data_11545 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11545 _Entry.Title ; Backbone 1H, 13C, and 15N chemical shift assignment for aqMutL-CTD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-26 _Entry.Accession_date 2013-11-26 _Entry.Last_release_date 2013-11-26 _Entry.Original_release_date 2013-11-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ryota Mizushima . . . . 11545 2 Young-Ho Lee . . . . 11545 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute for Protein Research; Osaka University' . 11545 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11545 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 283 11545 '15N chemical shifts' 98 11545 '1H chemical shifts' 98 11545 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 . . 2017-03-13 . original BMRB . 11545 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11545 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24901533 _Citation.Full_citation . _Citation.Title ; NMR characterization of the interaction of the endonuclease domain of MutL with divalent metal ions and ATP ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 9 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1932-6203 _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 e98554 _Citation.Page_last e98554 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ryota Mizushima R. . . . 11545 1 2 'Ju Yaen' Kim J. Y. . . 11545 1 3 Isao Suetake I. . . . 11545 1 4 Hiroaki Tanaka H. . . . 11545 1 5 Tomoyo Takai T. . . . 11545 1 6 Narutoshi Kamiya N. . . . 11545 1 7 Yu Takano Y. . . . 11545 1 8 Yuichi Mishima Y. . . . 11545 1 9 Shoji Tajima S. . . . 11545 1 10 Yuji Goto Y. . . . 11545 1 11 Kenji Fukui K. . . . 11545 1 12 Young-Ho Lee Y. H. . . 11545 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ATP 11545 1 MMR 11545 1 MutL 11545 1 NMR 11545 1 endonuclease 11545 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11545 _Assembly.ID 1 _Assembly.Name 'aqMutL-CTD homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 26600 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C-terminal domain, chain 1' 1 $aqMutL-CTD_homodimer A . yes native no no . . . 11545 1 2 'C-terminal domain, chain 2' 1 $aqMutL-CTD_homodimer B . yes native no no . . . 11545 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID endonuclease 11545 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_aqMutL-CTD_homodimer _Entity.Sf_category entity _Entity.Sf_framecode aqMutL-CTD_homodimer _Entity.Entry_ID 11545 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name aqMutL-CTD_homodimer _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 ; PLSQPVKTYKPTYEILGQMD ETFILVKDSEYLYFVDQHLL EERINYEKLKDENLACRISV KAGQKLSEEKIRELIKTWRN LENPHVCPHGRPIYYKIPLR EIYEKVGRNY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'C-terminal endonuclease domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'C-terminal domain of MutL is stably dimerized in solution.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID endonuclease 11545 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 1 316 PRO . 11545 1 2 317 LEU . 11545 1 3 318 SER . 11545 1 4 319 GLN . 11545 1 5 320 PRO . 11545 1 6 321 VAL . 11545 1 7 322 LYS . 11545 1 8 323 THR . 11545 1 9 324 TYR . 11545 1 10 325 LYS . 11545 1 11 326 PRO . 11545 1 12 327 THR . 11545 1 13 328 TYR . 11545 1 14 329 GLU . 11545 1 15 330 ILE . 11545 1 16 331 LEU . 11545 1 17 332 GLY . 11545 1 18 333 GLN . 11545 1 19 334 MET . 11545 1 20 335 ASP . 11545 1 21 336 GLU . 11545 1 22 337 THR . 11545 1 23 338 PHE . 11545 1 24 339 ILE . 11545 1 25 340 LEU . 11545 1 26 341 VAL . 11545 1 27 342 LYS . 11545 1 28 343 ASP . 11545 1 29 344 SER . 11545 1 30 345 GLU . 11545 1 31 346 TYR . 11545 1 32 347 LEU . 11545 1 33 348 TYR . 11545 1 34 349 PHE . 11545 1 35 350 VAL . 11545 1 36 351 ASP . 11545 1 37 352 GLN . 11545 1 38 353 HIS . 11545 1 39 354 LEU . 11545 1 40 355 LEU . 11545 1 41 356 GLU . 11545 1 42 357 GLU . 11545 1 43 358 ARG . 11545 1 44 359 ILE . 11545 1 45 360 ASN . 11545 1 46 361 TYR . 11545 1 47 362 GLU . 11545 1 48 363 LYS . 11545 1 49 364 LEU . 11545 1 50 365 LYS . 11545 1 51 366 ASP . 11545 1 52 367 GLU . 11545 1 53 368 ASN . 11545 1 54 369 LEU . 11545 1 55 370 ALA . 11545 1 56 371 CYS . 11545 1 57 372 ARG . 11545 1 58 373 ILE . 11545 1 59 374 SER . 11545 1 60 375 VAL . 11545 1 61 376 LYS . 11545 1 62 377 ALA . 11545 1 63 378 GLY . 11545 1 64 379 GLN . 11545 1 65 380 LYS . 11545 1 66 381 LEU . 11545 1 67 382 SER . 11545 1 68 383 GLU . 11545 1 69 384 GLU . 11545 1 70 385 LYS . 11545 1 71 386 ILE . 11545 1 72 387 ARG . 11545 1 73 388 GLU . 11545 1 74 389 LEU . 11545 1 75 390 ILE . 11545 1 76 391 LYS . 11545 1 77 392 THR . 11545 1 78 393 TRP . 11545 1 79 394 ARG . 11545 1 80 395 ASN . 11545 1 81 396 LEU . 11545 1 82 397 GLU . 11545 1 83 398 ASN . 11545 1 84 399 PRO . 11545 1 85 400 HIS . 11545 1 86 401 VAL . 11545 1 87 402 CYS . 11545 1 88 403 PRO . 11545 1 89 404 HIS . 11545 1 90 405 GLY . 11545 1 91 406 ARG . 11545 1 92 407 PRO . 11545 1 93 408 ILE . 11545 1 94 409 TYR . 11545 1 95 410 TYR . 11545 1 96 411 LYS . 11545 1 97 412 ILE . 11545 1 98 413 PRO . 11545 1 99 414 LEU . 11545 1 100 415 ARG . 11545 1 101 416 GLU . 11545 1 102 417 ILE . 11545 1 103 418 TYR . 11545 1 104 419 GLU . 11545 1 105 420 LYS . 11545 1 106 421 VAL . 11545 1 107 422 GLY . 11545 1 108 423 ARG . 11545 1 109 424 ASN . 11545 1 110 425 TYR . 