data_25496 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25496 _Entry.Title ; NMR structure of the RRM3 domain of Gbp2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-23 _Entry.Accession_date 2015-02-23 _Entry.Last_release_date 2015-11-30 _Entry.Original_release_date 2015-11-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _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.Entry_ID 1 Santiago Martinez-Lumbreras . . . 25496 2 Bertrand Seraphin . . . 25496 3 'Jose Manuel' Perez-Canadillas . . . 25496 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25496 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Gbp2 . 25496 'RNA binding domain' . 25496 RRM . 25496 THO/TREX . 25496 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25496 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 369 25496 '15N chemical shifts' 112 25496 '1H chemical shifts' 663 25496 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 . . 2016-01-20 2015-02-23 original BMRB 'update entry citation' 25496 1 . . 2015-11-30 2015-02-23 original author 'original release' 25496 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25497 'RRM1 domain of Hrb1' 25496 BMRB 25498 'RRM2 domain of Hrb1' 25496 BMRB 25499 'RRM3 domain of Hrb1' 25496 PDB 2MZQ 'BMRB Entry Tracking System' 25496 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25496 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26602689 _Citation.Full_citation . _Citation.Title ; Gbp2 interacts with THO/TREX through a novel type of RRM domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 44 _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 437 _Citation.Page_last 448 _Citation.Year 2016 _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 Santiago Martinez-Lumbreras . . . 25496 1 2 Valerio Taverniti . . . 25496 1 3 Silvia Zorrilla . . . 25496 1 4 Bertrand Seraphin . . . 25496 1 5 'Jose Manuel' Perez-Canadillas . . . 25496 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25496 _Assembly.ID 1 _Assembly.Name 'RRM3 domain of Gbp2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RRM3 domain of Gbp2' 1 $RRM3 A . yes native no no . . . 25496 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RRM3 _Entity.Sf_category entity _Entity.Sf_framecode RRM3 _Entity.Entry_ID 25496 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RRM3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHIDETAAKFTEGVNPGGD RNCFIYCSNLPFSTARSDLF DLFGPIGKINNAELKPQENG QPTGVAVVEYENLVDADFCI QKLNNYNYGGCSLQISYARR D ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'From 329 to 427' _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Third RRM domain of Gbp2' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11094.291 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 327 GLY . 25496 1 2 328 SER . 25496 1 3 329 HIS . 25496 1 4 330 ILE . 25496 1 5 331 ASP . 25496 1 6 332 GLU . 25496 1 7 333 THR . 25496 1 8 334 ALA . 25496 1 9 335 ALA . 25496 1 10 336 LYS . 25496 1 11 337 PHE . 25496 1 12 338 THR . 25496 1 13 339 GLU . 25496 1 14 340 GLY . 25496 1 15 341 VAL . 25496 1 16 342 ASN . 25496 1 17 343 PRO . 25496 1 18 344 GLY . 25496 1 19 345 GLY . 25496 1 20 346 ASP . 25496 1 21 347 ARG . 25496 1 22 348 ASN . 25496 1 23 349 CYS . 25496 1 24 350 PHE . 25496 1 25 351 ILE . 25496 1 26 352 TYR . 25496 1 27 353 CYS . 25496 1 28 354 SER . 25496 1 29 355 ASN . 25496 1 30 356 LEU . 25496 1 31 357 PRO . 25496 1 32 358 PHE . 25496 1 33 359 SER . 25496 1 34 360 THR . 25496 1 35 361 ALA . 25496 1 36 362 ARG . 25496 1 37 363 SER . 25496 1 38 364 ASP . 25496 1 39 365 LEU . 25496 1 40 366 PHE . 25496 1 41 367 ASP . 25496 1 42 368 LEU . 25496 1 43 369 PHE . 25496 1 44 370 GLY . 25496 1 45 371 PRO . 25496 1 46 372 ILE . 25496 1 47 373 GLY . 25496 1 48 374 LYS . 25496 1 49 375 ILE . 25496 1 50 376 ASN . 25496 1 51 377 ASN . 25496 1 52 378 ALA . 25496 1 53 379 GLU . 25496 1 54 380 LEU . 25496 1 55 381 LYS . 25496 1 56 382 PRO . 25496 1 57 383 GLN . 25496 1 58 384 GLU . 25496 1 59 385 ASN . 25496 1 60 386 GLY . 25496 1 61 387 GLN . 25496 1 62 388 PRO . 25496 1 63 389 THR . 25496 1 64 390 GLY . 25496 1 65 391 VAL . 25496 1 66 392 ALA . 25496 1 67 393 VAL . 25496 1 68 394 VAL . 25496 1 69 395 GLU . 25496 1 70 396 TYR . 25496 1 71 397 GLU . 25496 1 72 398 ASN . 25496 1 73 399 LEU . 25496 1 74 400 VAL . 25496 1 75 401 ASP . 25496 1 76 402 ALA . 25496 1 77 403 ASP . 25496 1 78 404 PHE . 25496 1 79 405 CYS . 25496 1 80 406 ILE . 25496 1 81 407 GLN . 25496 1 82 408 LYS . 25496 1 83 409 LEU . 25496 1 84 410 ASN . 25496 1 85 411 ASN . 25496 1 86 412 TYR . 25496 1 87 413 ASN . 25496 1 88 414 TYR . 25496 1 89 415 GLY . 25496 1 90 416 GLY . 25496 1 91 417 CYS . 25496 1 92 418 SER . 25496 1 93 419 LEU . 25496 1 94 420 GLN . 25496 1 95 421 ILE . 25496 1 96 422 SER . 25496 1 97 423 TYR . 25496 1 98 424 ALA . 25496 1 99 425 ARG . 25496 1 100 426 ARG . 25496 1 101 427 ASP . 25496 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25496 1 . SER 2 2 25496 1 . HIS 3 3 25496 1 . ILE 4 4 25496 1 . ASP 5 5 25496 1 . GLU 6 6 25496 1 . THR 7 7 25496 1 . ALA 8 8 25496 1 . ALA 9 9 25496 1 . LYS 10 10 25496 1 . PHE 11 11 25496 1 . THR 12 12 25496 1 . GLU 13 13 25496 1 . GLY 14 14 25496 1 . VAL 15 15 25496 1 . ASN 16 16 25496 1 . PRO 17 17 25496 1 . GLY 18 18 25496 1 . GLY 19 19 25496 1 . ASP 20 20 25496 1 . ARG 21 21 25496 1 . ASN 22 22 25496 1 . CYS 23 23 25496 1 . PHE 24 24 25496 1 . ILE 25 25 25496 1 . TYR 26 26 25496 1 . CYS 27 27 25496 1 . SER 28 28 25496 1 . ASN 29 29 25496 1 . LEU 30 30 25496 1 . PRO 31 31 25496 1 . PHE 32 32 25496 1 . SER 33 33 25496 1 . THR 34 34 25496 1 . ALA 35 35 25496 1 . ARG 36 36 25496 1 . SER 37 37 25496 1 . ASP 38 38 25496 1 . LEU 39 39 25496 1 . PHE 40 40 25496 1 . ASP 41 41 25496 1 . LEU 42 42 25496 1 . PHE 43 43 25496 1 . GLY 44 44 25496 1 . PRO 45 45 25496 1 . ILE 46 46 25496 1 . GLY 47 47 25496 1 . LYS 48 48 25496 1 . ILE 49 49 25496 1 . ASN 50 50 25496 1 . ASN 51 51 25496 1 . ALA 52 52 25496 1 . GLU 53 53 25496 1 . LEU 54 54 25496 1 . LYS 55 55 25496 1 . PRO 56 56 25496 1 . GLN 57 57 25496 1 . GLU 58 58 25496 1 . ASN 59 59 25496 1 . GLY 60 60 25496 1 . GLN 61 61 25496 1 . PRO 62 62 25496 1 . THR 63 63 25496 1 . GLY 64 64 25496 1 . VAL 65 65 25496 1 . ALA 66 66 25496 1 . VAL 67 67 25496 1 . VAL 68 68 25496 1 . GLU 69 69 25496 1 . TYR 70 70 25496 1 . GLU 71 71 25496 1 . ASN 72 72 25496 1 . LEU 73 73 25496 1 . VAL 74 74 25496 1 . ASP 75 75 25496 1 . ALA 76 76 25496 1 . ASP 77 77 25496 1 . PHE 78 78 25496 1 . CYS 79 79 25496 1 . ILE 80 80 25496 1 . GLN 81 81 25496 1 . LYS 82 82 25496 1 . LEU 83 83 25496 1 . ASN 84 84 25496 1 . ASN 85 85 25496 1 . TYR 86 86 25496 1 . ASN 87 87 25496 1 . TYR 88 88 25496 1 . GLY 89 89 25496 1 . GLY 90 90 25496 1 . CYS 91 91 25496 1 . SER 92 92 25496 1 . LEU 93 93 25496 1 . GLN 94 94 25496 1 . ILE 95 95 25496 1 . SER 96 96 25496 1 . TYR 97 97 25496 1 . ALA 98 98 25496 1 . ARG 99 99 25496 1 . ARG 100 100 25496 1 . ASP 101 101 25496 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 25496 _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 $RRM3 . 4932 organism . 'Saccharomyces cerevisiae' "Baker's Yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . GBP2 . 25496 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 25496 _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 $RRM3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pET28 . . . 25496 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25496 _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 RRM3 '[U-100% 13C; U-100% 15N]' . . 1 $RRM3 . . 0.8 . . mM . . . . 25496 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25496 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 25496 1 4 DTT 'natural abundance' . . . . . . 0.1 . . mM . . . . 25496 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25496 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25496 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25496 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 RRM3 '[U-100% 13C; U-100% 15N]' . . 1 $RRM3 . . 0.8 . . mM . . . . 25496 2 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25496 2 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 25496 2 4 DTT 'natural abundance' . . . . . . 0.1 . . mM . . . . 