CA C 13 62.3 . . . . . . . 275 VAL CA . 17945 1 224 . 1 1 75 75 VAL CB C 13 32.6 . . . . . . . 275 VAL CB . 17945 1 225 . 1 1 75 75 VAL N N 15 122.2 . . . . . . . 275 VAL N . 17945 1 226 . 1 1 76 76 GLN H H 1 8.56 . . . . . . . 276 GLN H . 17945 1 227 . 1 1 76 76 GLN CA C 13 55.6 . . . . . . . 276 GLN CA . 17945 1 228 . 1 1 76 76 GLN CB C 13 29.4 . . . . . . . 276 GLN CB . 17945 1 229 . 1 1 76 76 GLN N N 15 125.4 . . . . . . . 276 GLN N . 17945 1 230 . 1 1 77 77 ILE H H 1 8.39 . . . . . . . 277 ILE H . 17945 1 231 . 1 1 77 77 ILE CA C 13 61.0 . . . . . . . 277 ILE CA . 17945 1 232 . 1 1 77 77 ILE CB C 13 38.4 . . . . . . . 277 ILE CB . 17945 1 233 . 1 1 77 77 ILE N N 15 124.3 . . . . . . . 277 ILE N . 17945 1 234 . 1 1 78 78 ILE H H 1 8.37 . . . . . . . 278 ILE H . 17945 1 235 . 1 1 78 78 ILE CA C 13 60.8 . . . . . . . 278 ILE CA . 17945 1 236 . 1 1 78 78 ILE CB C 13 38.6 . . . . . . . 278 ILE CB . 17945 1 237 . 1 1 78 78 ILE N N 15 126.2 . . . . . . . 278 ILE N . 17945 1 238 . 1 1 79 79 ASN H H 1 8.62 . . . . . . . 279 ASN H . 17945 1 239 . 1 1 79 79 ASN CA C 13 53.0 . . . . . . . 279 ASN CA . 17945 1 240 . 1 1 79 79 ASN CB C 13 38.9 . . . . . . . 279 ASN CB . 17945 1 241 . 1 1 79 79 ASN N N 15 124.1 . . . . . . . 279 ASN N . 17945 1 242 . 1 1 80 80 LYS H H 1 8.40 . . . . . . . 280 LYS H . 17945 1 243 . 1 1 80 80 LYS CA C 13 56.4 . . . . . . . 280 LYS CA . 17945 1 244 . 1 1 80 80 LYS CB C 13 33.1 . . . . . . . 280 LYS CB . 17945 1 245 . 1 1 80 80 LYS N N 15 123.1 . . . . . . . 280 LYS N . 17945 1 246 . 1 1 81 81 LYS H H 1 8.37 . . . . . . . 281 LYS H . 17945 1 247 . 1 1 81 81 LYS CA C 13 56.4 . . . . . . . 281 LYS CA . 17945 1 248 . 1 1 81 81 LYS CB C 13 32.7 . . . . . . . 281 LYS CB . 17945 1 249 . 1 1 81 81 LYS N N 15 122.8 . . . . . . . 281 LYS N . 17945 1 250 . 1 1 82 82 LEU H H 1 8.24 . . . . . . . 282 LEU H . 17945 1 251 . 1 1 82 82 LEU CA C 13 55.1 . . . . . . . 282 LEU CA . 17945 1 252 . 1 1 82 82 LEU CB C 13 42.4 . . . . . . . 282 LEU CB . 17945 1 253 . 1 1 82 82 LEU N N 15 123.8 . . . . . . . 282 LEU N . 17945 1 254 . 1 1 83 83 ASP H H 1 8.41 . . . . . . . 283 ASP H . 17945 1 255 . 1 1 83 83 ASP CA C 13 53.8 . . . . . . . 283 ASP CA . 17945 1 256 . 1 1 83 83 ASP CB C 13 41.0 . . . . . . . 283 ASP CB . 17945 1 257 . 1 1 83 83 ASP N N 15 122.2 . . . . . . . 283 ASP N . 17945 1 258 . 1 1 84 84 LEU H H 1 8.41 . . . . . . . 284 LEU H . 17945 1 259 . 1 1 84 84 LEU CA C 13 55.1 . . . . . . . 284 LEU CA . 17945 1 260 . 1 1 84 84 LEU CB C 13 41.6 . . . . . . . 284 LEU CB . 17945 1 261 . 1 1 84 84 LEU N N 15 124.1 . . . . . . . 284 LEU N . 