11545 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 . PRO 1 1 11545 1 . LEU 2 2 11545 1 . SER 3 3 11545 1 . GLN 4 4 11545 1 . PRO 5 5 11545 1 . VAL 6 6 11545 1 . LYS 7 7 11545 1 . THR 8 8 11545 1 . TYR 9 9 11545 1 . LYS 10 10 11545 1 . PRO 11 11 11545 1 . THR 12 12 11545 1 . TYR 13 13 11545 1 . GLU 14 14 11545 1 . ILE 15 15 11545 1 . LEU 16 16 11545 1 . GLY 17 17 11545 1 . GLN 18 18 11545 1 . MET 19 19 11545 1 . ASP 20 20 11545 1 . GLU 21 21 11545 1 . THR 22 22 11545 1 . PHE 23 23 11545 1 . ILE 24 24 11545 1 . LEU 25 25 11545 1 . VAL 26 26 11545 1 . LYS 27 27 11545 1 . ASP 28 28 11545 1 . SER 29 29 11545 1 . GLU 30 30 11545 1 . TYR 31 31 11545 1 . LEU 32 32 11545 1 . TYR 33 33 11545 1 . PHE 34 34 11545 1 . VAL 35 35 11545 1 . ASP 36 36 11545 1 . GLN 37 37 11545 1 . HIS 38 38 11545 1 . LEU 39 39 11545 1 . LEU 40 40 11545 1 . GLU 41 41 11545 1 . GLU 42 42 11545 1 . ARG 43 43 11545 1 . ILE 44 44 11545 1 . ASN 45 45 11545 1 . TYR 46 46 11545 1 . GLU 47 47 11545 1 . LYS 48 48 11545 1 . LEU 49 49 11545 1 . LYS 50 50 11545 1 . ASP 51 51 11545 1 . GLU 52 52 11545 1 . ASN 53 53 11545 1 . LEU 54 54 11545 1 . ALA 55 55 11545 1 . CYS 56 56 11545 1 . ARG 57 57 11545 1 . ILE 58 58 11545 1 . SER 59 59 11545 1 . VAL 60 60 11545 1 . LYS 61 61 11545 1 . ALA 62 62 11545 1 . GLY 63 63 11545 1 . GLN 64 64 11545 1 . LYS 65 65 11545 1 . LEU 66 66 11545 1 . SER 67 67 11545 1 . GLU 68 68 11545 1 . GLU 69 69 11545 1 . LYS 70 70 11545 1 . ILE 71 71 11545 1 . ARG 72 72 11545 1 . GLU 73 73 11545 1 . LEU 74 74 11545 1 . ILE 75 75 11545 1 . LYS 76 76 11545 1 . THR 77 77 11545 1 . TRP 78 78 11545 1 . ARG 79 79 11545 1 . ASN 80 80 11545 1 . LEU 81 81 11545 1 . GLU 82 82 11545 1 . ASN 83 83 11545 1 . PRO 84 84 11545 1 . HIS 85 85 11545 1 . VAL 86 86 11545 1 . CYS 87 87 11545 1 . PRO 88 88 11545 1 . HIS 89 89 11545 1 . GLY 90 90 11545 1 . ARG 91 91 11545 1 . PRO 92 92 11545 1 . ILE 93 93 11545 1 . TYR 94 94 11545 1 . TYR 95 95 11545 1 . LYS 96 96 11545 1 . ILE 97 97 11545 1 . PRO 98 98 11545 1 . LEU 99 99 11545 1 . ARG 100 100 11545 1 . GLU 101 101 11545 1 . ILE 102 102 11545 1 . TYR 103 103 11545 1 . GLU 104 104 11545 1 . LYS 105 105 11545 1 . VAL 106 106 11545 1 . GLY 107 107 11545 1 . ARG 108 108 11545 1 . ASN 109 109 11545 1 . TYR 110 110 11545 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 11545 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $aqMutL-CTD_homodimer . 63363 organism . 'Aquifex aeolicus' 'Aquifex aeolicus' . . Bacteria . Aquifex aeolicus . . . . . . . . . . . . . 11545 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 11545 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $aqMutL-CTD_homodimer . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . pET-11a . . . 11545 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11545 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MutL '[U-98% 13C; U-99% 15N]' . . 1 $aqMutL-CTD_homodimer . protein 500 . . uM . . . . 11545 1 2 'potassium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 11545 1 3 'potassium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11545 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 11545 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 11545 1 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 11545 1 7 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11545 1 8 D2O 'natural abundance' . . . . . solvent 10 . . % . . . . 11545 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11545 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 11545 1 pH 6.8 . pH 11545 1 pressure 1 . atm 11545 1 temperature 313 . K 11545 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe;_SPARKY _Software.Sf_category software _Software.Sf_framecode NMRPipe;_SPARKY _Software.Entry_ID 11545 _Software.ID 1 _Software.Name NMRPipe;_SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11545 1 Goddard . . 11545 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11545 1 'peak picking' 11545 1 processing 11545 1 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 11545 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11545 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 11545 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 11545 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11545 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11545 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11545 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11545 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11545 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11545 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.849 internal indirect 0.25144953 . . . . . 11545 1 H 1 water protons . . . . ppm 4.849 internal direct 1 . . . . . 11545 1 N 15 water protons . . . . ppm 4.849 internal indirect 0.101329118 . . . . . 11545 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 11545 _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' 1 $sample_1 isotropic 11545 1 2 '3D HNCO' 1 $sample_1 isotropic 11545 1 3 '3D HN(CA)CO' 1 $sample_1 isotropic 11545 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11545 1 5 '3D HNCACB' 1 $sample_1 isotropic 11545 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 H H 1 8.31 . . . . . . . 318 SER H . 11545 1 2 . 1 1 3 3 SER C C 13 174 . . . . . . . 318 SER C . 11545 1 3 . 1 1 3 3 SER CB C 13 63.88 . . . . . . . 