25496 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25496 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 25496 _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' 50 . mM 25496 1 pH 6.5 . pH 25496 1 pressure 1 . atm 25496 1 temperature 298 . K 25496 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25496 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25496 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25496 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25496 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25496 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25496 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25496 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25496 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25496 3 stop_ save_ save_CcpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNMR_Analysis _Software.Entry_ID 25496 _Software.ID 4 _Software.Name CcpNMR_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25496 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25496 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25496 _Software.ID 5 _Software.Name NMRPipe _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' . . 25496 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25496 5 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 25496 _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 25496 _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 . . . 25496 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 25496 _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 . . . . . . . . . . . . . . . . 25496 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25496 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25496 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25496 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25496 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25496 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25496 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25496 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25496 1 10 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25496 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25496 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 25496 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25496 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25496 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25496 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 25496 _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' . . . 25496 1 2 '2D 1H-13C HSQC' . . . 25496 1 4 '2D 1H-1H TOCSY' . . . 25496 1 5 '3D HNCA' . . . 25496 1 6 '3D HNCO' . . . 25496 1 7 '3D HNCACB' . . . 25496 1 8 '3D CBCA(CO)NH' . . . 25496 1 9 '3D HCCH-TOCSY' . . . 25496 1 10 '2D 1H-1H TOCSY' . . . 25496 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 1 1 GLY HA2 H 1 3.846 0.000 . 2 . . . A 327 GLY HA2 . 25496 1 2 . 1 1 1 1 GLY CA C 13 43.788 0.000 . 1 . . . A 327 GLY CA . 25496 1 3 . 1 1 2 2 SER HA H 1 4.529 0.005 . 1 . . . A 328 SER HA . 25496 1 4 . 1 1 2 2 SER HB2 H 1 3.863 0.004 . 2 . . . A 328 SER HB2 . 25496 1 5 . 1 1 2 2 SER CA C 13 58.118 0.000 . 1 . . . A 328 SER CA . 25496 1 6 . 1 1 2 2 SER CB C 13 64.117 0.000 . 1 . . . A 328 SER CB . 25496 1 7 . 1 1 3 3 HIS HA H 1 4.654 0.011 . 1 . . . A 329 HIS HA . 25496 1 8 . 1 1 3 3 HIS HB2 H 1 3.139 0.011 . 2 . . . A 329 HIS HB2 . 25496 1 9 . 1 1 3 3 HIS HD2 H 1 7.074 0.022 . 1 . . . A 329 HIS HD2 . 25496 1 10 . 1 1 3 3 HIS HE1 H 1 8.037 0.004 . 1 . . . A 329 HIS HE1 . 25496 1 11 . 1 1 3 3 HIS C C 13 173.744 0.000 . 1 . . . A 329 HIS C . 25496 1 12 . 1 1 3 3 HIS CA C 13 56.885 0.000 . 1 . . . A 329 HIS CA . 25496 1 13 . 1 1 3 3 HIS CB C 13 30.774 0.000 . 1 . . . A 329 HIS CB . 25496 1 14 . 1 1 4 4 ILE H H 1 8.061 0.015 . 1 . . . A 330 ILE H . 25496 1 15 . 1 1 4 4 ILE HA H 1 4.082 0.005 . 1 . . . A 330 ILE HA . 25496 1 16 . 1 1 4 4 ILE HB H 1 1.784 0.004 . 1 . . . A 330 ILE HB . 25496 1 17 . 1 1 4 4 ILE HG12 H 1 1.393 0.003 . 2 . . . A 330 ILE HG12 . 25496 1 18 . 1 1 4 4 ILE HG13 H 1 1.106 0.008 . 2 . . . A 330 ILE HG13 . 25496 1 19 . 1 1 4 4 ILE HG21 H 1 0.854 0.004 . 1 . . . A 330 ILE HG21 . 25496 1 20 . 1 1 4 4 ILE HG22 H 1 0.854 0.004 . 1 . . . A 330 ILE HG22 . 25496 1 21 . 1 1 4 4 ILE HG23 H 1 0.854 0.004 . 1 . . . A 330 ILE HG23 . 25496 1 22 . 1 1 4 4 ILE HD11 H 1 0.828 0.004 . 1 . . . A 330 ILE HD11 . 25496 1 23 . 1 1 4 4 ILE HD12 H 1 0.828 0.004 . 1 . . . A 330 ILE HD12 . 25496 1 24 . 1 1 4 4 ILE HD13 H 1 0.828 0.004 . 1 . . . A 330 ILE HD13 . 25496 1 25 . 1 1 4 4 ILE C C 13 175.646 0.000 . 1 . . . A 330 ILE C . 25496 1 26 . 1 1 4 4 ILE CA C 13 61.398 0.000 . 1 . . . A 330 ILE CA . 25496 1 27 . 1 1 4 4 ILE CB C 13 38.970 0.000 . 1 . . . A 330 ILE CB . 25496 1 28 . 1 1 4 4 ILE CG1 C 13 27.395 0.000 . 1 . . . A 330 ILE CG1 . 25496 1 29 . 1 1 4 4 ILE CG2 C 13 17.400 0.000 . 1 . . . A 330 ILE CG2 . 25496 1 30 . 1 1 4 4 ILE CD1 C 13 13.062 0.000 . 1 . . . A 330 ILE CD1 . 25496 1 31 . 1 1 4 4 ILE N N 15 122.460 0.012 . 1 . . . A 330 ILE N . 25496 1 32 . 1 1 5 5 ASP H H 1 8.410 0.008 . 1 . . . A 331 ASP H . 25496 1 33 . 1 1 5 5 ASP HA H 1 4.660 0.003 . 1 . . . A 331 ASP HA . 25496 1 34 . 1 1 5 5 ASP HB2 H 1 2.834 0.004 . 2 . . . A 331 ASP HB2 . 25496 1 35 . 1 1 5 5 ASP HB3 H 1 2.679 0.004 . 2 . . . A 331 ASP HB3 . 25496 1 36 . 1 1 5 5 ASP C C 13 176.442 0.000 . 1 . . . A 331 ASP C . 25496 1 37 . 1 1 5 5 ASP CA C 13 54.302 0.000 . 1 . . . A 331 ASP CA . 25496 1 38 . 1 1 5 5 ASP CB C 13 41.269 0.000 . 1 . . . A 331 ASP CB . 25496 1 39 . 1 1 5 5 ASP N N 15 124.249 0.007 . 1 . . . A 331 ASP N . 25496 1 40 . 1 1 6 6 GLU H H 1 8.545 0.003 . 1 . . . A 332 GLU H . 25496 1 41 . 1 1 6 6 GLU HA H 1 4.228 0.006 . 1 . . . A 332 GLU HA . 25496 1 42 . 1 1 6 6 GLU HB2 H 1 2.144 0.003 . 2 . . . A 332 GLU HB2 . 25496 1 43 . 1 1 6 6 GLU HB3 H 1 2.056 0.006 . 2 . . . A 332 GLU HB3 . 25496 1 44 . 1 1 6 6 GLU HG2 H 1 2.353 0.003 . 2 . . . A 332 GLU HG2 . 25496 1 45 . 1 1 6 6 GLU HG3 H 1 2.289 0.005 . 2 . . . A 332 GLU HG3 . 25496 1 46 . 1 1 6 6 GLU C C 13 177.825 0.000 . 1 . . . A 332 GLU C . 25496 1 47 . 1 1 6 6 GLU CA C 13 58.320 0.000 . 1 . . . A 332 GLU CA . 25496 1 48 . 1 1 6 6 GLU CB C 13 30.092 0.000 . 1 . . . A 332 GLU CB . 25496 1 49 . 1 1 6 6 GLU CG C 13 36.233 0.000 . 1 . . . A 332 GLU CG . 25496 1 50 . 1 1 6 6 GLU N N 15 123.804 0.024 . 1 . . . A 332 GLU N . 25496 1 51 . 1 1 7 7 THR H H 1 8.226 0.003 . 1 . . . A 333 THR H . 25496 1 52 . 1 1 7 7 THR HA H 1 4.011 0.004 . 1 . . . A 333 THR HA . 25496 1 53 . 1 1 7 7 THR HB H 1 4.288 0.003 . 1 . . . A 333 THR HB . 25496 1 54 . 1 1 7 7 THR HG21 H 1 1.206 0.004 . 1 . . . A 333 THR HG21 . 25496 1 55 . 1 1 7 7 THR HG22 H 1 1.206 0.004 . 1 . . . A 333 THR HG22 . 25496 1 56 . 1 1 7 7 THR HG23 H 1 1.206 0.004 . 1 . . . A 333 THR HG23 . 25496 1 57 . 1 1 7 7 THR C C 13 176.332 0.000 . 1 . . . A 333 THR C . 25496 1 58 . 1 1 7 7 THR CA C 13 65.479 0.000 . 1 . . . A 333 THR CA . 25496 1 59 . 1 1 7 7 THR CB C 13 68.808 0.000 . 1 . . . A 333 THR CB . 25496 1 60 . 1 1 7 7 THR CG2 C 13 21.881 0.000 . 1 . . . A 333 THR CG2 . 25496 1 61 . 1 1 7 7 THR N N 15 116.117 0.000 . 1 . . . A 333 THR N . 25496 1 62 . 1 1 8 8 ALA H H 1 8.273 0.004 . 1 . . . A 334 ALA H . 25496 1 63 . 1 1 8 8 ALA HA H 1 3.999 0.004 . 1 . . . A 334 ALA HA . 25496 1 64 . 1 1 8 8 ALA HB1 H 1 1.655 0.003 . 1 . . . A 334 ALA HB1 . 25496 1 65 . 1 1 8 8 ALA HB2 H 1 1.655 0.003 . 1 . . . A 334 ALA HB2 . 25496 1 66 . 1 1 8 8 ALA HB3 H 1 1.655 0.003 . 1 . . . A 334 ALA HB3 . 25496 1 67 . 1 1 8 8 ALA C C 13 180.271 0.000 . 1 . . . A 334 ALA C . 25496 1 68 . 1 1 8 8 ALA CA C 13 55.469 0.000 . 1 . . . A 334 ALA CA . 25496 1 69 . 1 1 8 8 ALA CB C 13 18.601 0.000 . 1 . . . A 334 ALA CB . 25496 1 70 . 1 1 8 8 ALA N N 15 125.189 0.000 . 1 . . . A 334 ALA N . 25496 1 71 . 1 1 9 9 ALA H H 1 8.369 0.004 . 1 . . . A 335 ALA H . 25496 1 72 . 1 1 9 9 ALA HA H 1 3.902 0.004 . 1 . . . A 335 ALA HA . 25496 1 73 . 1 1 9 9 ALA HB1 H 1 1.459 0.003 . 1 . . . A 335 ALA HB1 . 25496 1 74 . 1 1 9 9 ALA HB2 H 1 1.459 0.003 . 1 . . . A 335 ALA HB2 . 25496 1 75 . 1 1 9 9 ALA HB3 H 1 1.459 0.003 . 1 . . . A 335 ALA HB3 . 25496 1 76 . 1 1 9 9 ALA C C 13 179.157 0.000 . 1 . . . A 335 ALA C . 25496 1 77 . 1 1 9 9 ALA CA C 13 55.039 0.000 . 1 . . . A 335 ALA CA . 25496 1 78 . 1 1 9 9 ALA CB C 13 18.180 0.000 . 1 . . . A 335 ALA CB . 25496 1 79 . 1 1 9 9 ALA N N 15 121.487 0.007 . 1 . . . A 335 ALA N . 25496 1 80 . 1 1 10 10 LYS H H 1 8.035 0.006 . 1 . . . A 336 LYS H . 25496 1 81 . 1 1 10 10 LYS HA H 1 4.131 0.004 . 1 . . . A 336 LYS HA . 25496 1 82 . 1 1 10 10 LYS HB2 H 1 1.939 0.004 . 2 . . . A 336 LYS HB2 . 