17945 1 262 . 1 1 85 85 SER H H 1 8.42 . . . . . . . 285 SER H . 17945 1 263 . 1 1 85 85 SER CA C 13 59.5 . . . . . . . 285 SER CA . 17945 1 264 . 1 1 85 85 SER CB C 13 63.6 . . . . . . . 285 SER CB . 17945 1 265 . 1 1 85 85 SER N N 15 116.1 . . . . . . . 285 SER N . 17945 1 266 . 1 1 86 86 ASN H H 1 8.36 . . . . . . . 286 ASN H . 17945 1 267 . 1 1 86 86 ASN CA C 13 53.3 . . . . . . . 286 ASN CA . 17945 1 268 . 1 1 86 86 ASN CB C 13 38.8 . . . . . . . 286 ASN CB . 17945 1 269 . 1 1 86 86 ASN N N 15 120.5 . . . . . . . 286 ASN N . 17945 1 270 . 1 1 87 87 VAL H H 1 8.01 . . . . . . . 287 VAL H . 17945 1 271 . 1 1 87 87 VAL CA C 13 63.0 . . . . . . . 287 VAL CA . 17945 1 272 . 1 1 87 87 VAL CB C 13 32.6 . . . . . . . 287 VAL CB . 17945 1 273 . 1 1 87 87 VAL N N 15 120.2 . . . . . . . 287 VAL N . 17945 1 274 . 1 1 88 88 GLN H H 1 8.51 . . . . . . . 288 GLN H . 17945 1 275 . 1 1 88 88 GLN CA C 13 56.1 . . . . . . . 288 GLN CA . 17945 1 276 . 1 1 88 88 GLN CB C 13 29.3 . . . . . . . 288 GLN CB . 17945 1 277 . 1 1 88 88 GLN N N 15 123.7 . . . . . . . 288 GLN N . 17945 1 278 . 1 1 89 89 SER H H 1 8.38 . . . . . . . 289 SER H . 17945 1 279 . 1 1 89 89 SER CA C 13 58.6 . . . . . . . 289 SER CA . 17945 1 280 . 1 1 89 89 SER CB C 13 63.8 . . . . . . . 289 SER CB . 17945 1 281 . 1 1 89 89 SER N N 15 117.2 . . . . . . . 289 SER N . 17945 1 282 . 1 1 90 90 LYS H H 1 8.46 . . . . . . . 290 LYS H . 17945 1 283 . 1 1 90 90 LYS CA C 13 56.5 . . . . . . . 290 LYS CA . 17945 1 284 . 1 1 90 90 LYS CB C 13 32.9 . . . . . . . 290 LYS CB . 17945 1 285 . 1 1 90 90 LYS N N 15 123.4 . . . . . . . 290 LYS N . 17945 1 286 . 1 1 91 91 CYS H H 1 8.42 . . . . . . . 291 CYS H . 17945 1 287 . 1 1 91 91 CYS CA C 13 58.8 . . . . . . . 291 CYS CA . 17945 1 288 . 1 1 91 91 CYS CB C 13 28.0 . . . . . . . 291 CYS CB . 17945 1 289 . 1 1 91 91 CYS N N 15 120.2 . . . . . . . 291 CYS N . 17945 1 290 . 1 1 92 92 GLY H H 1 8.57 . . . . . . . 292 GLY H . 17945 1 291 . 1 1 92 92 GLY CA C 13 45.4 . . . . . . . 292 GLY CA . 17945 1 292 . 1 1 92 92 GLY N N 15 111.8 . . . . . . . 292 GLY N . 17945 1 293 . 1 1 93 93 SER H H 1 8.30 . . . . . . . 293 SER H . 17945 1 294 . 1 1 93 93 SER CA C 13 58.4 . . . . . . . 293 SER CA . 17945 1 295 . 1 1 93 93 SER CB C 13 63.9 . . . . . . . 293 SER CB . 17945 1 296 . 1 1 93 93 SER N N 15 115.8 . . . . . . . 293 SER N . 17945 1 297 . 1 1 94 94 LYS H H 1 8.54 . . . . . . . 294 LYS H . 17945 1 298 . 1 1 94 94 LYS CA C 13 56.6 . . . . . . . 294 LYS CA . 17945 1 299 . 1 1 94 94 LYS CB C 13 32.8 . . . . . . . 294 LYS CB . 17945 1 300 . 