318 SER CB . 11545 1 4 . 1 1 3 3 SER N N 15 117 . . . . . . . 318 SER N . 11545 1 5 . 1 1 4 4 GLN H H 1 8.21 . . . . . . . 319 GLN H . 11545 1 6 . 1 1 4 4 GLN C C 13 173.84 . . . . . . . 319 GLN C . 11545 1 7 . 1 1 4 4 GLN CA C 13 53.73 . . . . . . . 319 GLN CA . 11545 1 8 . 1 1 4 4 GLN CB C 13 29.34 . . . . . . . 319 GLN CB . 11545 1 9 . 1 1 4 4 GLN N N 15 122.61 . . . . . . . 319 GLN N . 11545 1 10 . 1 1 5 5 PRO C C 13 176.77 . . . . . . . 320 PRO C . 11545 1 11 . 1 1 5 5 PRO CA C 13 63.15 . . . . . . . 320 PRO CA . 11545 1 12 . 1 1 5 5 PRO CB C 13 32.13 . . . . . . . 320 PRO CB . 11545 1 13 . 1 1 6 6 VAL H H 1 8.11 . . . . . . . 321 VAL H . 11545 1 14 . 1 1 6 6 VAL C C 13 176.2 . . . . . . . 321 VAL C . 11545 1 15 . 1 1 6 6 VAL CA C 13 62.5 . . . . . . . 321 VAL CA . 11545 1 16 . 1 1 6 6 VAL CB C 13 32.7 . . . . . . . 321 VAL CB . 11545 1 17 . 1 1 6 6 VAL N N 15 120.27 . . . . . . . 321 VAL N . 11545 1 18 . 1 1 7 7 LYS H H 1 8.3 . . . . . . . 322 LYS H . 11545 1 19 . 1 1 7 7 LYS C C 13 176.3 . . . . . . . 322 LYS C . 11545 1 20 . 1 1 7 7 LYS CA C 13 56.3 . . . . . . . 322 LYS CA . 11545 1 21 . 1 1 7 7 LYS CB C 13 33.12 . . . . . . . 322 LYS CB . 11545 1 22 . 1 1 7 7 LYS N N 15 125 . . . . . . . 322 LYS N . 11545 1 23 . 1 1 8 8 THR H H 1 7.98 . . . . . . . 323 THR H . 11545 1 24 . 1 1 8 8 THR C C 13 173.8 . . . . . . . 323 THR C . 11545 1 25 . 1 1 8 8 THR CA C 13 61.59 . . . . . . . 323 THR CA . 11545 1 26 . 1 1 8 8 THR CB C 13 69.91 . . . . . . . 323 THR CB . 11545 1 27 . 1 1 8 8 THR N N 15 115.37 . . . . . . . 323 THR N . 11545 1 28 . 1 1 9 9 TYR H H 1 8.16 . . . . . . . 324 TYR H . 11545 1 29 . 1 1 9 9 TYR C C 13 174.92 . . . . . . . 324 TYR C . 11545 1 30 . 1 1 9 9 TYR CA C 13 57.85 . . . . . . . 324 TYR CA . 11545 1 31 . 1 1 9 9 TYR CB C 13 39.05 . . . . . . . 324 TYR CB . 11545 1 32 . 1 1 9 9 TYR N N 15 123.11 . . . . . . . 324 TYR N . 11545 1 33 . 1 1 10 10 LYS H H 1 8.02 . . . . . . . 325 LYS H . 11545 1 34 . 1 1 10 10 LYS C C 13 173.78 . . . . . . . 325 LYS C . 11545 1 35 . 1 1 10 10 LYS CA C 13 53.74 . . . . . . . 325 LYS CA . 11545 1 36 . 1 1 10 10 LYS CB C 13 33.03 . . . . . . . 325 LYS CB . 11545 1 37 . 1 1 10 10 LYS N N 15 125.25 . . . . . . . 325 LYS N . 11545 1 38 . 1 1 11 11 PRO C C 13 176.77 . . . . . . . 326 PRO C . 11545 1 39 . 1 1 11 11 PRO CA C 13 62.83 . . . . . . . 326 PRO CA . 11545 1 40 . 1 1 11 11 PRO CB C 13 32.27 . . . . . . . 326 PRO CB . 11545 1 41 . 1 1 12 12 THR H H 1 8.17 . . . . . . . 327 THR H . 11545 1 42 . 1 1 12 12 THR C C 13 173.72 . . . . . . . 327 THR C . 11545 1 43 . 1 1 12 12 THR CA C 13 62.66 . . . . . . . 327 THR CA . 11545 1 44 . 1 1 12 12 THR CB C 13 69.72 . . . . . . . 327 THR CB . 11545 1 45 . 1 1 12 12 THR N N 15 114.85 . . . . . . . 327 THR N . 11545 1 46 . 1 1 13 13 TYR H H 1 7.56 . . . . . . . 328 TYR H . 11545 1 47 . 1 1 13 13 TYR C C 13 174.46 . . . . . . . 328 TYR C . 11545 1 48 . 1 1 13 13 TYR CA C 13 56.63 . . . . . . . 328 TYR CA . 11545 1 49 . 1 1 13 13 TYR CB C 13 40.14 . . . . . . . 328 TYR CB . 11545 1 50 . 1 1 13 13 TYR N N 15 117.67 . . . . . . . 328 TYR N . 11545 1 51 . 1 1 14 14 GLU H H 1 9.22 . . . . . . . 329 GLU H . 11545 1 52 . 1 1 14 14 GLU C C 13 175.33 . . . . . . . 329 GLU C . 11545 1 53 . 1 1 14 14 GLU CA C 13 55.19 . . . . . . . 329 GLU CA . 11545 1 54 . 1 1 14 14 GLU CB C 13 33.19 . . . . . . . 329 GLU CB . 11545 1 55 . 1 1 14 14 GLU N N 15 120.81 . . . . . . . 329 GLU N . 11545 1 56 . 1 1 15 15 ILE H H 1 9.01 . . . . . . . 330 ILE H . 11545 1 57 . 1 1 15 15 ILE C C 13 176.31 . . . . . . . 330 ILE C . 11545 1 58 . 1 1 15 15 ILE CA C 13 61.98 . . . . . . . 330 ILE CA . 11545 1 59 . 1 1 15 15 ILE CB C 13 38.74 . . . . . . . 330 ILE CB . 11545 1 60 . 1 1 15 15 ILE N N 15 125.63 . . . . . . . 330 ILE N . 11545 1 61 . 1 1 16 16 LEU H H 1 8.91 . . . . . . . 331 LEU H . 11545 1 62 . 1 1 16 16 LEU CA C 13 55.68 . . . . . . . 331 LEU CA . 11545 1 63 . 1 1 16 16 LEU CB C 13 43.03 . . . . . . . 331 LEU CB . 11545 1 64 . 1 1 16 16 LEU N N 15 127.61 . . . . . . . 331 LEU N . 11545 1 65 . 1 1 17 17 GLY H H 1 7.18 . . . . . . . 332 GLY H . 11545 1 66 . 1 1 17 17 GLY C C 13 171.11 . . . . . . . 332 GLY C . 11545 1 67 . 1 1 17 17 GLY CA C 13 44.73 . . . . . . . 332 GLY CA . 11545 1 68 . 1 1 17 17 GLY N N 15 102.6 . . . . . . . 332 GLY N . 11545 1 69 . 1 1 18 18 GLN H H 1 8.74 . . . . . . . 333 GLN H . 11545 1 70 . 1 1 18 18 GLN C C 13 174.22 . . . . . . . 333 GLN C . 11545 1 71 . 1 1 18 18 GLN CA C 13 54.47 . . . . . . . 333 GLN CA . 11545 1 72 . 1 1 18 18 GLN CB C 13 32.58 . . . . . . . 333 GLN CB . 11545 1 73 . 1 1 18 18 GLN N N 15 119.18 . . . . . . . 333 GLN N . 11545 1 74 . 1 1 19 19 MET H H 1 9.12 . . . . . . . 334 MET H . 11545 1 75 . 1 1 19 19 MET C C 13 175.3 . . . . . . . 334 MET C . 11545 1 76 . 1 1 19 19 MET CA C 13 55.24 . . . . . . . 334 MET CA . 11545 1 77 . 1 1 19 19 MET N N 15 121.15 . . . . . . . 334 MET N . 11545 1 78 . 1 1 21 21 GLU H H 1 9.29 . . . . . . . 336 GLU H . 11545 1 79 . 1 1 21 21 GLU C C 13 175.22 . . . . . . . 336 GLU C . 11545 1 80 . 1 1 21 21 GLU CA C 13 58.71 . . . . . . . 336 GLU CA . 11545 1 81 . 1 1 21 21 GLU CB C 13 28.05 . . . . . . . 336 GLU CB . 11545 1 82 . 1 1 21 21 GLU N N 15 116.09 . . . . . . . 336 GLU N . 11545 1 83 . 1 1 22 22 THR H H 1 8.12 . . . . . . . 337 THR H . 11545 1 84 . 1 1 22 22 THR CB C 13 72.74 . . . . . . . 337 THR CB . 11545 1 85 . 