25496 1 83 . 1 1 10 10 LYS HG2 H 1 1.536 0.003 . 2 . . . A 336 LYS HG2 . 25496 1 84 . 1 1 10 10 LYS HG3 H 1 1.594 0.003 . 2 . . . A 336 LYS HG3 . 25496 1 85 . 1 1 10 10 LYS HD2 H 1 1.707 0.003 . 2 . . . A 336 LYS HD2 . 25496 1 86 . 1 1 10 10 LYS HE2 H 1 2.986 0.007 . 2 . . . A 336 LYS HE2 . 25496 1 87 . 1 1 10 10 LYS C C 13 178.777 0.000 . 1 . . . A 336 LYS C . 25496 1 88 . 1 1 10 10 LYS CA C 13 58.398 0.000 . 1 . . . A 336 LYS CA . 25496 1 89 . 1 1 10 10 LYS CB C 13 32.169 0.000 . 1 . . . A 336 LYS CB . 25496 1 90 . 1 1 10 10 LYS CG C 13 25.072 0.000 . 1 . . . A 336 LYS CG . 25496 1 91 . 1 1 10 10 LYS CD C 13 28.792 0.000 . 1 . . . A 336 LYS CD . 25496 1 92 . 1 1 10 10 LYS CE C 13 42.088 0.000 . 1 . . . A 336 LYS CE . 25496 1 93 . 1 1 10 10 LYS N N 15 116.913 0.005 . 1 . . . A 336 LYS N . 25496 1 94 . 1 1 11 11 PHE H H 1 8.163 0.003 . 1 . . . A 337 PHE H . 25496 1 95 . 1 1 11 11 PHE HA H 1 4.337 0.003 . 1 . . . A 337 PHE HA . 25496 1 96 . 1 1 11 11 PHE HB2 H 1 3.445 0.002 . 2 . . . A 337 PHE HB2 . 25496 1 97 . 1 1 11 11 PHE HB3 H 1 2.821 0.004 . 2 . . . A 337 PHE HB3 . 25496 1 98 . 1 1 11 11 PHE HD1 H 1 7.135 0.006 . 3 . . . A 337 PHE HD1 . 25496 1 99 . 1 1 11 11 PHE HD2 H 1 7.135 0.006 . 3 . . . A 337 PHE HD2 . 25496 1 100 . 1 1 11 11 PHE HE1 H 1 7.403 0.002 . 3 . . . A 337 PHE HE1 . 25496 1 101 . 1 1 11 11 PHE HE2 H 1 7.403 0.002 . 3 . . . A 337 PHE HE2 . 25496 1 102 . 1 1 11 11 PHE HZ H 1 7.160 0.004 . 1 . . . A 337 PHE HZ . 25496 1 103 . 1 1 11 11 PHE C C 13 175.524 0.000 . 1 . . . A 337 PHE C . 25496 1 104 . 1 1 11 11 PHE CA C 13 60.902 0.000 . 1 . . . A 337 PHE CA . 25496 1 105 . 1 1 11 11 PHE CB C 13 40.583 0.014 . 1 . . . A 337 PHE CB . 25496 1 106 . 1 1 11 11 PHE N N 15 118.691 0.001 . 1 . . . A 337 PHE N . 25496 1 107 . 1 1 12 12 THR H H 1 7.441 0.003 . 1 . . . A 338 THR H . 25496 1 108 . 1 1 12 12 THR HA H 1 4.053 0.003 . 1 . . . A 338 THR HA . 25496 1 109 . 1 1 12 12 THR HB H 1 4.260 0.005 . 1 . . . A 338 THR HB . 25496 1 110 . 1 1 12 12 THR HG21 H 1 1.191 0.004 . 1 . . . A 338 THR HG21 . 25496 1 111 . 1 1 12 12 THR HG22 H 1 1.191 0.004 . 1 . . . A 338 THR HG22 . 25496 1 112 . 1 1 12 12 THR HG23 H 1 1.191 0.004 . 1 . . . A 338 THR HG23 . 25496 1 113 . 1 1 12 12 THR C C 13 174.723 0.000 . 1 . . . A 338 THR C . 25496 1 114 . 1 1 12 12 THR CA C 13 61.710 0.000 . 1 . . . A 338 THR CA . 25496 1 115 . 1 1 12 12 THR CB C 13 70.426 0.000 . 1 . . . A 338 THR CB . 25496 1 116 . 1 1 12 12 THR CG2 C 13 22.297 0.000 . 1 . . . A 338 THR CG2 . 25496 1 117 . 1 1 12 12 THR N N 15 100.949 0.020 . 1 . . . A 338 THR N . 25496 1 118 . 1 1 13 13 GLU H H 1 7.454 0.010 . 1 . . . A 339 GLU H . 25496 1 119 . 1 1 13 13 GLU HA H 1 4.125 0.002 . 1 . . . A 339 GLU HA . 25496 1 120 . 1 1 13 13 GLU HB2 H 1 2.275 0.002 . 2 . . . A 339 GLU HB2 . 25496 1 121 . 1 1 13 13 GLU HB3 H 1 1.984 0.004 . 2 . . . A 339 GLU HB3 . 25496 1 122 . 1 1 13 13 GLU HG2 H 1 2.200 0.007 . 2 . . . A 339 GLU HG2 . 25496 1 123 . 1 1 13 13 GLU C C 13 177.485 0.000 . 1 . . . A 339 GLU C . 25496 1 124 . 1 1 13 13 GLU CA C 13 58.023 0.000 . 1 . . . A 339 GLU CA . 25496 1 125 . 1 1 13 13 GLU CB C 13 29.486 0.000 . 1 . . . A 339 GLU CB . 25496 1 126 . 1 1 13 13 GLU CG C 13 35.739 0.000 . 1 . . . A 339 GLU CG . 25496 1 127 . 1 1 13 13 GLU N N 15 125.851 0.016 . 1 . . . A 339 GLU N . 25496 1 128 . 1 1 14 14 GLY H H 1 9.007 0.009 . 1 . . . A 340 GLY H . 25496 1 129 . 1 1 14 14 GLY HA2 H 1 4.000 0.003 . 2 . . . A 340 GLY HA2 . 25496 1 130 . 1 1 14 14 GLY HA3 H 1 3.777 0.004 . 2 . . . A 340 GLY HA3 . 25496 1 131 . 1 1 14 14 GLY C C 13 173.236 0.000 . 1 . . . A 340 GLY C . 25496 1 132 . 1 1 14 14 GLY CA C 13 46.021 0.000 . 1 . . . A 340 GLY CA . 25496 1 133 . 1 1 14 14 GLY N N 15 114.957 0.003 . 1 . . . A 340 GLY N . 25496 1 134 . 1 1 15 15 VAL H H 1 7.237 0.004 . 1 . . . A 341 VAL H . 25496 1 135 . 1 1 15 15 VAL HA H 1 4.436 0.004 . 1 . . . A 341 VAL HA . 25496 1 136 . 1 1 15 15 VAL HB H 1 1.847 0.003 . 1 . . . A 341 VAL HB . 25496 1 137 . 1 1 15 15 VAL HG11 H 1 0.957 0.004 . 2 . . . A 341 VAL HG11 . 25496 1 138 . 1 1 15 15 VAL HG12 H 1 0.957 0.004 . 2 . . . A 341 VAL HG12 . 25496 1 139 . 1 1 15 15 VAL HG13 H 1 0.957 0.004 . 2 . . . A 341 VAL HG13 . 25496 1 140 . 1 1 15 15 VAL HG21 H 1 0.631 0.005 . 2 . . . A 341 VAL HG21 . 25496 1 141 . 1 1 15 15 VAL HG22 H 1 0.631 0.005 . 2 . . . A 341 VAL HG22 . 25496 1 142 . 1 1 15 15 VAL HG23 H 1 0.631 0.005 . 2 . . . A 341 VAL HG23 . 25496 1 143 . 1 1 15 15 VAL C C 13 174.547 0.000 . 1 . . . A 341 VAL C . 25496 1 144 . 1 1 15 15 VAL CA C 13 62.563 0.000 . 1 . . . A 341 VAL CA . 25496 1 145 . 1 1 15 15 VAL CB C 13 31.667 0.000 . 1 . . . A 341 VAL CB . 25496 1 146 . 1 1 15 15 VAL CG1 C 13 24.175 0.000 . 2 . . . A 341 VAL CG1 . 25496 1 147 . 1 1 15 15 VAL CG2 C 13 21.496 0.000 . 2 . . . A 341 VAL CG2 . 25496 1 148 . 1 1 15 15 VAL N N 15 117.477 0.006 . 1 . . . A 341 VAL N . 25496 1 149 . 1 1 16 16 ASN H H 1 8.774 0.003 . 1 . . . A 342 ASN H . 25496 1 150 . 1 1 16 16 ASN HA H 1 4.854 0.003 . 1 . . . A 342 ASN HA . 25496 1 151 . 1 1 16 16 ASN HB2 H 1 2.646 0.007 . 2 . . . A 342 ASN HB2 . 25496 1 152 . 1 1 16 16 ASN HB3 H 1 2.283 0.003 . 2 . . . A 342 ASN HB3 . 25496 1 153 . 1 1 16 16 ASN HD21 H 1 6.872 0.005 . 1 . . . A 342 ASN HD21 . 25496 1 154 . 1 1 16 16 ASN HD22 H 1 7.526 0.005 . 1 . . . A 342 ASN HD22 . 25496 1 155 . 1 1 16 16 ASN CB C 13 42.265 0.000 . 1 . . . A 342 ASN CB . 25496 1 156 . 1 1 16 16 ASN N N 15 127.142 0.002 . 1 . . . A 342 ASN N . 25496 1 157 . 1 1 16 16 ASN ND2 N 15 116.293 0.000 . 1 . . . A 342 ASN ND2 . 25496 1 158 . 1 1 17 17 PRO HA H 1 3.986 0.002 . 1 . . . A 343 PRO HA . 25496 1 159 . 1 1 17 17 PRO HB2 H 1 1.825 0.005 . 2 . . . A 343 PRO HB2 . 25496 1 160 . 1 1 17 17 PRO HB3 H 1 1.715 0.004 . 2 . . . A 343 PRO HB3 . 25496 1 161 . 1 1 17 17 PRO HG2 H 1 1.697 0.006 . 2 . . . A 343 PRO HG2 . 25496 1 162 . 1 1 17 17 PRO HG3 H 1 1.670 0.003 . 2 . . . A 343 PRO HG3 . 25496 1 163 . 1 1 17 17 PRO HD2 H 1 3.409 0.002 . 2 . . . A 343 PRO HD2 . 25496 1 164 . 1 1 17 17 PRO HD3 H 1 2.607 0.004 . 2 . . . A 343 PRO HD3 . 25496 1 165 . 1 1 17 17 PRO C C 13 177.433 0.000 . 1 . . . A 343 PRO C . 25496 1 166 . 1 1 17 17 PRO CA C 13 61.945 0.000 . 1 . . . A 343 PRO CA . 25496 1 167 . 1 1 17 17 PRO CB C 13 31.810 0.000 . 1 . . . A 343 PRO CB . 25496 1 168 . 1 1 17 17 PRO CG C 13 25.484 0.000 . 1 . . . A 343 PRO CG . 25496 1 169 . 1 1 17 17 PRO CD C 13 48.650 0.000 . 1 . . . A 343 PRO CD . 25496 1 170 . 1 1 18 18 GLY H H 1 8.084 0.003 . 1 . . . A 344 GLY H . 25496 1 171 . 1 1 18 18 GLY HA2 H 1 4.057 0.004 . 2 . . . A 344 GLY HA2 . 25496 1 172 . 1 1 18 18 GLY HA3 H 1 3.862 0.003 . 2 . . . A 344 GLY HA3 . 25496 1 173 . 1 1 18 18 GLY C C 13 176.810 0.000 . 1 . . . A 344 GLY C . 25496 1 174 . 1 1 18 18 GLY CA C 13 47.617 0.000 . 1 . . . A 344 GLY CA . 25496 1 175 . 1 1 18 18 GLY N N 15 104.635 0.000 . 1 . . . A 344 GLY N . 25496 1 176 . 1 1 19 19 GLY H H 1 8.933 0.002 . 1 . . . A 345 GLY H . 25496 1 177 . 1 1 19 19 GLY HA2 H 1 4.075 0.003 . 2 . . . A 345 GLY HA2 . 25496 1 178 . 1 1 19 19 GLY HA3 H 1 3.307 0.003 . 2 . . . A 345 GLY HA3 . 25496 1 179 . 1 1 19 19 GLY C C 13 173.452 0.000 . 1 . . . A 345 GLY C . 25496 1 180 . 1 1 19 19 GLY CA C 13 44.413 0.000 . 1 . . . A 345 GLY CA . 25496 1 181 . 1 1 19 19 GLY N N 15 108.317 0.006 . 1 . . . A 345 GLY N . 25496 1 182 . 1 1 20 20 ASP H H 1 8.233 0.005 . 1 . . . A 346 ASP H . 25496 1 183 . 1 1 20 20 ASP HA H 1 4.635 0.004 . 1 . . . A 346 ASP HA . 25496 1 184 . 1 1 20 20 ASP HB2 H 1 2.661 0.005 . 2 . . . A 346 ASP HB2 . 25496 1 185 . 1 1 20 20 ASP HB3 H 1 2.457 0.004 . 2 . . . A 346 ASP HB3 . 25496 1 186 . 1 1 20 20 ASP C C 13 174.546 0.000 . 1 . . . A 346 ASP C . 25496 1 187 . 1 1 20 20 ASP CA C 13 53.301 0.000 . 1 . . . A 346 ASP CA . 25496 1 188 . 1 1 20 20 ASP CB C 13 42.015 0.000 . 1 . . . A 346 ASP CB . 25496 1 189 . 1 1 20 20 ASP N N 15 118.647 0.008 . 1 . . . A 346 ASP N . 25496 1 190 . 1 1 21 21 ARG H H 1 7.957 0.003 . 1 . . . A 347 ARG H . 25496 1 191 . 1 1 21 21 ARG HA H 1 1.291 0.004 . 1 . . . A 347 ARG HA . 25496 1 192 . 1 1 21 21 ARG HB2 H 1 1.410 0.006 . 2 . . . A 347 ARG HB2 . 25496 1 193 . 1 1 21 21 ARG HB3 H 1 1.282 0.004 . 2 . . . A 347 ARG HB3 . 25496 1 194 . 1 1 21 21 ARG HG2 H 1 1.326 0.004 . 2 . . . A 347 ARG HG2 . 25496 1 195 . 1 1 21 21 ARG HG3 H 1 1.178 0.003 . 2 . . . A 347 ARG HG3 . 25496 1 196 . 1 1 21 21 ARG HD2 H 1 3.154 0.003 . 2 . . . A 347 ARG HD2 . 25496 1 197 . 1 1 21 21 ARG HD3 H 1 3.041 0.004 . 2 . . . A 347 ARG HD3 . 