1 1 94 94 LYS N N 15 123.2 . . . . . . . 294 LYS N . 17945 1 301 . 1 1 95 95 ASP H H 1 8.26 . . . . . . . 295 ASP H . 17945 1 302 . 1 1 95 95 ASP CA C 13 54.6 . . . . . . . 295 ASP CA . 17945 1 303 . 1 1 95 95 ASP CB C 13 41.1 . . . . . . . 295 ASP CB . 17945 1 304 . 1 1 95 95 ASP N N 15 120.5 . . . . . . . 295 ASP N . 17945 1 305 . 1 1 96 96 ASN H H 1 8.35 . . . . . . . 296 ASN H . 17945 1 306 . 1 1 96 96 ASN CA C 13 53.3 . . . . . . . 296 ASN CA . 17945 1 307 . 1 1 96 96 ASN CB C 13 38.6 . . . . . . . 296 ASN CB . 17945 1 308 . 1 1 96 96 ASN N N 15 118.8 . . . . . . . 296 ASN N . 17945 1 309 . 1 1 97 97 ILE H H 1 8.03 . . . . . . . 297 ILE H . 17945 1 310 . 1 1 97 97 ILE CA C 13 61.3 . . . . . . . 297 ILE CA . 17945 1 311 . 1 1 97 97 ILE CB C 13 38.4 . . . . . . . 297 ILE CB . 17945 1 312 . 1 1 97 97 ILE N N 15 121.0 . . . . . . . 297 ILE N . 17945 1 313 . 1 1 98 98 LYS H H 1 8.37 . . . . . . . 298 LYS H . 17945 1 314 . 1 1 98 98 LYS CA C 13 55.9 . . . . . . . 298 LYS CA . 17945 1 315 . 1 1 98 98 LYS CB C 13 32.8 . . . . . . . 298 LYS CB . 17945 1 316 . 1 1 98 98 LYS N N 15 125.4 . . . . . . . 298 LYS N . 17945 1 317 . 1 1 99 99 HIS H H 1 8.40 . . . . . . . 299 HIS H . 17945 1 318 . 1 1 99 99 HIS CA C 13 55.8 . . . . . . . 299 HIS CA . 17945 1 319 . 1 1 99 99 HIS CB C 13 30.7 . . . . . . . 299 HIS CB . 17945 1 320 . 1 1 99 99 HIS N N 15 122.1 . . . . . . . 299 HIS N . 17945 1 321 . 1 1 100 100 VAL H H 1 8.21 . . . . . . . 300 VAL H . 17945 1 322 . 1 1 100 100 VAL CA C 13 59.5 . . . . . . . 300 VAL CA . 17945 1 323 . 1 1 100 100 VAL CB C 13 32.6 . . . . . . . 300 VAL CB . 17945 1 324 . 1 1 100 100 VAL N N 15 124.2 . . . . . . . 300 VAL N . 17945 1 325 . 1 1 101 101 PRO CA C 13 63.6 . . . . . . . 301 PRO CA . 17945 1 326 . 1 1 101 101 PRO CB C 13 32.0 . . . . . . . 301 PRO CB . 17945 1 327 . 1 1 102 102 GLY H H 1 8.66 . . . . . . . 302 GLY H . 17945 1 328 . 1 1 102 102 GLY CA C 13 45.4 . . . . . . . 302 GLY CA . 17945 1 329 . 1 1 102 102 GLY N N 15 110.4 . . . . . . . 302 GLY N . 17945 1 330 . 1 1 103 103 GLY H H 1 8.41 . . . . . . . 303 GLY H . 17945 1 331 . 1 1 103 103 GLY CA C 13 45.4 . . . . . . . 303 GLY CA . 17945 1 332 . 1 1 103 103 GLY N N 15 108.9 . . . . . . . 303 GLY N . 17945 1 333 . 1 1 104 104 GLY H H 1 8.41 . . . . . . . 304 GLY H . 17945 1 334 . 1 1 104 104 GLY CA C 13 45.2 . . . . . . . 304 GLY CA . 17945 1 335 . 1 1 104 104 GLY N N 15 108.9 . . . . . . . 304 GLY N . 17945 1 336 . 1 1 105 105 SER H H 1 8.30 . . . . . . . 305 SER H . 17945 1 337 . 1 1 105 105 SER CA C 13 58.3 . . . . . . . 305 SER CA . 17945 1 338 . 