1 1 22 22 THR N N 15 112.2 . . . . . . . 337 THR N . 11545 1 86 . 1 1 23 23 PHE H H 1 8.15 . . . . . . . 338 PHE H . 11545 1 87 . 1 1 23 23 PHE C C 13 175.9 . . . . . . . 338 PHE C . 11545 1 88 . 1 1 23 23 PHE CA C 13 57 . . . . . . . 338 PHE CA . 11545 1 89 . 1 1 23 23 PHE CB C 13 42.97 . . . . . . . 338 PHE CB . 11545 1 90 . 1 1 23 23 PHE N N 15 116.84 . . . . . . . 338 PHE N . 11545 1 91 . 1 1 24 24 ILE H H 1 9.65 . . . . . . . 339 ILE H . 11545 1 92 . 1 1 24 24 ILE C C 13 174.71 . . . . . . . 339 ILE C . 11545 1 93 . 1 1 24 24 ILE CA C 13 61.05 . . . . . . . 339 ILE CA . 11545 1 94 . 1 1 24 24 ILE CB C 13 40.49 . . . . . . . 339 ILE CB . 11545 1 95 . 1 1 24 24 ILE N N 15 122.84 . . . . . . . 339 ILE N . 11545 1 96 . 1 1 25 25 LEU H H 1 8.79 . . . . . . . 340 LEU H . 11545 1 97 . 1 1 25 25 LEU C C 13 175.64 . . . . . . . 340 LEU C . 11545 1 98 . 1 1 25 25 LEU CA C 13 54.69 . . . . . . . 340 LEU CA . 11545 1 99 . 1 1 25 25 LEU CB C 13 43.43 . . . . . . . 340 LEU CB . 11545 1 100 . 1 1 25 25 LEU N N 15 128.87 . . . . . . . 340 LEU N . 11545 1 101 . 1 1 26 26 VAL H H 1 8.77 . . . . . . . 341 VAL H . 11545 1 102 . 1 1 26 26 VAL C C 13 172.76 . . . . . . . 341 VAL C . 11545 1 103 . 1 1 26 26 VAL CA C 13 59.48 . . . . . . . 341 VAL CA . 11545 1 104 . 1 1 26 26 VAL CB C 13 35.8 . . . . . . . 341 VAL CB . 11545 1 105 . 1 1 26 26 VAL N N 15 123.09 . . . . . . . 341 VAL N . 11545 1 106 . 1 1 27 27 LYS H H 1 9.42 . . . . . . . 342 LYS H . 11545 1 107 . 1 1 27 27 LYS C C 13 175.48 . . . . . . . 342 LYS C . 11545 1 108 . 1 1 27 27 LYS CA C 13 54.41 . . . . . . . 342 LYS CA . 11545 1 109 . 1 1 27 27 LYS CB C 13 36.25 . . . . . . . 342 LYS CB . 11545 1 110 . 1 1 27 27 LYS N N 15 124.02 . . . . . . . 342 LYS N . 11545 1 111 . 1 1 28 28 ASP H H 1 8.9 . . . . . . . 343 ASP H . 11545 1 112 . 1 1 28 28 ASP C C 13 175.88 . . . . . . . 343 ASP C . 11545 1 113 . 1 1 28 28 ASP CA C 13 53.07 . . . . . . . 343 ASP CA . 11545 1 114 . 1 1 28 28 ASP CB C 13 42.19 . . . . . . . 343 ASP CB . 11545 1 115 . 1 1 28 28 ASP N N 15 125.09 . . . . . . . 343 ASP N . 11545 1 116 . 1 1 29 29 SER H H 1 8.04 . . . . . . . 344 SER H . 11545 1 117 . 1 1 29 29 SER C C 13 175 . . . . . . . 344 SER C . 11545 1 118 . 1 1 29 29 SER CA C 13 60.82 . . . . . . . 344 SER CA . 11545 1 119 . 1 1 29 29 SER CB C 13 63.43 . . . . . . . 344 SER CB . 11545 1 120 . 1 1 29 29 SER N N 15 110.47 . . . . . . . 344 SER N . 11545 1 121 . 1 1 30 30 GLU H H 1 8.82 . . . . . . . 345 GLU H . 11545 1 122 . 1 1 30 30 GLU C C 13 175.75 . . . . . . . 345 GLU C . 11545 1 123 . 1 1 30 30 GLU CA C 13 57.77 . . . . . . . 345 GLU CA . 11545 1 124 . 1 1 30 30 GLU CB C 13 34.78 . . . . . . . 345 GLU CB . 11545 1 125 . 1 1 30 30 GLU N N 15 121.5 . . . . . . . 345 GLU N . 11545 1 126 . 1 1 31 31 TYR H H 1 9.47 . . . . . . . 346 TYR H . 11545 1 127 . 1 1 31 31 TYR C C 13 172.73 . . . . . . . 346 TYR C . 11545 1 128 . 1 1 31 31 TYR CA C 13 57.86 . . . . . . . 346 TYR CA . 11545 1 129 . 1 1 31 31 TYR CB C 13 42.42 . . . . . . . 346 TYR CB . 11545 1 130 . 1 1 31 31 TYR N N 15 120.39 . . . . . . . 346 TYR N . 11545 1 131 . 1 1 32 32 LEU H H 1 8.43 . . . . . . . 347 LEU H . 11545 1 132 . 1 1 32 32 LEU C C 13 174.3 . . . . . . . 347 LEU C . 11545 1 133 . 1 1 32 32 LEU CA C 13 54.07 . . . . . . . 347 LEU CA . 11545 1 134 . 1 1 32 32 LEU CB C 13 44.34 . . . . . . . 347 LEU CB . 11545 1 135 . 1 1 32 32 LEU N N 15 120.37 . . . . . . . 347 LEU N . 11545 1 136 . 1 1 33 33 TYR H H 1 9.77 . . . . . . . 348 TYR H . 11545 1 137 . 1 1 33 33 TYR C C 13 174.33 . . . . . . . 348 TYR C . 11545 1 138 . 1 1 33 33 TYR CA C 13 56.79 . . . . . . . 348 TYR CA . 11545 1 139 . 1 1 33 33 TYR CB C 13 40.97 . . . . . . . 348 TYR CB . 11545 1 140 . 1 1 33 33 TYR N N 15 123.03 . . . . . . . 348 TYR N . 11545 1 141 . 1 1 34 34 PHE H H 1 9.39 . . . . . . . 349 PHE H . 11545 1 142 . 1 1 34 34 PHE C C 13 174.83 . . . . . . . 349 PHE C . 11545 1 143 . 1 1 34 34 PHE CA C 13 56.54 . . . . . . . 349 PHE CA . 11545 1 144 . 1 1 34 34 PHE CB C 13 39.29 . . . . . . . 349 PHE CB . 11545 1 145 . 1 1 34 34 PHE N N 15 120.62 . . . . . . . 349 PHE N . 11545 1 146 . 1 1 35 35 VAL H H 1 9.26 . . . . . . . 350 VAL H . 11545 1 147 . 1 1 35 35 VAL C C 13 175.72 . . . . . . . 350 VAL C . 11545 1 148 . 1 1 35 35 VAL CA C 13 62.4 . . . . . . . 350 VAL CA . 11545 1 149 . 1 1 35 35 VAL CB C 13 33.12 . . . . . . . 350 VAL CB . 11545 1 150 . 1 1 35 35 VAL N N 15 123.5 . . . . . . . 350 VAL N . 11545 1 151 . 1 1 36 36 ASP H H 1 9.18 . . . . . . . 351 ASP H . 11545 1 152 . 1 1 36 36 ASP C C 13 175.86 . . . . . . . 351 ASP C . 11545 1 153 . 1 1 36 36 ASP CB C 13 42.32 . . . . . . . 351 ASP CB . 11545 1 154 . 1 1 36 36 ASP N N 15 130.4 . . . . . . . 351 ASP N . 11545 1 155 . 1 1 37 37 GLN H H 1 8.38 . . . . . . . 352 GLN H . 11545 1 156 . 1 1 37 37 GLN C C 13 176.33 . . . . . . . 352 GLN C . 11545 1 157 . 1 1 37 37 GLN CA C 13 59.29 . . . . . . . 352 GLN CA . 11545 1 158 . 1 1 37 37 GLN CB C 13 28.12 . . . . . . . 352 GLN CB . 11545 1 159 . 1 1 37 37 GLN N N 15 127.23 . . . . . . . 352 GLN N . 11545 1 160 . 1 1 38 38 HIS H H 1 8.37 . . . . . . . 353 HIS H . 11545 1 161 . 1 1 38 38 HIS C C 13 178.01 . . . . . . . 353 HIS C . 11545 1 162 . 1 1 38 38 HIS CA C 13 58.57 . . . . . . . 353 HIS CA . 11545 1 163 . 1 1 38 38 HIS CB C 13 29.64 . . . . . . . 353 HIS CB . 11545 1 164 . 1 1 38 38 HIS N N 15 119.66 . . . . . . . 