25496 1 198 . 1 1 21 21 ARG HE H 1 8.805 0.001 . 1 . . . A 347 ARG HE . 25496 1 199 . 1 1 21 21 ARG HH11 H 1 6.821 0.000 . 1 . . . A 347 ARG HH11 . 25496 1 200 . 1 1 21 21 ARG HH21 H 1 6.821 0.000 . 1 . . . A 347 ARG HH21 . 25496 1 201 . 1 1 21 21 ARG C C 13 175.352 0.000 . 1 . . . A 347 ARG C . 25496 1 202 . 1 1 21 21 ARG CA C 13 57.308 0.000 . 1 . . . A 347 ARG CA . 25496 1 203 . 1 1 21 21 ARG CB C 13 30.369 0.000 . 1 . . . A 347 ARG CB . 25496 1 204 . 1 1 21 21 ARG CG C 13 27.463 0.000 . 1 . . . A 347 ARG CG . 25496 1 205 . 1 1 21 21 ARG CD C 13 44.079 0.000 . 1 . . . A 347 ARG CD . 25496 1 206 . 1 1 21 21 ARG N N 15 120.155 0.023 . 1 . . . A 347 ARG N . 25496 1 207 . 1 1 21 21 ARG NE N 15 86.975 0.000 . 1 . . . A 347 ARG NE . 25496 1 208 . 1 1 21 21 ARG NH1 N 15 70.689 0.000 . 1 . . . A 347 ARG NH1 . 25496 1 209 . 1 1 21 21 ARG NH2 N 15 72.146 0.000 . 1 . . . A 347 ARG NH2 . 25496 1 210 . 1 1 22 22 ASN H H 1 7.257 0.004 . 1 . . . A 348 ASN H . 25496 1 211 . 1 1 22 22 ASN HA H 1 4.597 0.004 . 1 . . . A 348 ASN HA . 25496 1 212 . 1 1 22 22 ASN HB2 H 1 3.300 0.003 . 2 . . . A 348 ASN HB2 . 25496 1 213 . 1 1 22 22 ASN HB3 H 1 2.936 0.004 . 2 . . . A 348 ASN HB3 . 25496 1 214 . 1 1 22 22 ASN HD21 H 1 7.821 0.006 . 1 . . . A 348 ASN HD21 . 25496 1 215 . 1 1 22 22 ASN HD22 H 1 8.256 0.003 . 1 . . . A 348 ASN HD22 . 25496 1 216 . 1 1 22 22 ASN C C 13 170.699 0.000 . 1 . . . A 348 ASN C . 25496 1 217 . 1 1 22 22 ASN CA C 13 53.554 0.000 . 1 . . . A 348 ASN CA . 25496 1 218 . 1 1 22 22 ASN CB C 13 38.940 0.000 . 1 . . . A 348 ASN CB . 25496 1 219 . 1 1 22 22 ASN N N 15 122.972 0.008 . 1 . . . A 348 ASN N . 25496 1 220 . 1 1 22 22 ASN ND2 N 15 117.515 0.000 . 1 . . . A 348 ASN ND2 . 25496 1 221 . 1 1 23 23 CYS H H 1 8.547 0.005 . 1 . . . A 349 CYS H . 25496 1 222 . 1 1 23 23 CYS HA H 1 4.193 0.002 . 1 . . . A 349 CYS HA . 25496 1 223 . 1 1 23 23 CYS HB2 H 1 3.754 0.005 . 2 . . . A 349 CYS HB2 . 25496 1 224 . 1 1 23 23 CYS HB3 H 1 2.896 0.008 . 2 . . . A 349 CYS HB3 . 25496 1 225 . 1 1 23 23 CYS C C 13 173.282 0.000 . 1 . . . A 349 CYS C . 25496 1 226 . 1 1 23 23 CYS CA C 13 63.320 0.000 . 1 . . . A 349 CYS CA . 25496 1 227 . 1 1 23 23 CYS CB C 13 28.119 0.000 . 1 . . . A 349 CYS CB . 25496 1 228 . 1 1 23 23 CYS N N 15 113.504 0.005 . 1 . . . A 349 CYS N . 25496 1 229 . 1 1 24 24 PHE H H 1 8.412 0.004 . 1 . . . A 350 PHE H . 25496 1 230 . 1 1 24 24 PHE HA H 1 5.248 0.004 . 1 . . . A 350 PHE HA . 25496 1 231 . 1 1 24 24 PHE HB2 H 1 3.673 0.005 . 2 . . . A 350 PHE HB2 . 25496 1 232 . 1 1 24 24 PHE HB3 H 1 2.288 0.003 . 2 . . . A 350 PHE HB3 . 25496 1 233 . 1 1 24 24 PHE HD1 H 1 7.192 0.004 . 3 . . . A 350 PHE HD1 . 25496 1 234 . 1 1 24 24 PHE HD2 H 1 7.192 0.004 . 3 . . . A 350 PHE HD2 . 25496 1 235 . 1 1 24 24 PHE HE1 H 1 7.290 0.003 . 3 . . . A 350 PHE HE1 . 25496 1 236 . 1 1 24 24 PHE HE2 H 1 7.290 0.003 . 3 . . . A 350 PHE HE2 . 25496 1 237 . 1 1 24 24 PHE C C 13 174.684 0.000 . 1 . . . A 350 PHE C . 25496 1 238 . 1 1 24 24 PHE CA C 13 57.124 0.000 . 1 . . . A 350 PHE CA . 25496 1 239 . 1 1 24 24 PHE CB C 13 40.153 0.027 . 1 . . . A 350 PHE CB . 25496 1 240 . 1 1 24 24 PHE N N 15 117.559 0.002 . 1 . . . A 350 PHE N . 25496 1 241 . 1 1 25 25 ILE H H 1 9.703 0.003 . 1 . . . A 351 ILE H . 25496 1 242 . 1 1 25 25 ILE HA H 1 4.877 0.006 . 1 . . . A 351 ILE HA . 25496 1 243 . 1 1 25 25 ILE HB H 1 2.088 0.004 . 1 . . . A 351 ILE HB . 25496 1 244 . 1 1 25 25 ILE HG12 H 1 1.807 0.004 . 2 . . . A 351 ILE HG12 . 25496 1 245 . 1 1 25 25 ILE HG13 H 1 1.674 0.004 . 2 . . . A 351 ILE HG13 . 25496 1 246 . 1 1 25 25 ILE HG21 H 1 0.962 0.005 . 1 . . . A 351 ILE HG21 . 25496 1 247 . 1 1 25 25 ILE HG22 H 1 0.962 0.005 . 1 . . . A 351 ILE HG22 . 25496 1 248 . 1 1 25 25 ILE HG23 H 1 0.962 0.005 . 1 . . . A 351 ILE HG23 . 25496 1 249 . 1 1 25 25 ILE HD11 H 1 0.712 0.004 . 1 . . . A 351 ILE HD11 . 25496 1 250 . 1 1 25 25 ILE HD12 H 1 0.712 0.004 . 1 . . . A 351 ILE HD12 . 25496 1 251 . 1 1 25 25 ILE HD13 H 1 0.712 0.004 . 1 . . . A 351 ILE HD13 . 25496 1 252 . 1 1 25 25 ILE C C 13 173.775 0.000 . 1 . . . A 351 ILE C . 25496 1 253 . 1 1 25 25 ILE CA C 13 56.862 0.000 . 1 . . . A 351 ILE CA . 25496 1 254 . 1 1 25 25 ILE CB C 13 40.043 0.000 . 1 . . . A 351 ILE CB . 25496 1 255 . 1 1 25 25 ILE CG1 C 13 26.571 0.000 . 1 . . . A 351 ILE CG1 . 25496 1 256 . 1 1 25 25 ILE CG2 C 13 19.420 0.000 . 1 . . . A 351 ILE CG2 . 25496 1 257 . 1 1 25 25 ILE CD1 C 13 11.712 0.000 . 1 . . . A 351 ILE CD1 . 25496 1 258 . 1 1 25 25 ILE N N 15 121.862 0.005 . 1 . . . A 351 ILE N . 25496 1 259 . 1 1 26 26 TYR H H 1 9.395 0.003 . 1 . . . A 352 TYR H . 25496 1 260 . 1 1 26 26 TYR HA H 1 4.729 0.005 . 1 . . . A 352 TYR HA . 25496 1 261 . 1 1 26 26 TYR HB2 H 1 3.104 0.005 . 2 . . . A 352 TYR HB2 . 25496 1 262 . 1 1 26 26 TYR HB3 H 1 2.222 0.004 . 2 . . . A 352 TYR HB3 . 25496 1 263 . 1 1 26 26 TYR HD1 H 1 6.856 0.003 . 3 . . . A 352 TYR HD1 . 25496 1 264 . 1 1 26 26 TYR HD2 H 1 6.856 0.003 . 3 . . . A 352 TYR HD2 . 25496 1 265 . 1 1 26 26 TYR HE1 H 1 6.684 0.003 . 3 . . . A 352 TYR HE1 . 25496 1 266 . 1 1 26 26 TYR HE2 H 1 6.684 0.003 . 3 . . . A 352 TYR HE2 . 25496 1 267 . 1 1 26 26 TYR C C 13 173.208 0.000 . 1 . . . A 352 TYR C . 25496 1 268 . 1 1 26 26 TYR CB C 13 41.940 0.013 . 1 . . . A 352 TYR CB . 25496 1 269 . 1 1 26 26 TYR N N 15 127.422 0.004 . 1 . . . A 352 TYR N . 25496 1 270 . 1 1 27 27 CYS H H 1 8.709 0.006 . 1 . . . A 353 CYS H . 25496 1 271 . 1 1 27 27 CYS HA H 1 5.634 0.003 . 1 . . . A 353 CYS HA . 25496 1 272 . 1 1 27 27 CYS HB2 H 1 2.671 0.003 . 2 . . . A 353 CYS HB2 . 25496 1 273 . 1 1 27 27 CYS HB3 H 1 2.260 0.006 . 2 . . . A 353 CYS HB3 . 25496 1 274 . 1 1 27 27 CYS HG H 1 1.433 0.002 . 1 . . . A 353 CYS HG . 25496 1 275 . 1 1 27 27 CYS C C 13 172.038 0.000 . 1 . . . A 353 CYS C . 25496 1 276 . 1 1 27 27 CYS CA C 13 55.862 0.000 . 1 . . . A 353 CYS CA . 25496 1 277 . 1 1 27 27 CYS CB C 13 29.687 0.000 . 1 . . . A 353 CYS CB . 25496 1 278 . 1 1 27 27 CYS N N 15 128.796 0.006 . 1 . . . A 353 CYS N . 25496 1 279 . 1 1 28 28 SER H H 1 9.462 0.003 . 1 . . . A 354 SER H . 25496 1 280 . 1 1 28 28 SER HA H 1 5.574 0.004 . 1 . . . A 354 SER HA . 25496 1 281 . 1 1 28 28 SER HB2 H 1 4.334 0.005 . 2 . . . A 354 SER HB2 . 25496 1 282 . 1 1 28 28 SER HB3 H 1 3.975 0.004 . 2 . . . A 354 SER HB3 . 25496 1 283 . 1 1 28 28 SER C C 13 173.380 0.000 . 1 . . . A 354 SER C . 25496 1 284 . 1 1 28 28 SER CA C 13 56.788 0.000 . 1 . . . A 354 SER CA . 25496 1 285 . 1 1 28 28 SER CB C 13 67.119 0.000 . 1 . . . A 354 SER CB . 25496 1 286 . 1 1 28 28 SER N N 15 122.219 0.007 . 1 . . . A 354 SER N . 25496 1 287 . 1 1 29 29 ASN H H 1 8.566 0.004 . 1 . . . A 355 ASN H . 25496 1 288 . 1 1 29 29 ASN HA H 1 4.376 0.008 . 1 . . . A 355 ASN HA . 25496 1 289 . 1 1 29 29 ASN HB2 H 1 3.676 0.005 . 2 . . . A 355 ASN HB2 . 25496 1 290 . 1 1 29 29 ASN HB3 H 1 2.737 0.003 . 2 . . . A 355 ASN HB3 . 25496 1 291 . 1 1 29 29 ASN HD21 H 1 6.755 0.006 . 1 . . . A 355 ASN HD21 . 25496 1 292 . 1 1 29 29 ASN HD22 H 1 7.919 0.003 . 1 . . . A 355 ASN HD22 . 25496 1 293 . 1 1 29 29 ASN C C 13 174.593 0.000 . 1 . . . A 355 ASN C . 25496 1 294 . 1 1 29 29 ASN CA C 13 53.733 0.000 . 1 . . . A 355 ASN CA . 25496 1 295 . 1 1 29 29 ASN CB C 13 38.325 0.000 . 1 . . . A 355 ASN CB . 25496 1 296 . 1 1 29 29 ASN N N 15 114.875 0.000 . 1 . . . A 355 ASN N . 25496 1 297 . 1 1 29 29 ASN ND2 N 15 110.817 0.000 . 1 . . . A 355 ASN ND2 . 25496 1 298 . 1 1 30 30 LEU H H 1 8.783 0.004 . 1 . . . A 356 LEU H . 25496 1 299 . 1 1 30 30 LEU HA H 1 4.252 0.002 . 1 . . . A 356 LEU HA . 25496 1 300 . 1 1 30 30 LEU HB2 H 1 1.428 0.004 . 2 . . . A 356 LEU HB2 . 25496 1 301 . 1 1 30 30 LEU HB3 H 1 1.302 0.003 . 2 . . . A 356 LEU HB3 . 25496 1 302 . 1 1 30 30 LEU HG H 1 1.548 0.003 . 1 . . . A 356 LEU HG . 25496 1 303 . 1 1 30 30 LEU HD11 H 1 0.846 0.006 . 2 . . . A 356 LEU HD11 . 25496 1 304 . 1 1 30 30 LEU HD12 H 1 0.846 0.006 . 2 . . . A 356 LEU HD12 . 25496 1 305 . 1 1 30 30 LEU HD13 H 1 0.846 0.006 . 2 . . . A 356 LEU HD13 . 25496 1 306 . 1 1 30 30 LEU HD21 H 1 0.636 0.005 . 2 . . . A 356 LEU HD21 . 25496 1 307 . 1 1 30 30 LEU HD22 H 1 0.636 0.005 . 2 . . . A 356 LEU HD22 . 25496 1 308 . 1 1 30 30 LEU HD23 H 1 0.636 0.005 . 2 . . . A 356 LEU HD23 . 25496 1 309 . 1 1 30 30 LEU CA C 13 54.227 0.000 . 1 . . . A 356 LEU CA . 25496 1 310 . 1 1 30 30 LEU CB C 13 40.986 0.000 . 1 . . . A 356 LEU CB . 25496 1 311 . 1 1 30 30 LEU CG C 13 27.668 0.000 . 1 . . . A 356 LEU CG . 25496 1 312 . 