1 1 105 105 SER CB C 13 64.0 . . . . . . . 305 SER CB . 17945 1 339 . 1 1 105 105 SER N N 15 115.7 . . . . . . . 305 SER N . 17945 1 340 . 1 1 106 106 VAL H H 1 8.22 . . . . . . . 306 VAL H . 17945 1 341 . 1 1 106 106 VAL CA C 13 62.3 . . . . . . . 306 VAL CA . 17945 1 342 . 1 1 106 106 VAL CB C 13 32.8 . . . . . . . 306 VAL CB . 17945 1 343 . 1 1 106 106 VAL N N 15 121.8 . . . . . . . 306 VAL N . 17945 1 344 . 1 1 107 107 GLN H H 1 8.50 . . . . . . . 307 GLN H . 17945 1 345 . 1 1 107 107 GLN CA C 13 55.6 . . . . . . . 307 GLN CA . 17945 1 346 . 1 1 107 107 GLN CB C 13 29.4 . . . . . . . 307 GLN CB . 17945 1 347 . 1 1 107 107 GLN N N 15 124.9 . . . . . . . 307 GLN N . 17945 1 348 . 1 1 108 108 ILE H H 1 8.33 . . . . . . . 308 ILE H . 17945 1 349 . 1 1 108 108 ILE CA C 13 61.0 . . . . . . . 308 ILE CA . 17945 1 350 . 1 1 108 108 ILE CB C 13 38.5 . . . . . . . 308 ILE CB . 17945 1 351 . 1 1 108 108 ILE N N 15 124.3 . . . . . . . 308 ILE N . 17945 1 352 . 1 1 109 109 VAL H H 1 8.25 . . . . . . . 309 VAL H . 17945 1 353 . 1 1 109 109 VAL CA C 13 61.8 . . . . . . . 309 VAL CA . 17945 1 354 . 1 1 109 109 VAL CB C 13 32.8 . . . . . . . 309 VAL CB . 17945 1 355 . 1 1 109 109 VAL N N 15 125.7 . . . . . . . 309 VAL N . 17945 1 356 . 1 1 110 110 TYR H H 1 8.50 . . . . . . . 310 TYR H . 17945 1 357 . 1 1 110 110 TYR CA C 13 57.9 . . . . . . . 310 TYR CA . 17945 1 358 . 1 1 110 110 TYR CB C 13 38.9 . . . . . . . 310 TYR CB . 17945 1 359 . 1 1 110 110 TYR N N 15 126.4 . . . . . . . 310 TYR N . 17945 1 360 . 1 1 111 111 LYS H H 1 8.22 . . . . . . . 311 LYS H . 17945 1 361 . 1 1 111 111 LYS CA C 13 53.5 . . . . . . . 311 LYS CA . 17945 1 362 . 1 1 111 111 LYS CB C 13 32.8 . . . . . . . 311 LYS CB . 17945 1 363 . 1 1 111 111 LYS N N 15 126.1 . . . . . . . 311 LYS N . 17945 1 364 . 1 1 112 112 PRO CA C 13 62.8 . . . . . . . 312 PRO CA . 17945 1 365 . 1 1 112 112 PRO CB C 13 32.0 . . . . . . . 312 PRO CB . 17945 1 366 . 1 1 113 113 VAL H H 1 8.24 . . . . . . . 313 VAL H . 17945 1 367 . 1 1 113 113 VAL CA C 13 62.3 . . . . . . . 313 VAL CA . 17945 1 368 . 1 1 113 113 VAL CB C 13 32.8 . . . . . . . 313 VAL CB . 17945 1 369 . 1 1 113 113 VAL N N 15 120.6 . . . . . . . 313 VAL N . 17945 1 370 . 1 1 114 114 ASP H H 1 8.44 . . . . . . . 314 ASP H . 17945 1 371 . 1 1 114 114 ASP CA C 13 53.5 . . . . . . . 314 ASP CA . 17945 1 372 . 1 1 114 114 ASP CB C 13 40.8 . . . . . . . 314 ASP CB . 17945 1 373 . 1 1 114 114 ASP N N 15 124.5 . . . . . . . 314 ASP N . 17945 1 374 . 1 1 115 115 LEU H H 1 8.58 . . . . . . . 315 LEU H . 17945 1 375 . 1 1 115 115 LEU CA C 13 55.3 . . . . . . . 