353 HIS N . 11545 1 165 . 1 1 39 39 LEU H H 1 8.22 . . . . . . . 354 LEU H . 11545 1 166 . 1 1 39 39 LEU CA C 13 57.35 . . . . . . . 354 LEU CA . 11545 1 167 . 1 1 39 39 LEU CB C 13 42.29 . . . . . . . 354 LEU CB . 11545 1 168 . 1 1 39 39 LEU N N 15 121.09 . . . . . . . 354 LEU N . 11545 1 169 . 1 1 40 40 LEU H H 1 8.37 . . . . . . . 355 LEU H . 11545 1 170 . 1 1 40 40 LEU C C 13 178 . . . . . . . 355 LEU C . 11545 1 171 . 1 1 40 40 LEU CA C 13 58.24 . . . . . . . 355 LEU CA . 11545 1 172 . 1 1 40 40 LEU CB C 13 40.94 . . . . . . . 355 LEU CB . 11545 1 173 . 1 1 40 40 LEU N N 15 118.89 . . . . . . . 355 LEU N . 11545 1 174 . 1 1 41 41 GLU H H 1 7.97 . . . . . . . 356 GLU H . 11545 1 175 . 1 1 41 41 GLU C C 13 178.5 . . . . . . . 356 GLU C . 11545 1 176 . 1 1 41 41 GLU CA C 13 60.63 . . . . . . . 356 GLU CA . 11545 1 177 . 1 1 41 41 GLU CB C 13 29.28 . . . . . . . 356 GLU CB . 11545 1 178 . 1 1 41 41 GLU N N 15 119 . . . . . . . 356 GLU N . 11545 1 179 . 1 1 42 42 GLU H H 1 8.08 . . . . . . . 357 GLU H . 11545 1 180 . 1 1 42 42 GLU C C 13 179.98 . . . . . . . 357 GLU C . 11545 1 181 . 1 1 42 42 GLU CA C 13 60.08 . . . . . . . 357 GLU CA . 11545 1 182 . 1 1 42 42 GLU N N 15 118.57 . . . . . . . 357 GLU N . 11545 1 183 . 1 1 43 43 ARG H H 1 8.3 . . . . . . . 358 ARG H . 11545 1 184 . 1 1 43 43 ARG C C 13 177.58 . . . . . . . 358 ARG C . 11545 1 185 . 1 1 43 43 ARG CA C 13 58.46 . . . . . . . 358 ARG CA . 11545 1 186 . 1 1 43 43 ARG CB C 13 29.49 . . . . . . . 358 ARG CB . 11545 1 187 . 1 1 43 43 ARG N N 15 120.77 . . . . . . . 358 ARG N . 11545 1 188 . 1 1 44 44 ILE H H 1 8.87 . . . . . . . 359 ILE H . 11545 1 189 . 1 1 44 44 ILE C C 13 178.08 . . . . . . . 359 ILE C . 11545 1 190 . 1 1 44 44 ILE CB C 13 38.29 . . . . . . . 359 ILE CB . 11545 1 191 . 1 1 44 44 ILE N N 15 120.97 . . . . . . . 359 ILE N . 11545 1 192 . 1 1 45 45 ASN H H 1 8.52 . . . . . . . 360 ASN H . 11545 1 193 . 1 1 45 45 ASN C C 13 177.27 . . . . . . . 360 ASN C . 11545 1 194 . 1 1 45 45 ASN CA C 13 56.03 . . . . . . . 360 ASN CA . 11545 1 195 . 1 1 45 45 ASN CB C 13 38.28 . . . . . . . 360 ASN CB . 11545 1 196 . 1 1 45 45 ASN N N 15 117.15 . . . . . . . 360 ASN N . 11545 1 197 . 1 1 46 46 TYR H H 1 8.17 . . . . . . . 361 TYR H . 11545 1 198 . 1 1 46 46 TYR C C 13 177.5 . . . . . . . 361 TYR C . 11545 1 199 . 1 1 46 46 TYR CA C 13 61.04 . . . . . . . 361 TYR CA . 11545 1 200 . 1 1 46 46 TYR CB C 13 39.68 . . . . . . . 361 TYR CB . 11545 1 201 . 1 1 46 46 TYR N N 15 120.83 . . . . . . . 361 TYR N . 11545 1 202 . 1 1 47 47 GLU H H 1 8.22 . . . . . . . 362 GLU H . 11545 1 203 . 1 1 47 47 GLU C C 13 178.37 . . . . . . . 362 GLU C . 11545 1 204 . 1 1 47 47 GLU CA C 13 59.68 . . . . . . . 362 GLU CA . 11545 1 205 . 1 1 47 47 GLU CB C 13 29.17 . . . . . . . 362 GLU CB . 11545 1 206 . 1 1 47 47 GLU N N 15 117.42 . . . . . . . 362 GLU N . 11545 1 207 . 1 1 48 48 LYS H H 1 8.08 . . . . . . . 363 LYS H . 11545 1 208 . 1 1 48 48 LYS C C 13 178.4 . . . . . . . 363 LYS C . 11545 1 209 . 1 1 48 48 LYS CA C 13 57.94 . . . . . . . 363 LYS CA . 11545 1 210 . 1 1 48 48 LYS CB C 13 33.7 . . . . . . . 363 LYS CB . 11545 1 211 . 1 1 48 48 LYS N N 15 117.85 . . . . . . . 363 LYS N . 11545 1 212 . 1 1 49 49 LEU H H 1 7.69 . . . . . . . 364 LEU H . 11545 1 213 . 1 1 49 49 LEU C C 13 177.8 . . . . . . . 364 LEU C . 11545 1 214 . 1 1 49 49 LEU CA C 13 56.25 . . . . . . . 364 LEU CA . 11545 1 215 . 1 1 49 49 LEU CB C 13 42.01 . . . . . . . 364 LEU CB . 11545 1 216 . 1 1 49 49 LEU N N 15 119.05 . . . . . . . 364 LEU N . 11545 1 217 . 1 1 50 50 LYS H H 1 7.81 . . . . . . . 365 LYS H . 11545 1 218 . 1 1 50 50 LYS C C 13 176.13 . . . . . . . 365 LYS C . 11545 1 219 . 1 1 50 50 LYS CA C 13 56.93 . . . . . . . 365 LYS CA . 11545 1 220 . 1 1 50 50 LYS CB C 13 32.18 . . . . . . . 365 LYS CB . 11545 1 221 . 1 1 50 50 LYS N N 15 118.03 . . . . . . . 365 LYS N . 11545 1 222 . 1 1 51 51 ASP H H 1 7.69 . . . . . . . 366 ASP H . 11545 1 223 . 1 1 51 51 ASP C C 13 176.3 . . . . . . . 366 ASP C . 11545 1 224 . 1 1 51 51 ASP CA C 13 54.28 . . . . . . . 366 ASP CA . 11545 1 225 . 1 1 51 51 ASP CB C 13 42.03 . . . . . . . 366 ASP CB . 11545 1 226 . 1 1 51 51 ASP N N 15 119.05 . . . . . . . 366 ASP N . 11545 1 227 . 1 1 52 52 GLU H H 1 8.62 . . . . . . . 367 GLU H . 11545 1 228 . 1 1 52 52 GLU C C 13 176.79 . . . . . . . 367 GLU C . 11545 1 229 . 1 1 52 52 GLU CA C 13 57.85 . . . . . . . 367 GLU CA . 11545 1 230 . 1 1 52 52 GLU CB C 13 29.91 . . . . . . . 367 GLU CB . 11545 1 231 . 1 1 52 52 GLU N N 15 122.45 . . . . . . . 367 GLU N . 11545 1 232 . 1 1 53 53 ASN H H 1 8.42 . . . . . . . 368 ASN H . 11545 1 233 . 1 1 53 53 ASN C C 13 175.85 . . . . . . . 368 ASN C . 11545 1 234 . 1 1 53 53 ASN CA C 13 54.25 . . . . . . . 368 ASN CA . 11545 1 235 . 1 1 53 53 ASN CB C 13 38.84 . . . . . . . 368 ASN CB . 11545 1 236 . 1 1 53 53 ASN N N 15 118.26 . . . . . . . 368 ASN N . 11545 1 237 . 1 1 54 54 LEU H H 1 7.9 . . . . . . . 369 LEU H . 11545 1 238 . 1 1 54 54 LEU C C 13 177.4 . . . . . . . 369 LEU C . 11545 1 239 . 1 1 54 54 LEU CA C 13 55.9 . . . . . . . 369 LEU CA . 11545 1 240 . 1 1 54 54 LEU CB C 13 42.38 . . . . . . . 369 LEU CB . 11545 1 241 . 1 1 54 54 LEU N N 15 121.55 . . . . . . . 369 LEU N . 11545 1 242 . 1 1 55 55 ALA H H 1 8.09 . . . . . . . 370 ALA H . 11545 1 243 . 1 1 55 55 ALA C C 13 177.91 . . . . . . . 370 ALA C . 