1 1 30 30 LEU CD1 C 13 24.665 0.000 . 2 . . . A 356 LEU CD1 . 25496 1 313 . 1 1 30 30 LEU CD2 C 13 27.740 0.000 . 2 . . . A 356 LEU CD2 . 25496 1 314 . 1 1 30 30 LEU N N 15 115.330 0.000 . 1 . . . A 356 LEU N . 25496 1 315 . 1 1 31 31 PRO HA H 1 4.462 0.003 . 1 . . . A 357 PRO HA . 25496 1 316 . 1 1 31 31 PRO HB2 H 1 2.423 0.005 . 2 . . . A 357 PRO HB2 . 25496 1 317 . 1 1 31 31 PRO HB3 H 1 1.799 0.002 . 2 . . . A 357 PRO HB3 . 25496 1 318 . 1 1 31 31 PRO HG2 H 1 2.176 0.003 . 2 . . . A 357 PRO HG2 . 25496 1 319 . 1 1 31 31 PRO HG3 H 1 1.910 0.004 . 2 . . . A 357 PRO HG3 . 25496 1 320 . 1 1 31 31 PRO HD2 H 1 3.891 0.003 . 2 . . . A 357 PRO HD2 . 25496 1 321 . 1 1 31 31 PRO HD3 H 1 3.691 0.006 . 2 . . . A 357 PRO HD3 . 25496 1 322 . 1 1 31 31 PRO CA C 13 62.861 0.000 . 1 . . . A 357 PRO CA . 25496 1 323 . 1 1 31 31 PRO CB C 13 31.705 0.000 . 1 . . . A 357 PRO CB . 25496 1 324 . 1 1 31 31 PRO CG C 13 28.070 0.000 . 1 . . . A 357 PRO CG . 25496 1 325 . 1 1 31 31 PRO CD C 13 50.228 0.000 . 1 . . . A 357 PRO CD . 25496 1 326 . 1 1 32 32 PHE H H 1 9.179 0.002 . 1 . . . A 358 PHE H . 25496 1 327 . 1 1 32 32 PHE HA H 1 4.477 0.004 . 1 . . . A 358 PHE HA . 25496 1 328 . 1 1 32 32 PHE HB2 H 1 3.262 0.004 . 2 . . . A 358 PHE HB2 . 25496 1 329 . 1 1 32 32 PHE HB3 H 1 3.195 0.004 . 2 . . . A 358 PHE HB3 . 25496 1 330 . 1 1 32 32 PHE HD1 H 1 7.196 0.003 . 3 . . . A 358 PHE HD1 . 25496 1 331 . 1 1 32 32 PHE HD2 H 1 7.196 0.003 . 3 . . . A 358 PHE HD2 . 25496 1 332 . 1 1 32 32 PHE HE1 H 1 7.298 0.003 . 3 . . . A 358 PHE HE1 . 25496 1 333 . 1 1 32 32 PHE HE2 H 1 7.298 0.003 . 3 . . . A 358 PHE HE2 . 25496 1 334 . 1 1 32 32 PHE CA C 13 58.773 0.000 . 1 . . . A 358 PHE CA . 25496 1 335 . 1 1 32 32 PHE CB C 13 37.249 0.002 . 1 . . . A 358 PHE CB . 25496 1 336 . 1 1 33 33 SER H H 1 7.886 0.003 . 1 . . . A 359 SER H . 25496 1 337 . 1 1 33 33 SER HA H 1 4.322 0.005 . 1 . . . A 359 SER HA . 25496 1 338 . 1 1 33 33 SER HB2 H 1 4.126 0.004 . 2 . . . A 359 SER HB2 . 25496 1 339 . 1 1 33 33 SER HB3 H 1 3.775 0.005 . 2 . . . A 359 SER HB3 . 25496 1 340 . 1 1 33 33 SER C C 13 174.469 0.000 . 1 . . . A 359 SER C . 25496 1 341 . 1 1 33 33 SER CA C 13 58.445 0.000 . 1 . . . A 359 SER CA . 25496 1 342 . 1 1 33 33 SER CB C 13 63.157 0.000 . 1 . . . A 359 SER CB . 25496 1 343 . 1 1 33 33 SER N N 15 112.113 0.000 . 1 . . . A 359 SER N . 25496 1 344 . 1 1 34 34 THR H H 1 7.578 0.010 . 1 . . . A 360 THR H . 25496 1 345 . 1 1 34 34 THR HA H 1 3.985 0.003 . 1 . . . A 360 THR HA . 25496 1 346 . 1 1 34 34 THR HB H 1 4.008 0.006 . 1 . . . A 360 THR HB . 25496 1 347 . 1 1 34 34 THR HG1 H 1 6.130 0.002 . 1 . . . A 360 THR HG1 . 25496 1 348 . 1 1 34 34 THR HG21 H 1 1.398 0.002 . 1 . . . A 360 THR HG21 . 25496 1 349 . 1 1 34 34 THR HG22 H 1 1.398 0.002 . 1 . . . A 360 THR HG22 . 25496 1 350 . 1 1 34 34 THR HG23 H 1 1.398 0.002 . 1 . . . A 360 THR HG23 . 25496 1 351 . 1 1 34 34 THR C C 13 172.629 0.000 . 1 . . . A 360 THR C . 25496 1 352 . 1 1 34 34 THR CA C 13 65.828 0.000 . 1 . . . A 360 THR CA . 25496 1 353 . 1 1 34 34 THR CB C 13 69.263 0.000 . 1 . . . A 360 THR CB . 25496 1 354 . 1 1 34 34 THR CG2 C 13 22.373 0.000 . 1 . . . A 360 THR CG2 . 25496 1 355 . 1 1 34 34 THR N N 15 120.161 0.008 . 1 . . . A 360 THR N . 25496 1 356 . 1 1 35 35 ALA H H 1 9.728 0.003 . 1 . . . A 361 ALA H . 25496 1 357 . 1 1 35 35 ALA HA H 1 4.858 0.006 . 1 . . . A 361 ALA HA . 25496 1 358 . 1 1 35 35 ALA HB1 H 1 1.572 0.004 . 1 . . . A 361 ALA HB1 . 25496 1 359 . 1 1 35 35 ALA HB2 H 1 1.572 0.004 . 1 . . . A 361 ALA HB2 . 25496 1 360 . 1 1 35 35 ALA HB3 H 1 1.572 0.004 . 1 . . . A 361 ALA HB3 . 25496 1 361 . 1 1 35 35 ALA C C 13 178.432 0.000 . 1 . . . A 361 ALA C . 25496 1 362 . 1 1 35 35 ALA CB C 13 21.595 0.000 . 1 . . . A 361 ALA CB . 25496 1 363 . 1 1 35 35 ALA N N 15 131.908 0.000 . 1 . . . A 361 ALA N . 25496 1 364 . 1 1 36 36 ARG H H 1 9.146 0.004 . 1 . . . A 362 ARG H . 25496 1 365 . 1 1 36 36 ARG HA H 1 3.742 0.005 . 1 . . . A 362 ARG HA . 25496 1 366 . 1 1 36 36 ARG HB2 H 1 2.005 0.003 . 2 . . . A 362 ARG HB2 . 25496 1 367 . 1 1 36 36 ARG HB3 H 1 1.846 0.007 . 2 . . . A 362 ARG HB3 . 25496 1 368 . 1 1 36 36 ARG HG2 H 1 1.676 0.005 . 2 . . . A 362 ARG HG2 . 25496 1 369 . 1 1 36 36 ARG HG3 H 1 1.655 0.006 . 2 . . . A 362 ARG HG3 . 25496 1 370 . 1 1 36 36 ARG HD2 H 1 3.484 0.003 . 2 . . . A 362 ARG HD2 . 25496 1 371 . 1 1 36 36 ARG HD3 H 1 3.284 0.004 . 2 . . . A 362 ARG HD3 . 25496 1 372 . 1 1 36 36 ARG HE H 1 7.387 0.003 . 1 . . . A 362 ARG HE . 25496 1 373 . 1 1 36 36 ARG C C 13 178.911 0.000 . 1 . . . A 362 ARG C . 25496 1 374 . 1 1 36 36 ARG CA C 13 61.052 0.000 . 1 . . . A 362 ARG CA . 25496 1 375 . 1 1 36 36 ARG CB C 13 29.222 0.000 . 1 . . . A 362 ARG CB . 25496 1 376 . 1 1 36 36 ARG CG C 13 28.769 0.000 . 1 . . . A 362 ARG CG . 25496 1 377 . 1 1 36 36 ARG CD C 13 43.809 0.000 . 1 . . . A 362 ARG CD . 25496 1 378 . 1 1 36 36 ARG N N 15 123.089 0.011 . 1 . . . A 362 ARG N . 25496 1 379 . 1 1 36 36 ARG NE N 15 87.138 0.000 . 1 . . . A 362 ARG NE . 25496 1 380 . 1 1 37 37 SER H H 1 8.542 0.003 . 1 . . . A 363 SER H . 25496 1 381 . 1 1 37 37 SER HA H 1 4.245 0.004 . 1 . . . A 363 SER HA . 25496 1 382 . 1 1 37 37 SER HB2 H 1 4.019 0.005 . 2 . . . A 363 SER HB2 . 25496 1 383 . 1 1 37 37 SER HB3 H 1 3.879 0.006 . 2 . . . A 363 SER HB3 . 25496 1 384 . 1 1 37 37 SER C C 13 177.428 0.000 . 1 . . . A 363 SER C . 25496 1 385 . 1 1 37 37 SER CA C 13 61.746 0.000 . 1 . . . A 363 SER CA . 25496 1 386 . 1 1 37 37 SER CB C 13 61.841 0.000 . 1 . . . A 363 SER CB . 25496 1 387 . 1 1 37 37 SER N N 15 110.693 0.003 . 1 . . . A 363 SER N . 25496 1 388 . 1 1 38 38 ASP H H 1 7.324 0.003 . 1 . . . A 364 ASP H . 25496 1 389 . 1 1 38 38 ASP HA H 1 4.506 0.004 . 1 . . . A 364 ASP HA . 25496 1 390 . 1 1 38 38 ASP HB2 H 1 3.304 0.003 . 2 . . . A 364 ASP HB2 . 25496 1 391 . 1 1 38 38 ASP HB3 H 1 2.976 0.004 . 2 . . . A 364 ASP HB3 . 25496 1 392 . 1 1 38 38 ASP C C 13 178.851 0.000 . 1 . . . A 364 ASP C . 25496 1 393 . 1 1 38 38 ASP CA C 13 57.314 0.000 . 1 . . . A 364 ASP CA . 25496 1 394 . 1 1 38 38 ASP CB C 13 41.201 0.000 . 1 . . . A 364 ASP CB . 25496 1 395 . 1 1 38 38 ASP N N 15 120.802 0.006 . 1 . . . A 364 ASP N . 25496 1 396 . 1 1 39 39 LEU H H 1 7.860 0.002 . 1 . . . A 365 LEU H . 25496 1 397 . 1 1 39 39 LEU HA H 1 3.986 0.002 . 1 . . . A 365 LEU HA . 25496 1 398 . 1 1 39 39 LEU HB2 H 1 2.022 0.004 . 2 . . . A 365 LEU HB2 . 25496 1 399 . 1 1 39 39 LEU HB3 H 1 0.915 0.003 . 2 . . . A 365 LEU HB3 . 25496 1 400 . 1 1 39 39 LEU HG H 1 1.857 0.002 . 1 . . . A 365 LEU HG . 25496 1 401 . 1 1 39 39 LEU HD11 H 1 0.616 0.006 . 2 . . . A 365 LEU HD11 . 25496 1 402 . 1 1 39 39 LEU HD12 H 1 0.616 0.006 . 2 . . . A 365 LEU HD12 . 25496 1 403 . 1 1 39 39 LEU HD13 H 1 0.616 0.006 . 2 . . . A 365 LEU HD13 . 25496 1 404 . 1 1 39 39 LEU HD21 H 1 0.568 0.004 . 2 . . . A 365 LEU HD21 . 25496 1 405 . 1 1 39 39 LEU HD22 H 1 0.568 0.004 . 2 . . . A 365 LEU HD22 . 25496 1 406 . 1 1 39 39 LEU HD23 H 1 0.568 0.004 . 2 . . . A 365 LEU HD23 . 25496 1 407 . 1 1 39 39 LEU C C 13 179.427 0.000 . 1 . . . A 365 LEU C . 25496 1 408 . 1 1 39 39 LEU CA C 13 57.272 0.000 . 1 . . . A 365 LEU CA . 25496 1 409 . 1 1 39 39 LEU CB C 13 41.145 0.000 . 1 . . . A 365 LEU CB . 25496 1 410 . 1 1 39 39 LEU CG C 13 25.979 0.000 . 1 . . . A 365 LEU CG . 25496 1 411 . 1 1 39 39 LEU CD1 C 13 22.362 0.000 . 2 . . . A 365 LEU CD1 . 25496 1 412 . 1 1 39 39 LEU CD2 C 13 25.967 0.000 . 2 . . . A 365 LEU CD2 . 25496 1 413 . 1 1 39 39 LEU N N 15 116.278 0.004 . 1 . . . A 365 LEU N . 25496 1 414 . 1 1 40 40 PHE H H 1 7.327 0.003 . 1 . . . A 366 PHE H . 25496 1 415 . 1 1 40 40 PHE HA H 1 3.865 0.003 . 1 . . . A 366 PHE HA . 25496 1 416 . 1 1 40 40 PHE HB2 H 1 3.198 0.003 . 2 . . . A 366 PHE HB2 . 25496 1 417 . 1 1 40 40 PHE HB3 H 1 3.093 0.002 . 2 . . . A 366 PHE HB3 . 25496 1 418 . 1 1 40 40 PHE HD1 H 1 7.360 0.003 . 3 . . . A 366 PHE HD1 . 25496 1 419 . 1 1 40 40 PHE HD2 H 1 7.360 0.003 . 3 . . . A 366 PHE HD2 . 25496 1 420 . 1 1 40 40 PHE HE1 H 1 7.140 0.003 . 3 . . . A 366 PHE HE1 . 25496 1 421 . 1 1 40 40 PHE HE2 H 1 7.140 0.003 . 3 . . . A 366 PHE HE2 . 25496 1 422 . 1 1 40 40 PHE C C 13 178.806 0.000 . 1 . . . A 366 PHE C . 25496 1 423 . 1 1 40 40 PHE CA C 13 62.476 0.000 . 1 . . . A 366 PHE CA . 25496 1 424 . 1 1 40 40 PHE CB C 13 38.288 0.027 . 1 . . . A 366 PHE CB . 25496 1 425 . 1 1 40 40 PHE N N 15 117.171 0.000 . 1 . . . A 366 PHE N . 25496 1 426 . 1 1 41 41 ASP H H 1 7.445 0.004 . 1 . . . A 367 ASP H . 