315 LEU CA . 17945 1 376 . 1 1 115 115 LEU CB C 13 41.6 . . . . . . . 315 LEU CB . 17945 1 377 . 1 1 115 115 LEU N N 15 125.4 . . . . . . . 315 LEU N . 17945 1 378 . 1 1 116 116 SER H H 1 8.47 . . . . . . . 316 SER H . 17945 1 379 . 1 1 116 116 SER CA C 13 59.8 . . . . . . . 316 SER CA . 17945 1 380 . 1 1 116 116 SER CB C 13 63.7 . . . . . . . 316 SER CB . 17945 1 381 . 1 1 116 116 SER N N 15 116.2 . . . . . . . 316 SER N . 17945 1 382 . 1 1 117 117 LYS H H 1 8.01 . . . . . . . 317 LYS H . 17945 1 383 . 1 1 117 117 LYS CA C 13 56.1 . . . . . . . 317 LYS CA . 17945 1 384 . 1 1 117 117 LYS CB C 13 32.9 . . . . . . . 317 LYS CB . 17945 1 385 . 1 1 117 117 LYS N N 15 122.1 . . . . . . . 317 LYS N . 17945 1 386 . 1 1 118 118 VAL H H 1 7.97 . . . . . . . 318 VAL H . 17945 1 387 . 1 1 118 118 VAL CA C 13 62.7 . . . . . . . 318 VAL CA . 17945 1 388 . 1 1 118 118 VAL CB C 13 32.7 . . . . . . . 318 VAL CB . 17945 1 389 . 1 1 118 118 VAL N N 15 121.2 . . . . . . . 318 VAL N . 17945 1 390 . 1 1 119 119 THR H H 1 8.32 . . . . . . . 319 THR H . 17945 1 391 . 1 1 119 119 THR CA C 13 61.8 . . . . . . . 319 THR CA . 17945 1 392 . 1 1 119 119 THR CB C 13 70.0 . . . . . . . 319 THR CB . 17945 1 393 . 1 1 119 119 THR N N 15 118.1 . . . . . . . 319 THR N . 17945 1 394 . 1 1 120 120 SER H H 1 8.37 . . . . . . . 320 SER H . 17945 1 395 . 1 1 120 120 SER CA C 13 58.2 . . . . . . . 320 SER CA . 17945 1 396 . 1 1 120 120 SER CB C 13 64.0 . . . . . . . 320 SER CB . 17945 1 397 . 1 1 120 120 SER N N 15 118.6 . . . . . . . 320 SER N . 17945 1 398 . 1 1 121 121 LYS H H 1 8.51 . . . . . . . 321 LYS H . 17945 1 399 . 1 1 121 121 LYS CA C 13 56.4 . . . . . . . 321 LYS CA . 17945 1 400 . 1 1 121 121 LYS CB C 13 33.0 . . . . . . . 321 LYS CB . 17945 1 401 . 1 1 121 121 LYS N N 15 123.7 . . . . . . . 321 LYS N . 17945 1 402 . 1 1 122 122 SER H H 1 8.47 . . . . . . . 322 SER H . 17945 1 403 . 1 1 122 122 SER CA C 13 58.4 . . . . . . . 322 SER CA . 17945 1 404 . 1 1 122 122 SER CB C 13 63.9 . . . . . . . 322 SER CB . 17945 1 405 . 1 1 122 122 SER N N 15 117.4 . . . . . . . 322 SER N . 17945 1 406 . 1 1 123 123 GLY H H 1 8.49 . . . . . . . 323 GLY H . 17945 1 407 . 1 1 123 123 GLY CA C 13 45.2 . . . . . . . 323 GLY CA . 17945 1 408 . 1 1 123 123 GLY N N 15 111.9 . . . . . . . 323 GLY N . 17945 1 409 . 1 1 124 124 SER H H 1 7.97 . . . . . . . 324 SER H . 17945 1 410 . 1 1 124 124 SER CA C 13 59.9 . . . . . . . 324 SER CA . 17945 1 411 . 1 1 124 124 SER CB C 13 64.9 . . . . . . . 324 SER CB . 17945 1 412 . 1 1 124 124 SER N N 15 121.4 . . . . . . . 324 SER N . 17945 1 stop_ save_