11545 1 244 . 1 1 55 55 ALA CA C 13 53.41 . . . . . . . 370 ALA CA . 11545 1 245 . 1 1 55 55 ALA CB C 13 19.03 . . . . . . . 370 ALA CB . 11545 1 246 . 1 1 55 55 ALA N N 15 122.48 . . . . . . . 370 ALA N . 11545 1 247 . 1 1 56 56 CYS H H 1 7.96 . . . . . . . 371 CYS H . 11545 1 248 . 1 1 56 56 CYS C C 13 174.5 . . . . . . . 371 CYS C . 11545 1 249 . 1 1 56 56 CYS CA C 13 58.76 . . . . . . . 371 CYS CA . 11545 1 250 . 1 1 56 56 CYS CB C 13 27.91 . . . . . . . 371 CYS CB . 11545 1 251 . 1 1 56 56 CYS N N 15 116.57 . . . . . . . 371 CYS N . 11545 1 252 . 1 1 57 57 ARG H H 1 8.15 . . . . . . . 372 ARG H . 11545 1 253 . 1 1 57 57 ARG C C 13 176.16 . . . . . . . 372 ARG C . 11545 1 254 . 1 1 57 57 ARG CA C 13 56.36 . . . . . . . 372 ARG CA . 11545 1 255 . 1 1 57 57 ARG CB C 13 30.85 . . . . . . . 372 ARG CB . 11545 1 256 . 1 1 57 57 ARG N N 15 122.74 . . . . . . . 372 ARG N . 11545 1 257 . 1 1 58 58 ILE H H 1 8.04 . . . . . . . 373 ILE H . 11545 1 258 . 1 1 58 58 ILE C C 13 175.9 . . . . . . . 373 ILE C . 11545 1 259 . 1 1 58 58 ILE CA C 13 61.05 . . . . . . . 373 ILE CA . 11545 1 260 . 1 1 58 58 ILE CB C 13 38.96 . . . . . . . 373 ILE CB . 11545 1 261 . 1 1 58 58 ILE N N 15 120.69 . . . . . . . 373 ILE N . 11545 1 262 . 1 1 59 59 SER H H 1 8.3 . . . . . . . 374 SER H . 11545 1 263 . 1 1 59 59 SER C C 13 174.3 . . . . . . . 374 SER C . 11545 1 264 . 1 1 59 59 SER CA C 13 58.18 . . . . . . . 374 SER CA . 11545 1 265 . 1 1 59 59 SER CB C 13 64.1 . . . . . . . 374 SER CB . 11545 1 266 . 1 1 59 59 SER N N 15 120.32 . . . . . . . 374 SER N . 11545 1 267 . 1 1 60 60 VAL H H 1 8.37 . . . . . . . 375 VAL H . 11545 1 268 . 1 1 60 60 VAL C C 13 175.5 . . . . . . . 375 VAL C . 11545 1 269 . 1 1 60 60 VAL CA C 13 62.24 . . . . . . . 375 VAL CA . 11545 1 270 . 1 1 60 60 VAL CB C 13 32.96 . . . . . . . 375 VAL CB . 11545 1 271 . 1 1 60 60 VAL N N 15 122.81 . . . . . . . 375 VAL N . 11545 1 272 . 1 1 61 61 LYS H H 1 8.18 . . . . . . . 376 LYS H . 11545 1 273 . 1 1 61 61 LYS C C 13 176.22 . . . . . . . 376 LYS C . 11545 1 274 . 1 1 61 61 LYS CA C 13 55.66 . . . . . . . 376 LYS CA . 11545 1 275 . 1 1 61 61 LYS CB C 13 33.48 . . . . . . . 376 LYS CB . 11545 1 276 . 1 1 61 61 LYS N N 15 124.66 . . . . . . . 376 LYS N . 11545 1 277 . 1 1 62 62 ALA H H 1 8.33 . . . . . . . 377 ALA H . 11545 1 278 . 1 1 62 62 ALA C C 13 178.3 . . . . . . . 377 ALA C . 11545 1 279 . 1 1 62 62 ALA CA C 13 53.02 . . . . . . . 377 ALA CA . 11545 1 280 . 1 1 62 62 ALA CB C 13 19.11 . . . . . . . 377 ALA CB . 11545 1 281 . 1 1 62 62 ALA N N 15 125.14 . . . . . . . 377 ALA N . 11545 1 282 . 1 1 63 63 GLY H H 1 8.48 . . . . . . . 378 GLY H . 11545 1 283 . 1 1 63 63 GLY C C 13 174.03 . . . . . . . 378 GLY C . 11545 1 284 . 1 1 63 63 GLY CA C 13 45.89 . . . . . . . 378 GLY CA . 11545 1 285 . 1 1 63 63 GLY N N 15 109.45 . . . . . . . 378 GLY N . 11545 1 286 . 1 1 64 64 GLN H H 1 7.88 . . . . . . . 379 GLN H . 11545 1 287 . 1 1 64 64 GLN CA C 13 55.44 . . . . . . . 379 GLN CA . 11545 1 288 . 1 1 64 64 GLN CB C 13 30.43 . . . . . . . 379 GLN CB . 11545 1 289 . 1 1 64 64 GLN N N 15 119.19 . . . . . . . 379 GLN N . 11545 1 290 . 1 1 65 65 LYS H H 1 8.39 . . . . . . . 380 LYS H . 11545 1 291 . 1 1 65 65 LYS C C 13 176.49 . . . . . . . 380 LYS C . 11545 1 292 . 1 1 65 65 LYS CA C 13 56.59 . . . . . . . 380 LYS CA . 11545 1 293 . 1 1 65 65 LYS CB C 13 32.89 . . . . . . . 380 LYS CB . 11545 1 294 . 1 1 65 65 LYS N N 15 124 . . . . . . . 380 LYS N . 11545 1 295 . 1 1 66 66 LEU H H 1 8.61 . . . . . . . 381 LEU H . 11545 1 296 . 1 1 66 66 LEU CA C 13 54.31 . . . . . . . 381 LEU CA . 11545 1 297 . 1 1 66 66 LEU CB C 13 43.48 . . . . . . . 381 LEU CB . 11545 1 298 . 1 1 66 66 LEU N N 15 125.58 . . . . . . . 381 LEU N . 11545 1 299 . 1 1 67 67 SER H H 1 7.99 . . . . . . . 382 SER H . 11545 1 300 . 1 1 67 67 SER C C 13 174.68 . . . . . . . 382 SER C . 11545 1 301 . 1 1 67 67 SER CA C 13 57.08 . . . . . . . 382 SER CA . 11545 1 302 . 1 1 67 67 SER CB C 13 65.08 . . . . . . . 382 SER CB . 11545 1 303 . 1 1 67 67 SER N N 15 117.25 . . . . . . . 382 SER N . 11545 1 304 . 1 1 68 68 GLU H H 1 8.94 . . . . . . . 383 GLU H . 11545 1 305 . 1 1 68 68 GLU C C 13 178.79 . . . . . . . 383 GLU C . 11545 1 306 . 1 1 68 68 GLU CA C 13 60.17 . . . . . . . 383 GLU CA . 11545 1 307 . 1 1 68 68 GLU CB C 13 29.57 . . . . . . . 383 GLU CB . 11545 1 308 . 1 1 68 68 GLU N N 15 121.74 . . . . . . . 383 GLU N . 11545 1 309 . 1 1 69 69 GLU H H 1 8.66 . . . . . . . 384 GLU H . 11545 1 310 . 1 1 69 69 GLU C C 13 178.7 . . . . . . . 384 GLU C . 11545 1 311 . 1 1 69 69 GLU CA C 13 59.85 . . . . . . . 384 GLU CA . 11545 1 312 . 1 1 69 69 GLU CB C 13 29.4 . . . . . . . 384 GLU CB . 11545 1 313 . 1 1 69 69 GLU N N 15 118.08 . . . . . . . 384 GLU N . 11545 1 314 . 1 1 70 70 LYS H H 1 7.76 . . . . . . . 385 LYS H . 11545 1 315 . 1 1 70 70 LYS C C 13 178.8 . . . . . . . 385 LYS C . 11545 1 316 . 1 1 70 70 LYS CA C 13 58.41 . . . . . . . 385 LYS CA . 11545 1 317 . 1 1 70 70 LYS CB C 13 32.14 . . . . . . . 385 LYS CB . 11545 1 318 . 1 1 70 70 LYS N N 15 121.34 . . . . . . . 385 LYS N . 11545 1 319 . 1 1 71 71 ILE H H 1 8.28 . . . . . . . 386 ILE H . 11545 1 320 . 1 1 71 71 ILE C C 13 177.4 . . . . . . . 386 ILE C . 11545 1 321 . 1 1 71 71 ILE CB C 13 37.68 . . . . . . . 386 ILE CB . 11545 1 322 . 1 1 71 71 ILE N N 15 119.3 . . . . . . . 386 ILE N . 11545 1 323 . 