25496 1 427 . 1 1 41 41 ASP HA H 1 4.480 0.004 . 1 . . . A 367 ASP HA . 25496 1 428 . 1 1 41 41 ASP HB2 H 1 2.862 0.003 . 2 . . . A 367 ASP HB2 . 25496 1 429 . 1 1 41 41 ASP HB3 H 1 2.763 0.007 . 2 . . . A 367 ASP HB3 . 25496 1 430 . 1 1 41 41 ASP C C 13 176.534 0.000 . 1 . . . A 367 ASP C . 25496 1 431 . 1 1 41 41 ASP CA C 13 57.056 0.000 . 1 . . . A 367 ASP CA . 25496 1 432 . 1 1 41 41 ASP CB C 13 40.638 0.000 . 1 . . . A 367 ASP CB . 25496 1 433 . 1 1 41 41 ASP N N 15 120.564 0.007 . 1 . . . A 367 ASP N . 25496 1 434 . 1 1 42 42 LEU H H 1 7.606 0.003 . 1 . . . A 368 LEU H . 25496 1 435 . 1 1 42 42 LEU HA H 1 4.025 0.002 . 1 . . . A 368 LEU HA . 25496 1 436 . 1 1 42 42 LEU HB2 H 1 1.176 0.003 . 2 . . . A 368 LEU HB2 . 25496 1 437 . 1 1 42 42 LEU HB3 H 1 1.076 0.003 . 2 . . . A 368 LEU HB3 . 25496 1 438 . 1 1 42 42 LEU HG H 1 0.151 0.006 . 1 . . . A 368 LEU HG . 25496 1 439 . 1 1 42 42 LEU HD11 H 1 0.242 0.003 . 2 . . . A 368 LEU HD11 . 25496 1 440 . 1 1 42 42 LEU HD12 H 1 0.242 0.003 . 2 . . . A 368 LEU HD12 . 25496 1 441 . 1 1 42 42 LEU HD13 H 1 0.242 0.003 . 2 . . . A 368 LEU HD13 . 25496 1 442 . 1 1 42 42 LEU HD21 H 1 -0.285 0.003 . 2 . . . A 368 LEU HD21 . 25496 1 443 . 1 1 42 42 LEU HD22 H 1 -0.285 0.003 . 2 . . . A 368 LEU HD22 . 25496 1 444 . 1 1 42 42 LEU HD23 H 1 -0.285 0.003 . 2 . . . A 368 LEU HD23 . 25496 1 445 . 1 1 42 42 LEU C C 13 176.145 0.000 . 1 . . . A 368 LEU C . 25496 1 446 . 1 1 42 42 LEU CA C 13 56.873 0.000 . 1 . . . A 368 LEU CA . 25496 1 447 . 1 1 42 42 LEU CB C 13 43.319 0.000 . 1 . . . A 368 LEU CB . 25496 1 448 . 1 1 42 42 LEU CG C 13 25.556 0.000 . 1 . . . A 368 LEU CG . 25496 1 449 . 1 1 42 42 LEU CD1 C 13 21.850 0.000 . 2 . . . A 368 LEU CD1 . 25496 1 450 . 1 1 42 42 LEU CD2 C 13 24.966 0.000 . 2 . . . A 368 LEU CD2 . 25496 1 451 . 1 1 42 42 LEU N N 15 119.432 0.007 . 1 . . . A 368 LEU N . 25496 1 452 . 1 1 43 43 PHE H H 1 8.345 0.003 . 1 . . . A 369 PHE H . 25496 1 453 . 1 1 43 43 PHE HA H 1 4.232 0.006 . 1 . . . A 369 PHE HA . 25496 1 454 . 1 1 43 43 PHE HB2 H 1 3.208 0.003 . 2 . . . A 369 PHE HB2 . 25496 1 455 . 1 1 43 43 PHE HB3 H 1 2.628 0.004 . 2 . . . A 369 PHE HB3 . 25496 1 456 . 1 1 43 43 PHE HD1 H 1 7.484 0.003 . 3 . . . A 369 PHE HD1 . 25496 1 457 . 1 1 43 43 PHE HD2 H 1 7.484 0.003 . 3 . . . A 369 PHE HD2 . 25496 1 458 . 1 1 43 43 PHE HE1 H 1 6.866 0.003 . 3 . . . A 369 PHE HE1 . 25496 1 459 . 1 1 43 43 PHE HE2 H 1 6.866 0.003 . 3 . . . A 369 PHE HE2 . 25496 1 460 . 1 1 43 43 PHE HZ H 1 7.144 0.003 . 1 . . . A 369 PHE HZ . 25496 1 461 . 1 1 43 43 PHE C C 13 178.931 0.000 . 1 . . . A 369 PHE C . 25496 1 462 . 1 1 43 43 PHE CA C 13 59.997 0.000 . 1 . . . A 369 PHE CA . 25496 1 463 . 1 1 43 43 PHE CB C 13 38.252 0.020 . 1 . . . A 369 PHE CB . 25496 1 464 . 1 1 43 43 PHE N N 15 112.071 0.005 . 1 . . . A 369 PHE N . 25496 1 465 . 1 1 44 44 GLY H H 1 7.930 0.006 . 1 . . . A 370 GLY H . 25496 1 466 . 1 1 44 44 GLY HA2 H 1 4.467 0.004 . 2 . . . A 370 GLY HA2 . 25496 1 467 . 1 1 44 44 GLY HA3 H 1 4.351 0.004 . 2 . . . A 370 GLY HA3 . 25496 1 468 . 1 1 44 44 GLY CA C 13 47.798 0.000 . 1 . . . A 370 GLY CA . 25496 1 469 . 1 1 44 44 GLY N N 15 112.888 0.013 . 1 . . . A 370 GLY N . 25496 1 470 . 1 1 45 45 PRO HA H 1 4.303 0.005 . 1 . . . A 371 PRO HA . 25496 1 471 . 1 1 45 45 PRO HB2 H 1 2.405 0.002 . 2 . . . A 371 PRO HB2 . 25496 1 472 . 1 1 45 45 PRO HB3 H 1 1.573 0.003 . 2 . . . A 371 PRO HB3 . 25496 1 473 . 1 1 45 45 PRO HG2 H 1 2.070 0.004 . 2 . . . A 371 PRO HG2 . 25496 1 474 . 1 1 45 45 PRO HG3 H 1 1.907 0.003 . 2 . . . A 371 PRO HG3 . 25496 1 475 . 1 1 45 45 PRO HD2 H 1 3.655 0.004 . 2 . . . A 371 PRO HD2 . 25496 1 476 . 1 1 45 45 PRO HD3 H 1 3.241 0.003 . 2 . . . A 371 PRO HD3 . 25496 1 477 . 1 1 45 45 PRO C C 13 177.165 0.000 . 1 . . . A 371 PRO C . 25496 1 478 . 1 1 45 45 PRO CA C 13 64.983 0.000 . 1 . . . A 371 PRO CA . 25496 1 479 . 1 1 45 45 PRO CB C 13 31.938 0.000 . 1 . . . A 371 PRO CB . 25496 1 480 . 1 1 45 45 PRO CG C 13 28.422 0.000 . 1 . . . A 371 PRO CG . 25496 1 481 . 1 1 45 45 PRO CD C 13 52.202 0.000 . 1 . . . A 371 PRO CD . 25496 1 482 . 1 1 46 46 ILE H H 1 6.958 0.003 . 1 . . . A 372 ILE H . 25496 1 483 . 1 1 46 46 ILE HA H 1 3.768 0.003 . 1 . . . A 372 ILE HA . 25496 1 484 . 1 1 46 46 ILE HB H 1 2.205 0.004 . 1 . . . A 372 ILE HB . 25496 1 485 . 1 1 46 46 ILE HG12 H 1 1.406 0.003 . 2 . . . A 372 ILE HG12 . 25496 1 486 . 1 1 46 46 ILE HG21 H 1 0.767 0.003 . 1 . . . A 372 ILE HG21 . 25496 1 487 . 1 1 46 46 ILE HG22 H 1 0.767 0.003 . 1 . . . A 372 ILE HG22 . 25496 1 488 . 1 1 46 46 ILE HG23 H 1 0.767 0.003 . 1 . . . A 372 ILE HG23 . 25496 1 489 . 1 1 46 46 ILE HD11 H 1 0.693 0.004 . 1 . . . A 372 ILE HD11 . 25496 1 490 . 1 1 46 46 ILE HD12 H 1 0.693 0.004 . 1 . . . A 372 ILE HD12 . 25496 1 491 . 1 1 46 46 ILE HD13 H 1 0.693 0.004 . 1 . . . A 372 ILE HD13 . 25496 1 492 . 1 1 46 46 ILE C C 13 175.350 0.000 . 1 . . . A 372 ILE C . 25496 1 493 . 1 1 46 46 ILE CA C 13 61.367 0.000 . 1 . . . A 372 ILE CA . 25496 1 494 . 1 1 46 46 ILE CB C 13 37.369 0.000 . 1 . . . A 372 ILE CB . 25496 1 495 . 1 1 46 46 ILE CG1 C 13 28.738 0.000 . 1 . . . A 372 ILE CG1 . 25496 1 496 . 1 1 46 46 ILE CG2 C 13 19.162 0.000 . 1 . . . A 372 ILE CG2 . 25496 1 497 . 1 1 46 46 ILE CD1 C 13 11.256 0.000 . 1 . . . A 372 ILE CD1 . 25496 1 498 . 1 1 46 46 ILE N N 15 114.504 0.003 . 1 . . . A 372 ILE N . 25496 1 499 . 1 1 47 47 GLY H H 1 7.378 0.004 . 1 . . . A 373 GLY H . 25496 1 500 . 1 1 47 47 GLY HA2 H 1 4.235 0.005 . 2 . . . A 373 GLY HA2 . 25496 1 501 . 1 1 47 47 GLY HA3 H 1 3.883 0.003 . 2 . . . A 373 GLY HA3 . 25496 1 502 . 1 1 47 47 GLY C C 13 170.883 0.000 . 1 . . . A 373 GLY C . 25496 1 503 . 1 1 47 47 GLY CA C 13 44.944 0.000 . 1 . . . A 373 GLY CA . 25496 1 504 . 1 1 47 47 GLY N N 15 104.318 0.000 . 1 . . . A 373 GLY N . 25496 1 505 . 1 1 48 48 LYS H H 1 8.142 0.004 . 1 . . . A 374 LYS H . 25496 1 506 . 1 1 48 48 LYS HA H 1 4.189 0.005 . 1 . . . A 374 LYS HA . 25496 1 507 . 1 1 48 48 LYS HB2 H 1 1.849 0.004 . 2 . . . A 374 LYS HB2 . 25496 1 508 . 1 1 48 48 LYS HG2 H 1 1.415 0.003 . 2 . . . A 374 LYS HG2 . 25496 1 509 . 1 1 48 48 LYS HG3 H 1 1.317 0.005 . 2 . . . A 374 LYS HG3 . 25496 1 510 . 1 1 48 48 LYS HD2 H 1 1.719 0.005 . 2 . . . A 374 LYS HD2 . 25496 1 511 . 1 1 48 48 LYS HD3 H 1 1.629 0.005 . 2 . . . A 374 LYS HD3 . 25496 1 512 . 1 1 48 48 LYS HE2 H 1 2.997 0.005 . 2 . . . A 374 LYS HE2 . 25496 1 513 . 1 1 48 48 LYS C C 13 176.856 0.000 . 1 . . . A 374 LYS C . 25496 1 514 . 1 1 48 48 LYS CA C 13 58.072 0.000 . 1 . . . A 374 LYS CA . 25496 1 515 . 1 1 48 48 LYS CB C 13 32.810 0.000 . 1 . . . A 374 LYS CB . 25496 1 516 . 1 1 48 48 LYS CG C 13 24.887 0.000 . 1 . . . A 374 LYS CG . 25496 1 517 . 1 1 48 48 LYS CD C 13 29.228 0.000 . 1 . . . A 374 LYS CD . 25496 1 518 . 1 1 48 48 LYS CE C 13 42.295 0.000 . 1 . . . A 374 LYS CE . 25496 1 519 . 1 1 48 48 LYS N N 15 117.509 0.007 . 1 . . . A 374 LYS N . 25496 1 520 . 1 1 49 49 ILE H H 1 8.618 0.003 . 1 . . . A 375 ILE H . 25496 1 521 . 1 1 49 49 ILE HA H 1 4.034 0.003 . 1 . . . A 375 ILE HA . 25496 1 522 . 1 1 49 49 ILE HB H 1 1.614 0.002 . 1 . . . A 375 ILE HB . 25496 1 523 . 1 1 49 49 ILE HG12 H 1 1.784 0.002 . 2 . . . A 375 ILE HG12 . 25496 1 524 . 1 1 49 49 ILE HG13 H 1 0.183 0.005 . 2 . . . A 375 ILE HG13 . 25496 1 525 . 1 1 49 49 ILE HG21 H 1 0.292 0.003 . 1 . . . A 375 ILE HG21 . 25496 1 526 . 1 1 49 49 ILE HG22 H 1 0.292 0.003 . 1 . . . A 375 ILE HG22 . 25496 1 527 . 1 1 49 49 ILE HG23 H 1 0.292 0.003 . 1 . . . A 375 ILE HG23 . 25496 1 528 . 1 1 49 49 ILE HD11 H 1 0.283 0.003 . 1 . . . A 375 ILE HD11 . 25496 1 529 . 1 1 49 49 ILE HD12 H 1 0.283 0.003 . 1 . . . A 375 ILE HD12 . 25496 1 530 . 1 1 49 49 ILE HD13 H 1 0.283 0.003 . 1 . . . A 375 ILE HD13 . 25496 1 531 . 1 1 49 49 ILE C C 13 176.114 0.000 . 1 . . . A 375 ILE C . 25496 1 532 . 1 1 49 49 ILE CA C 13 60.410 0.000 . 1 . . . A 375 ILE CA . 25496 1 533 . 1 1 49 49 ILE CB C 13 40.568 0.000 . 1 . . . A 375 ILE CB . 25496 1 534 . 1 1 49 49 ILE CG1 C 13 27.564 0.000 . 1 . . . A 375 ILE CG1 . 25496 1 535 . 1 1 49 49 ILE CG2 C 13 18.446 0.000 . 1 . . . A 375 ILE CG2 . 25496 1 536 . 1 1 49 49 ILE CD1 C 13 14.061 0.000 . 1 . . . A 375 ILE CD1 . 25496 1 537 . 1 1 49 49 ILE N N 15 128.142 0.012 . 1 . . . A 375 ILE N . 25496 1 538 . 1 1 50 50 ASN H H 1 8.887 0.002 . 1 . . . A 376 ASN H . 25496 1 539 . 1 1 50 50 ASN HA H 1 4.741 0.003 . 1 . . . A 376 ASN HA . 25496 1 540 . 1 1 50 50 ASN HB2 H 1 2.584 0.005 . 2 . . . A 376 ASN HB2 . 25496 1 541 . 