1 1 72 72 ARG H H 1 7.98 . . . . . . . 387 ARG H . 11545 1 324 . 1 1 72 72 ARG C C 13 179.34 . . . . . . . 387 ARG C . 11545 1 325 . 1 1 72 72 ARG CA C 13 60.43 . . . . . . . 387 ARG CA . 11545 1 326 . 1 1 72 72 ARG CB C 13 30.14 . . . . . . . 387 ARG CB . 11545 1 327 . 1 1 72 72 ARG N N 15 118 . . . . . . . 387 ARG N . 11545 1 328 . 1 1 73 73 GLU H H 1 7.84 . . . . . . . 388 GLU H . 11545 1 329 . 1 1 73 73 GLU C C 13 179.53 . . . . . . . 388 GLU C . 11545 1 330 . 1 1 73 73 GLU CA C 13 59.44 . . . . . . . 388 GLU CA . 11545 1 331 . 1 1 73 73 GLU CB C 13 29.85 . . . . . . . 388 GLU CB . 11545 1 332 . 1 1 73 73 GLU N N 15 119.77 . . . . . . . 388 GLU N . 11545 1 333 . 1 1 74 74 LEU H H 1 8.55 . . . . . . . 389 LEU H . 11545 1 334 . 1 1 74 74 LEU C C 13 178.88 . . . . . . . 389 LEU C . 11545 1 335 . 1 1 74 74 LEU CA C 13 58.34 . . . . . . . 389 LEU CA . 11545 1 336 . 1 1 74 74 LEU CB C 13 41.97 . . . . . . . 389 LEU CB . 11545 1 337 . 1 1 74 74 LEU N N 15 122.26 . . . . . . . 389 LEU N . 11545 1 338 . 1 1 75 75 ILE H H 1 8.08 . . . . . . . 390 ILE H . 11545 1 339 . 1 1 75 75 ILE C C 13 177.4 . . . . . . . 390 ILE C . 11545 1 340 . 1 1 75 75 ILE CA C 13 61.09 . . . . . . . 390 ILE CA . 11545 1 341 . 1 1 75 75 ILE CB C 13 35.07 . . . . . . . 390 ILE CB . 11545 1 342 . 1 1 75 75 ILE N N 15 117.85 . . . . . . . 390 ILE N . 11545 1 343 . 1 1 76 76 LYS H H 1 8.11 . . . . . . . 391 LYS H . 11545 1 344 . 1 1 76 76 LYS C C 13 179.22 . . . . . . . 391 LYS C . 11545 1 345 . 1 1 76 76 LYS CA C 13 60.13 . . . . . . . 391 LYS CA . 11545 1 346 . 1 1 76 76 LYS CB C 13 32.39 . . . . . . . 391 LYS CB . 11545 1 347 . 1 1 76 76 LYS N N 15 121.3 . . . . . . . 391 LYS N . 11545 1 348 . 1 1 77 77 THR H H 1 8.02 . . . . . . . 392 THR H . 11545 1 349 . 1 1 77 77 THR C C 13 176.44 . . . . . . . 392 THR C . 11545 1 350 . 1 1 77 77 THR CB C 13 68.3 . . . . . . . 392 THR CB . 11545 1 351 . 1 1 77 77 THR N N 15 115.25 . . . . . . . 392 THR N . 11545 1 352 . 1 1 78 78 TRP H H 1 8.61 . . . . . . . 393 TRP H . 11545 1 353 . 1 1 78 78 TRP CA C 13 59.17 . . . . . . . 393 TRP CA . 11545 1 354 . 1 1 78 78 TRP CB C 13 29.01 . . . . . . . 393 TRP CB . 11545 1 355 . 1 1 78 78 TRP N N 15 123.05 . . . . . . . 393 TRP N . 11545 1 356 . 1 1 79 79 ARG H H 1 7.28 . . . . . . . 394 ARG H . 11545 1 357 . 1 1 79 79 ARG C C 13 176.5 . . . . . . . 394 ARG C . 11545 1 358 . 1 1 79 79 ARG CA C 13 56.48 . . . . . . . 394 ARG CA . 11545 1 359 . 1 1 79 79 ARG N N 15 111 . . . . . . . 394 ARG N . 11545 1 360 . 1 1 80 80 ASN H H 1 7.61 . . . . . . . 395 ASN H . 11545 1 361 . 1 1 80 80 ASN C C 13 175.04 . . . . . . . 395 ASN C . 11545 1 362 . 1 1 80 80 ASN CA C 13 52.87 . . . . . . . 395 ASN CA . 11545 1 363 . 1 1 80 80 ASN CB C 13 40.52 . . . . . . . 395 ASN CB . 11545 1 364 . 1 1 80 80 ASN N N 15 116.11 . . . . . . . 395 ASN N . 11545 1 365 . 1 1 81 81 LEU H H 1 7.05 . . . . . . . 396 LEU H . 11545 1 366 . 1 1 81 81 LEU C C 13 176.91 . . . . . . . 396 LEU C . 11545 1 367 . 1 1 81 81 LEU CA C 13 55.17 . . . . . . . 396 LEU CA . 11545 1 368 . 1 1 81 81 LEU CB C 13 41.97 . . . . . . . 396 LEU CB . 11545 1 369 . 1 1 81 81 LEU N N 15 121.19 . . . . . . . 396 LEU N . 11545 1 370 . 1 1 84 84 PRO C C 13 176.5 . . . . . . . 399 PRO C . 11545 1 371 . 1 1 84 84 PRO CA C 13 62.4 . . . . . . . 399 PRO CA . 11545 1 372 . 1 1 84 84 PRO CB C 13 32.27 . . . . . . . 399 PRO CB . 11545 1 373 . 1 1 85 85 HIS H H 1 8.03 . . . . . . . 400 HIS H . 11545 1 374 . 1 1 85 85 HIS C C 13 177.5 . . . . . . . 400 HIS C . 11545 1 375 . 1 1 85 85 HIS CA C 13 57.4 . . . . . . . 400 HIS CA . 11545 1 376 . 1 1 85 85 HIS CB C 13 31.98 . . . . . . . 400 HIS CB . 11545 1 377 . 1 1 85 85 HIS N N 15 115.3 . . . . . . . 400 HIS N . 11545 1 378 . 1 1 86 86 VAL H H 1 7.23 . . . . . . . 401 VAL H . 11545 1 379 . 1 1 86 86 VAL C C 13 174.9 . . . . . . . 401 VAL C . 11545 1 380 . 1 1 86 86 VAL CA C 13 59.23 . . . . . . . 401 VAL CA . 11545 1 381 . 1 1 86 86 VAL CB C 13 36.46 . . . . . . . 401 VAL CB . 11545 1 382 . 1 1 86 86 VAL N N 15 114.1 . . . . . . . 401 VAL N . 11545 1 383 . 1 1 87 87 CYS H H 1 9.53 . . . . . . . 402 CYS H . 11545 1 384 . 1 1 87 87 CYS C C 13 174.8 . . . . . . . 402 CYS C . 11545 1 385 . 1 1 87 87 CYS CA C 13 59.64 . . . . . . . 402 CYS CA . 11545 1 386 . 1 1 87 87 CYS CB C 13 28.73 . . . . . . . 402 CYS CB . 11545 1 387 . 1 1 87 87 CYS N N 15 126.19 . . . . . . . 402 CYS N . 11545 1 388 . 1 1 89 89 HIS H H 1 8.06 . . . . . . . 404 HIS H . 11545 1 389 . 1 1 89 89 HIS N N 15 115.6 . . . . . . . 404 HIS N . 11545 1 390 . 1 1 90 90 GLY H H 1 8.22 . . . . . . . 405 GLY H . 11545 1 391 . 1 1 90 90 GLY C C 13 174.59 . . . . . . . 405 GLY C . 11545 1 392 . 1 1 90 90 GLY CA C 13 46 . . . . . . . 405 GLY CA . 11545 1 393 . 1 1 90 90 GLY N N 15 110.75 . . . . . . . 405 GLY N . 11545 1 394 . 1 1 92 92 PRO C C 13 175.61 . . . . . . . 407 PRO C . 11545 1 395 . 1 1 92 92 PRO CA C 13 62.94 . . . . . . . 407 PRO CA . 11545 1 396 . 1 1 92 92 PRO CB C 13 32.33 . . . . . . . 407 PRO CB . 11545 1 397 . 1 1 93 93 ILE H H 1 7.63 . . . . . . . 408 ILE H . 11545 1 398 . 1 1 93 93 ILE C C 13 173.16 . . . . . . . 408 ILE C . 11545 1 399 . 1 1 93 93 ILE CA C 13 62.98 . . . . . . . 408 ILE CA . 11545 1 400 . 1 1 93 93 ILE CB C 13 39.31 . . . . . . . 408 ILE CB . 11545 1 401 . 1 1 93 93 ILE N N 15 117.58 . . . . . . . 408 ILE N . 11545 1 402 . 1 1 94 94 TYR H H 1 7.01 . . . . . . . 409 TYR H . 11545 1 403 . 1 1 94 94 TYR C C 13 173.56 . . . . . . . 409 TYR C . 11545 1 404 . 1 1 94 94 TYR CB C 13 43.42 . . . . . . . 409 TYR CB . 11545 1 405 . 1 1 94 94 TYR N N 15 108.82 . . . . . . . 409 TYR N . 11545 1 406 . 1 1 95 95 TYR H H 1 8.43 . . . . . . . 410 TYR H . 11545 1 407 . 1 1 95 95 TYR C C 13 173.9 . . . . . . . 410 TYR C . 11545 1 408 . 1 1 95 95 TYR CA C 13 55.71 . . . . . . . 410 TYR CA . 11545 1 409 . 1 1 95 95 TYR N N 15 120.37 . . . . . . . 410 TYR N . 11545 1 410 . 1 1 96 96 LYS H H 1 8.27 . . . . . . . 411 LYS H . 11545 1 411 . 1 1 96 96 LYS C C 13 172.85 . . . . . . . 411 LYS C . 11545 1 412 . 1 1 96 96 LYS CA C 13 53.83 . . . . . . . 411 LYS CA . 11545 1 413 . 1 1 96 96 LYS CB C 13 36.81 . . . . . . . 411 LYS CB . 11545 1 414 . 1 1 96 96 LYS N N 15 127.73 . . . . . . . 411 LYS N . 11545 1 415 . 1 1 97 97 ILE H H 1 8.83 . . . . . . . 412 ILE H . 11545 1 416 . 1 1 97 97 ILE C C 13 173.33 . . . . . . . 412 ILE C . 11545 1 417 . 1 1 97 97 ILE CB C 13 42.62 . . . . . . . 412 ILE CB . 11545 1 418 . 1 1 97 97 ILE N N 15 119.18 . . . . . . . 412 ILE N . 11545 1 419 . 1 1 98 98 PRO C C 13 177.76 . . . . . . . 413 PRO C . 11545 1 420 . 1 1 98 98 PRO CA C 13 62.22 . . . . . . . 413 PRO CA . 11545 1 421 . 1 1 98 98 PRO CB C 13 31.68 . . . . . . . 413 PRO CB . 11545 1 422 . 1 1 99 99 LEU H H 1 8.45 . . . . . . . 414 LEU H . 11545 1 423 . 1 1 99 99 LEU C C 13 179 . . . . . . . 414 LEU C . 11545 1 424 . 1 1 99 99 LEU CA C 13 57.58 . . . . . . . 414 LEU CA . 11545 1 425 . 1 1 99 99 LEU CB C 13 41.36 . . . . . . . 414 LEU CB . 11545 1 426 . 1 1 99 99 LEU N N 15 126.91 . . . . . . . 414 LEU N . 11545 1 427 . 1 1 100 100 ARG H H 1 8.62 . . . . . . . 415 ARG H . 11545 1 428 . 1 1 100 100 ARG C C 13 177.15 . . . . . . . 415 ARG C . 11545 1 429 . 1 1 100 100 ARG CA C 13 59.36 . . . . . . . 415 ARG CA . 11545 1 430 . 1 1 100 100 ARG CB C 13 29.72 . . . . . . . 415 ARG CB . 11545 1 431 . 1 1 100 100 ARG N N 15 115.42 . . . . . . . 415 ARG N . 11545 1 432 . 1 1 101 101 GLU H H 1 6.96 . . . . . . . 416 GLU H . 11545 1 433 . 1 1 101 101 GLU C C 13 177.33 . . . . . . . 416 GLU C . 11545 1 434 . 1 1 101 101 GLU CA C 13 59.25 . . . . . . . 416 GLU CA . 11545 1 435 . 1 1 101 101 GLU CB C 13 29.98 . . . . . . . 416 GLU CB . 11545 1 436 . 1 1 101 101 GLU N N 15 116.87 . . . . . . . 416 GLU N . 11545 1 437 . 1 1 102 102 ILE H H 1 6.59 . . . . . . . 417 ILE H . 11545 1 438 . 1 1 102 102 ILE C C 13 176.51 . . . . . . . 417 ILE C . 11545 1 439 . 1 1 102 102 ILE CA C 13 64.64 . . . . . . . 417 ILE CA . 11545 1 440 . 1 1 102 102 ILE CB C 13 38.11 . . . . . . . 417 ILE CB . 11545 1 441 . 1 1 102 102 ILE N N 15 118.32 . . . . . . . 417 ILE N . 11545 1 442 . 1 1 103 103 TYR H H 1 7.34 . . . . . . . 418 TYR H . 11545 1 443 . 1 1 103 103 TYR C C 13 178.5 . . . . . . . 418 TYR C . 11545 1 444 . 1 1 103 103 TYR CA C 13 62.69 . . . . . . . 418 TYR CA . 11545 1 445 . 1 1 103 103 TYR CB C 13 38.24 . . . . . . . 418 TYR CB . 11545 1 446 . 1 1 103 103 TYR N N 15 114.2 . . . . . . . 418 TYR N . 11545 1 447 . 1 1 104 104 GLU H H 1 8.34 . . . . . . . 419 GLU H . 11545 1 448 . 1 1 104 104 GLU CA C 13 59.35 . . . . . . . 419 GLU CA . 11545 1 449 . 1 1 104 104 GLU CB C 13 29.47 . . . . . . . 419 GLU CB . 11545 1 450 . 1 1 104 104 GLU N N 15 116.77 . . . . . . . 419 GLU N . 11545 1 451 . 1 1 105 105 LYS H H 1 7.59 . . . . . . . 420 LYS H . 11545 1 452 . 1 1 105 105 LYS C C 13 178.38 . . . . . . . 420 LYS C . 11545 1 453 . 1 1 105 105 LYS CA C 13 57.74 . . . . . . . 420 LYS CA . 11545 1 454 . 1 1 105 105 LYS CB C 13 32.17 . . . . . . . 420 LYS CB . 11545 1 455 . 1 1 105 105 LYS N N 15 119.44 . . . . . . . 420 LYS N . 11545 1 456 . 1 1 106 106 VAL H H 1 7.08 . . . . . . . 421 VAL H . 11545 1 457 . 1 1 106 106 VAL C C 13 176.09 . . . . . . . 421 VAL C . 11545 1 458 . 1 1 106 106 VAL CA C 13 61.02 . . . . . . . 421 VAL CA . 11545 1 459 . 1 1 106 106 VAL CB C 13 31.07 . . . . . . . 421 VAL CB . 11545 1 460 . 1 1 106 106 VAL N N 15 108.43 . . . . . . . 421 VAL N . 11545 1 461 . 1 1 107 107 GLY H H 1 7.88 . . . . . . . 422 GLY H . 11545 1 462 . 1 1 107 107 GLY C C 13 174.8 . . . . . . . 422 GLY C . 11545 1 463 . 1 1 107 107 GLY CA C 13 46.28 . . . . . . . 422 GLY CA . 11545 1 464 . 1 1 107 107 GLY N N 15 108.69 . . . . . . . 422 GLY N . 11545 1 465 . 1 1 108 108 ARG H H 1 8.13 . . . . . . . 423 ARG H . 11545 1 466 . 1 1 108 108 ARG C C 13 175.05 . . . . . . . 423 ARG C . 11545 1 467 . 1 1 108 108 ARG CA C 13 55.4 . . . . . . . 423 ARG CA . 11545 1 468 . 1 1 108 108 ARG CB C 13 32.85 . . . . . . . 423 ARG CB . 11545 1 469 . 1 1 108 108 ARG N N 15 119.85 . . . . . . . 423 ARG N . 11545 1 470 . 1 1 109 109 ASN H H 1 8.3 . . . . . . . 424 ASN H . 11545 1 471 . 1 1 109 109 ASN C C 13 173.44 . . . . . . . 424 ASN C . 11545 1 472 . 1 1 109 109 ASN CA C 13 53.23 . . . . . . . 424 ASN CA . 11545 1 473 . 1 1 109 109 ASN CB C 13 39.9 . . . . . . . 424 ASN CB . 11545 1 474 . 1 1 109 109 ASN N N 15 119.43 . . . . . . . 424 ASN N . 11545 1 475 . 1 1 110 110 TYR H H 1 7.95 . . . . . . . 425 TYR H . 11545 1 476 . 1 1 110 110 TYR C C 13 179.73 . . . . . . . 425 TYR C . 11545 1 477 . 1 1 110 110 TYR CA C 13 60.3 . . . . . . . 425 TYR CA . 11545 1 478 . 1 1 110 110 TYR CB C 13 41.16 . . . . . . . 425 TYR CB . 11545 1 479 . 1 1 110 110 TYR N N 15 127.67 . . . . . . . 425 TYR N . 11545 1 stop_ save_