1 1 50 50 ASN HB3 H 1 2.025 0.003 . 2 . . . A 376 ASN HB3 . 25496 1 542 . 1 1 50 50 ASN HD21 H 1 7.157 0.004 . 1 . . . A 376 ASN HD21 . 25496 1 543 . 1 1 50 50 ASN HD22 H 1 7.121 0.001 . 1 . . . A 376 ASN HD22 . 25496 1 544 . 1 1 50 50 ASN C C 13 175.240 0.000 . 1 . . . A 376 ASN C . 25496 1 545 . 1 1 50 50 ASN CA C 13 53.588 0.000 . 1 . . . A 376 ASN CA . 25496 1 546 . 1 1 50 50 ASN CB C 13 39.260 0.000 . 1 . . . A 376 ASN CB . 25496 1 547 . 1 1 50 50 ASN N N 15 125.368 0.000 . 1 . . . A 376 ASN N . 25496 1 548 . 1 1 50 50 ASN ND2 N 15 109.187 0.000 . 1 . . . A 376 ASN ND2 . 25496 1 549 . 1 1 51 51 ASN H H 1 7.318 0.004 . 1 . . . A 377 ASN H . 25496 1 550 . 1 1 51 51 ASN HA H 1 4.583 0.005 . 1 . . . A 377 ASN HA . 25496 1 551 . 1 1 51 51 ASN HB2 H 1 2.517 0.003 . 2 . . . A 377 ASN HB2 . 25496 1 552 . 1 1 51 51 ASN HB3 H 1 1.539 0.007 . 2 . . . A 377 ASN HB3 . 25496 1 553 . 1 1 51 51 ASN HD21 H 1 7.038 0.002 . 1 . . . A 377 ASN HD21 . 25496 1 554 . 1 1 51 51 ASN HD22 H 1 7.389 0.006 . 1 . . . A 377 ASN HD22 . 25496 1 555 . 1 1 51 51 ASN C C 13 171.812 0.000 . 1 . . . A 377 ASN C . 25496 1 556 . 1 1 51 51 ASN CA C 13 52.860 0.000 . 1 . . . A 377 ASN CA . 25496 1 557 . 1 1 51 51 ASN CB C 13 45.153 0.000 . 1 . . . A 377 ASN CB . 25496 1 558 . 1 1 51 51 ASN N N 15 115.475 0.009 . 1 . . . A 377 ASN N . 25496 1 559 . 1 1 51 51 ASN ND2 N 15 115.955 0.000 . 1 . . . A 377 ASN ND2 . 25496 1 560 . 1 1 52 52 ALA H H 1 8.599 0.003 . 1 . . . A 378 ALA H . 25496 1 561 . 1 1 52 52 ALA HA H 1 4.936 0.003 . 1 . . . A 378 ALA HA . 25496 1 562 . 1 1 52 52 ALA HB1 H 1 0.728 0.004 . 1 . . . A 378 ALA HB1 . 25496 1 563 . 1 1 52 52 ALA HB2 H 1 0.728 0.004 . 1 . . . A 378 ALA HB2 . 25496 1 564 . 1 1 52 52 ALA HB3 H 1 0.728 0.004 . 1 . . . A 378 ALA HB3 . 25496 1 565 . 1 1 52 52 ALA C C 13 174.171 0.000 . 1 . . . A 378 ALA C . 25496 1 566 . 1 1 52 52 ALA CA C 13 52.279 0.000 . 1 . . . A 378 ALA CA . 25496 1 567 . 1 1 52 52 ALA CB C 13 21.364 0.000 . 1 . . . A 378 ALA CB . 25496 1 568 . 1 1 52 52 ALA N N 15 123.304 0.005 . 1 . . . A 378 ALA N . 25496 1 569 . 1 1 53 53 GLU H H 1 8.281 0.004 . 1 . . . A 379 GLU H . 25496 1 570 . 1 1 53 53 GLU HA H 1 4.703 0.007 . 1 . . . A 379 GLU HA . 25496 1 571 . 1 1 53 53 GLU HB2 H 1 1.445 0.005 . 2 . . . A 379 GLU HB2 . 25496 1 572 . 1 1 53 53 GLU HB3 H 1 2.302 0.002 . 2 . . . A 379 GLU HB3 . 25496 1 573 . 1 1 53 53 GLU HG2 H 1 1.978 0.003 . 2 . . . A 379 GLU HG2 . 25496 1 574 . 1 1 53 53 GLU HG3 H 1 1.652 0.003 . 2 . . . A 379 GLU HG3 . 25496 1 575 . 1 1 53 53 GLU C C 13 175.279 0.000 . 1 . . . A 379 GLU C . 25496 1 576 . 1 1 53 53 GLU CA C 13 53.706 0.000 . 1 . . . A 379 GLU CA . 25496 1 577 . 1 1 53 53 GLU CB C 13 34.662 0.000 . 1 . . . A 379 GLU CB . 25496 1 578 . 1 1 53 53 GLU CG C 13 34.799 0.000 . 1 . . . A 379 GLU CG . 25496 1 579 . 1 1 53 53 GLU N N 15 115.865 0.000 . 1 . . . A 379 GLU N . 25496 1 580 . 1 1 54 54 LEU H H 1 9.226 0.002 . 1 . . . A 380 LEU H . 25496 1 581 . 1 1 54 54 LEU HA H 1 4.740 0.002 . 1 . . . A 380 LEU HA . 25496 1 582 . 1 1 54 54 LEU HB2 H 1 1.648 0.003 . 2 . . . A 380 LEU HB2 . 25496 1 583 . 1 1 54 54 LEU HB3 H 1 1.494 0.004 . 2 . . . A 380 LEU HB3 . 25496 1 584 . 1 1 54 54 LEU HG H 1 1.552 0.006 . 1 . . . A 380 LEU HG . 25496 1 585 . 1 1 54 54 LEU HD11 H 1 0.869 0.004 . 2 . . . A 380 LEU HD11 . 25496 1 586 . 1 1 54 54 LEU HD12 H 1 0.869 0.004 . 2 . . . A 380 LEU HD12 . 25496 1 587 . 1 1 54 54 LEU HD13 H 1 0.869 0.004 . 2 . . . A 380 LEU HD13 . 25496 1 588 . 1 1 54 54 LEU HD21 H 1 0.769 0.002 . 2 . . . A 380 LEU HD21 . 25496 1 589 . 1 1 54 54 LEU HD22 H 1 0.769 0.002 . 2 . . . A 380 LEU HD22 . 25496 1 590 . 1 1 54 54 LEU HD23 H 1 0.769 0.002 . 2 . . . A 380 LEU HD23 . 25496 1 591 . 1 1 54 54 LEU C C 13 177.196 0.000 . 1 . . . A 380 LEU C . 25496 1 592 . 1 1 54 54 LEU CA C 13 53.694 0.000 . 1 . . . A 380 LEU CA . 25496 1 593 . 1 1 54 54 LEU CB C 13 42.181 0.000 . 1 . . . A 380 LEU CB . 25496 1 594 . 1 1 54 54 LEU CG C 13 27.588 0.000 . 1 . . . A 380 LEU CG . 25496 1 595 . 1 1 54 54 LEU CD1 C 13 26.077 0.000 . 2 . . . A 380 LEU CD1 . 25496 1 596 . 1 1 54 54 LEU CD2 C 13 23.313 0.000 . 2 . . . A 380 LEU CD2 . 25496 1 597 . 1 1 54 54 LEU N N 15 121.221 0.004 . 1 . . . A 380 LEU N . 25496 1 598 . 1 1 55 55 LYS H H 1 8.666 0.003 . 1 . . . A 381 LYS H . 25496 1 599 . 1 1 55 55 LYS HA H 1 4.661 0.004 . 1 . . . A 381 LYS HA . 25496 1 600 . 1 1 55 55 LYS HB2 H 1 1.889 0.004 . 2 . . . A 381 LYS HB2 . 25496 1 601 . 1 1 55 55 LYS HB3 H 1 1.311 0.005 . 2 . . . A 381 LYS HB3 . 25496 1 602 . 1 1 55 55 LYS HG2 H 1 1.509 0.007 . 2 . . . A 381 LYS HG2 . 25496 1 603 . 1 1 55 55 LYS HG3 H 1 1.640 0.003 . 2 . . . A 381 LYS HG3 . 25496 1 604 . 1 1 55 55 LYS HD2 H 1 1.707 0.003 . 2 . . . A 381 LYS HD2 . 25496 1 605 . 1 1 55 55 LYS HE2 H 1 3.194 0.003 . 2 . . . A 381 LYS HE2 . 25496 1 606 . 1 1 55 55 LYS HE3 H 1 3.150 0.008 . 2 . . . A 381 LYS HE3 . 25496 1 607 . 1 1 55 55 LYS CA C 13 53.835 0.000 . 1 . . . A 381 LYS CA . 25496 1 608 . 1 1 55 55 LYS CB C 13 34.425 0.000 . 1 . . . A 381 LYS CB . 25496 1 609 . 1 1 55 55 LYS CG C 13 30.510 0.000 . 1 . . . A 381 LYS CG . 25496 1 610 . 1 1 55 55 LYS CD C 13 24.710 0.000 . 1 . . . A 381 LYS CD . 25496 1 611 . 1 1 55 55 LYS CE C 13 42.536 0.000 . 1 . . . A 381 LYS CE . 25496 1 612 . 1 1 55 55 LYS N N 15 125.411 0.000 . 1 . . . A 381 LYS N . 25496 1 613 . 1 1 56 56 PRO HA H 1 4.892 0.002 . 1 . . . A 382 PRO HA . 25496 1 614 . 1 1 56 56 PRO HB2 H 1 2.281 0.002 . 2 . . . A 382 PRO HB2 . 25496 1 615 . 1 1 56 56 PRO HB3 H 1 1.985 0.004 . 2 . . . A 382 PRO HB3 . 25496 1 616 . 1 1 56 56 PRO HG2 H 1 1.937 0.003 . 2 . . . A 382 PRO HG2 . 25496 1 617 . 1 1 56 56 PRO HD2 H 1 4.061 0.002 . 2 . . . A 382 PRO HD2 . 25496 1 618 . 1 1 56 56 PRO HD3 H 1 3.700 0.005 . 2 . . . A 382 PRO HD3 . 25496 1 619 . 1 1 56 56 PRO C C 13 175.862 0.000 . 1 . . . A 382 PRO C . 25496 1 620 . 1 1 56 56 PRO CA C 13 62.380 0.000 . 1 . . . A 382 PRO CA . 25496 1 621 . 1 1 56 56 PRO CB C 13 33.002 0.000 . 1 . . . A 382 PRO CB . 25496 1 622 . 1 1 56 56 PRO CG C 13 26.456 0.000 . 1 . . . A 382 PRO CG . 25496 1 623 . 1 1 56 56 PRO CD C 13 50.458 0.000 . 1 . . . A 382 PRO CD . 25496 1 624 . 1 1 57 57 GLN H H 1 8.730 0.003 . 1 . . . A 383 GLN H . 25496 1 625 . 1 1 57 57 GLN HA H 1 4.674 0.007 . 1 . . . A 383 GLN HA . 25496 1 626 . 1 1 57 57 GLN HB2 H 1 2.160 0.003 . 2 . . . A 383 GLN HB2 . 25496 1 627 . 1 1 57 57 GLN HB3 H 1 1.853 0.003 . 2 . . . A 383 GLN HB3 . 25496 1 628 . 1 1 57 57 GLN HG2 H 1 2.398 0.003 . 2 . . . A 383 GLN HG2 . 25496 1 629 . 1 1 57 57 GLN HG3 H 1 2.333 0.003 . 2 . . . A 383 GLN HG3 . 25496 1 630 . 1 1 57 57 GLN HE21 H 1 6.800 0.004 . 1 . . . A 383 GLN HE21 . 25496 1 631 . 1 1 57 57 GLN HE22 H 1 6.977 0.002 . 1 . . . A 383 GLN HE22 . 25496 1 632 . 1 1 57 57 GLN CA C 13 55.004 0.000 . 1 . . . A 383 GLN CA . 25496 1 633 . 1 1 57 57 GLN CB C 13 31.028 0.000 . 1 . . . A 383 GLN CB . 25496 1 634 . 1 1 57 57 GLN CG C 13 32.734 0.000 . 1 . . . A 383 GLN CG . 25496 1 635 . 1 1 57 57 GLN N N 15 116.126 0.012 . 1 . . . A 383 GLN N . 25496 1 636 . 1 1 57 57 GLN NE2 N 15 113.570 0.000 . 1 . . . A 383 GLN NE2 . 25496 1 637 . 1 1 58 58 GLU H H 1 8.775 0.002 . 1 . . . A 384 GLU H . 25496 1 638 . 1 1 58 58 GLU HA H 1 4.094 0.003 . 1 . . . A 384 GLU HA . 25496 1 639 . 1 1 58 58 GLU HB2 H 1 2.034 0.004 . 2 . . . A 384 GLU HB2 . 25496 1 640 . 1 1 58 58 GLU HG2 H 1 2.297 0.002 . 2 . . . A 384 GLU HG2 . 25496 1 641 . 1 1 58 58 GLU CA C 13 59.023 0.000 . 1 . . . A 384 GLU CA . 25496 1 642 . 1 1 58 58 GLU CB C 13 30.110 0.000 . 1 . . . A 384 GLU CB . 25496 1 643 . 1 1 58 58 GLU CG C 13 36.352 0.000 . 1 . . . A 384 GLU CG . 25496 1 644 . 1 1 58 58 GLU N N 15 122.808 0.000 . 1 . . . A 384 GLU N . 25496 1 645 . 1 1 59 59 ASN H H 1 8.669 0.004 . 1 . . . A 385 ASN H . 25496 1 646 . 1 1 59 59 ASN HA H 1 4.521 0.002 . 1 . . . A 385 ASN HA . 25496 1 647 . 1 1 59 59 ASN HB2 H 1 3.164 0.005 . 2 . . . A 385 ASN HB2 . 25496 1 648 . 1 1 59 59 ASN HB3 H 1 2.877 0.004 . 2 . . . A 385 ASN HB3 . 25496 1 649 . 1 1 59 59 ASN HD21 H 1 6.601 0.005 . 1 . . . A 385 ASN HD21 . 25496 1 650 . 1 1 59 59 ASN HD22 H 1 7.372 0.004 . 1 . . . A 385 ASN HD22 . 25496 1 651 . 1 1 59 59 ASN C C 13 176.919 0.000 . 1 . . . A 385 ASN C . 25496 1 652 . 1 1 59 59 ASN CA C 13 53.173 0.000 . 1 . . . A 385 ASN CA . 25496 1 653 . 1 1 59 59 ASN CB C 13 37.502 0.000 . 1 . . . A 385 ASN CB . 25496 1 654 . 1 1 59 59 ASN N N 15 116.384 0.000 . 1 . . . A 385 ASN N . 25496 1 655 . 1 1 59 59 ASN ND2 N 15 108.684 0.000 . 1 . . . A 385 ASN ND2 . 25496 1 656 . 1 1 60 60 GLY H H 1 8.202 0.006 . 1 . . . A 386 GLY H . 25496 1 657 . 1 1 60 60 GLY HA2 H 1 4.127 0.005 . 2 . . . A 386 GLY HA2 . 25496 1 658 . 1 1 60 60 GLY HA3 H 1 3.834 0.004 . 2 . . . A 386 GLY HA3 . 25496 1 659 . 1 1 60 60 GLY C C 13 174.412 0.000 . 1 . . . A 386 GLY C . 25496 1 660 . 1 1 60 60 GLY CA C 13 45.845 0.000 . 1 . . . A 386 GLY CA . 25496 1 661 . 1 1 60 60 GLY N N 15 106.569 0.014 . 1 . . . A 386 GLY N . 25496 1 662 . 1 1 61 61 GLN H H 1 7.998 0.003 . 1 . . . A 387 GLN H . 25496 1 663 . 1 1 61 61 GLN HA H 1 4.590 0.004 . 1 . . . A 387 GLN HA . 25496 1 664 . 1 1 61 61 GLN HB2 H 1 2.067 0.002 . 2 . . . A 387 GLN HB2 . 25496 1 665 . 1 1 61 61 GLN HB3 H 1 1.955 0.004 . 2 . . . A 387 GLN HB3 . 25496 1 666 . 1 1 61 61 GLN HG2 H 1 2.297 0.006 . 2 . . . A 387 GLN HG2 . 25496 1 667 . 1 1 61 61 GLN HG3 H 1 2.205 0.003 . 2 . . . A 387 GLN HG3 . 25496 1 668 . 1 1 61 61 GLN HE21 H 1 6.864 0.004 . 1 . . . A 387 GLN HE21 . 25496 1 669 . 1 1 61 61 GLN HE22 H 1 7.479 0.002 . 1 . . . A 387 GLN HE22 . 25496 1 670 . 1 1 61 61 GLN CA C 13 53.497 0.000 . 1 . . . A 387 GLN CA . 25496 1 671 . 1 1 61 61 GLN CB C 13 27.754 0.000 . 1 . . . A 387 GLN CB . 25496 1 672 . 1 1 61 61 GLN CG C 13 33.459 0.000 . 1 . . . A 387 GLN CG . 25496 1 673 . 1 1 61 61 GLN N N 15 120.270 0.010 . 1 . . . A 387 GLN N . 25496 1 674 . 1 1 61 61 GLN NE2 N 15 112.729 0.000 . 1 . . . A 387 GLN NE2 . 25496 1 675 . 1 1 62 62 PRO HA H 1 4.526 0.005 . 1 . . . A 388 PRO HA . 25496 1 676 . 1 1 62 62 PRO HB2 H 1 2.370 0.005 . 2 . . . A 388 PRO HB2 . 25496 1 677 . 1 1 62 62 PRO HB3 H 1 1.445 0.002 . 2 . . . A 388 PRO HB3 . 25496 1 678 . 1 1 62 62 PRO HG2 H 1 1.972 0.006 . 2 . . . A 388 PRO HG2 . 25496 1 679 . 1 1 62 62 PRO HG3 H 1 1.826 0.005 . 2 . . . A 388 PRO HG3 . 25496 1 680 . 1 1 62 62 PRO HD2 H 1 3.790 0.003 . 2 . . . A 388 PRO HD2 . 25496 1 681 . 1 1 62 62 PRO HD3 H 1 3.468 0.003 . 2 . . . A 388 PRO HD3 . 25496 1 682 . 1 1 62 62 PRO C C 13 176.554 0.000 . 1 . . . A 388 PRO C . 25496 1 683 . 1 1 62 62 PRO CA C 13 63.055 0.000 . 1 . . . A 388 PRO CA . 25496 1 684 . 1 1 62 62 PRO CB C 13 32.368 0.000 . 1 . . . A 388 PRO CB . 25496 1 685 . 1 1 62 62 PRO CG C 13 27.804 0.000 . 1 . . . A 388 PRO CG . 25496 1 686 . 1 1 62 62 PRO CD C 13 50.447 0.000 . 1 . . . A 388 PRO CD . 25496 1 687 . 1 1 63 63 THR H H 1 8.449 0.004 . 1 . . . A 389 THR H . 25496 1 688 . 1 1 63 63 THR HA H 1 4.292 0.003 . 1 . . . A 389 THR HA . 25496 1 689 . 1 1 63 63 THR HB H 1 4.307 0.004 . 1 . . . A 389 THR HB . 25496 1 690 . 1 1 63 63 THR HG1 H 1 5.321 0.004 . 1 . . . A 389 THR HG1 . 25496 1 691 . 1 1 63 63 THR HG21 H 1 1.225 0.002 . 1 . . . A 389 THR HG21 . 25496 1 692 . 1 1 63 63 THR HG22 H 1 1.225 0.002 . 1 . . . A 389 THR HG22 . 25496 1 693 . 1 1 63 63 THR HG23 H 1 1.225 0.002 . 1 . . . A 389 THR HG23 . 25496 1 694 . 1 1 63 63 THR C C 13 177.599 0.000 . 1 . . . A 389 THR C . 25496 1 695 . 1 1 63 63 THR CA C 13 61.723 0.000 . 1 . . . A 389 THR CA . 25496 1 696 . 1 1 63 63 THR CB C 13 71.140 0.000 . 1 . . . A 389 THR CB . 25496 1 697 . 1 1 63 63 THR CG2 C 13 22.019 0.000 . 1 . . . A 389 THR CG2 . 25496 1 698 . 1 1 63 63 THR N N 15 108.985 0.002 . 1 . . . A 389 THR N . 25496 1 699 . 1 1 64 64 GLY H H 1 9.049 0.005 . 1 . . . A 390 GLY H . 25496 1 700 . 1 1 64 64 GLY HA2 H 1 4.253 0.006 . 2 . . . A 390 GLY HA2 . 25496 1 701 . 1 1 64 64 GLY HA3 H 1 3.799 0.006 . 2 . . . A 390 GLY HA3 . 25496 1 702 . 1 1 64 64 GLY C C 13 172.086 0.000 . 1 . . . A 390 GLY C . 25496 1 703 . 1 1 64 64 GLY CA C 13 46.834 0.000 . 1 . . . A 390 GLY CA . 25496 1 704 . 1 1 64 64 GLY N N 15 113.310 0.007 . 1 . . . A 390 GLY N . 25496 1 705 . 1 1 65 65 VAL H H 1 7.809 0.002 . 1 . . . A 391 VAL H . 25496 1 706 . 1 1 65 65 VAL HA H 1 5.171 0.004 . 1 . . . A 391 VAL HA . 25496 1 707 . 1 1 65 65 VAL HB H 1 1.854 0.006 . 1 . . . A 391 VAL HB . 25496 1 708 . 1 1 65 65 VAL HG11 H 1 0.967 0.007 . 2 . . . A 391 VAL HG11 . 25496 1 709 . 1 1 65 65 VAL HG12 H 1 0.967 0.007 . 2 . . . A 391 VAL HG12 . 25496 1 710 . 1 1 65 65 VAL HG13 H 1 0.967 0.007 . 2 . . . A 391 VAL HG13 . 25496 1 711 . 1 1 65 65 VAL HG21 H 1 0.429 0.001 . 2 . . . A 391 VAL HG21 . 25496 1 712 . 1 1 65 65 VAL HG22 H 1 0.429 0.001 . 2 . . . A 391 VAL HG22 . 25496 1 713 . 1 1 65 65 VAL HG23 H 1 0.429 0.001 . 2 . . . A 391 VAL HG23 . 25496 1 714 . 1 1 65 65 VAL C C 13 174.787 0.000 . 1 . . . A 391 VAL C . 25496 1 715 . 1 1 65 65 VAL CA C 13 60.070 0.000 . 1 . . . A 391 VAL CA . 25496 1 716 . 1 1 65 65 VAL CB C 13 34.197 0.000 . 1 . . . A 391 VAL CB . 25496 1 717 . 1 1 65 65 VAL CG1 C 13 21.588 0.000 . 2 . . . A 391 VAL CG1 . 25496 1 718 . 1 1 65 65 VAL CG2 C 13 21.798 0.000 . 2 . . . A 391 VAL CG2 . 25496 1 719 . 1 1 65 65 VAL N N 15 119.036 0.007 . 1 . . . A 391 VAL N . 25496 1 720 . 1 1 66 66 ALA H H 1 9.107 0.003 . 1 . . . A 392 ALA H . 25496 1 721 . 1 1 66 66 ALA HA H 1 5.112 0.004 . 1 . . . A 392 ALA HA . 25496 1 722 . 1 1 66 66 ALA HB1 H 1 0.997 0.003 . 1 . . . A 392 ALA HB1 . 25496 1 723 . 1 1 66 66 ALA HB2 H 1 0.997 0.003 . 1 . . . A 392 ALA HB2 . 25496 1 724 . 1 1 66 66 ALA HB3 H 1 0.997 0.003 . 1 . . . A 392 ALA HB3 . 25496 1 725 . 1 1 66 66 ALA C C 13 174.237 0.000 . 1 . . . A 392 ALA C . 25496 1 726 . 1 1 66 66 ALA CA C 13 49.720 0.000 . 1 . . . A 392 ALA CA . 25496 1 727 . 1 1 66 66 ALA CB C 13 25.613 0.000 . 1 . . . A 392 ALA CB . 25496 1 728 . 1 1 66 66 ALA N N 15 126.730 0.005 . 1 . . . A 392 ALA N . 25496 1 729 . 1 1 67 67 VAL H H 1 8.300 0.003 . 1 . . . A 393 VAL H . 25496 1 730 . 1 1 67 67 VAL HA H 1 4.950 0.005 . 1 . . . A 393 VAL HA . 25496 1 731 . 1 1 67 67 VAL HB H 1 1.764 0.004 . 1 . . . A 393 VAL HB . 25496 1 732 . 1 1 67 67 VAL HG11 H 1 0.865 0.004 . 2 . . . A 393 VAL HG11 . 25496 1 733 . 1 1 67 67 VAL HG12 H 1 0.865 0.004 . 2 . . . A 393 VAL HG12 . 25496 1 734 . 1 1 67 67 VAL HG13 H 1 0.865 0.004 . 2 . . . A 393 VAL HG13 . 25496 1 735 . 1 1 67 67 VAL HG21 H 1 0.771 0.003 . 2 . . . A 393 VAL HG21 . 25496 1 736 . 1 1 67 67 VAL HG22 H 1 0.771 0.003 . 2 . . . A 393 VAL HG22 . 25496 1 737 . 1 1 67 67 VAL HG23 H 1 0.771 0.003 . 2 . . . A 393 VAL HG23 . 25496 1 738 . 1 1 67 67 VAL C C 13 174.280 0.000 . 1 . . . A 393 VAL C . 25496 1 739 . 1 1 67 67 VAL CA C 13 60.457 0.000 . 1 . . . A 393 VAL CA . 25496 1 740 . 1 1 67 67 VAL CB C 13 34.420 0.000 . 1 . . . A 393 VAL CB . 25496 1 741 . 1 1 67 67 VAL CG1 C 13 21.490 0.000 . 2 . . . A 393 VAL CG1 . 25496 1 742 . 1 1 67 67 VAL CG2 C 13 21.825 0.000 . 2 . . . A 393 VAL CG2 . 25496 1 743 . 1 1 67 67 VAL N N 15 117.635 0.015 . 1 . . . A 393 VAL N . 25496 1 744 . 1 1 68 68 VAL H H 1 8.745 0.003 . 1 . . . A 394 VAL H . 25496 1 745 . 1 1 68 68 VAL HA H 1 4.213 0.003 . 1 . . . A 394 VAL HA . 25496 1 746 . 1 1 68 68 VAL HB H 1 1.284 0.004 . 1 . . . A 394 VAL HB . 25496 1 747 . 1 1 68 68 VAL HG11 H 1 0.000 0.003 . 2 . . . A 394 VAL HG11 . 25496 1 748 . 1 1 68 68 VAL HG12 H 1 0.000 0.003 . 2 . . . A 394 VAL HG12 . 25496 1 749 . 1 1 68 68 VAL HG13 H 1 0.000 0.003 . 2 . . . A 394 VAL HG13 . 25496 1 750 . 1 1 68 68 VAL HG21 H 1 -0.280 0.002 . 2 . . . A 394 VAL HG21 . 25496 1 751 . 1 1 68 68 VAL HG22 H 1 -0.280 0.002 . 2 . . . A 394 VAL HG22 . 25496 1 752 . 1 1 68 68 VAL HG23 H 1 -0.280 0.002 . 2 . . . A 394 VAL HG23 . 25496 1 753 . 1 1 68 68 VAL C C 13 172.839 0.000 . 1 . . . A 394 VAL C . 25496 1 754 . 1 1 68 68 VAL CA C 13 60.812 0.000 . 1 . . . A 394 VAL CA . 25496 1 755 . 1 1 68 68 VAL CB C 13 34.885 0.000 . 1 . . . A 394 VAL CB . 25496 1 756 . 1 1 68 68 VAL CG1 C 13 20.573 0.000 . 2 . . . A 394 VAL CG1 . 25496 1 757 . 1 1 68 68 VAL CG2 C 13 18.940 0.000 . 2 . . . A 394 VAL CG2 . 25496 1 758 . 1 1 68 68 VAL N N 15 126.499 0.016 . 1 . . . A 394 VAL N . 25496 1 759 . 1 1 69 69 GLU H H 1 8.859 0.003 . 1 . . . A 395 GLU H . 25496 1 760 . 1 1 69 69 GLU HA H 1 4.341 0.005 . 1 . . . A 395 GLU HA . 25496 1 761 . 1 1 69 69 GLU HB2 H 1 1.892 0.003 . 2 . . . A 395 GLU HB2 . 25496 1 762 . 1 1 69 69 GLU HB3 H 1 1.427 0.005 . 2 . . . A 395 GLU HB3 . 25496 1 763 . 1 1 69 69 GLU HG2 H 1 1.327 0.005 . 2 . . . A 395 GLU HG2 . 25496 1 764 . 1 1 69 69 GLU HG3 H 1 0.759 0.009 . 2 . . . A 395 GLU HG3 . 25496 1 765 . 1 1 69 69 GLU C C 13 175.731 0.000 . 1 . . . A 395 GLU C . 25496 1 766 . 1 1 69 69 GLU CA C 13 53.829 0.000 . 1 . . . A 395 GLU CA . 25496 1 767 . 1 1 69 69 GLU CB C 13 32.740 0.000 . 1 . . . A 395 GLU CB . 25496 1 768 . 1 1 69 69 GLU CG C 13 35.101 0.000 . 1 . . . A 395 GLU CG . 25496 1 769 . 1 1 69 69 GLU N N 15 127.182 0.001 . 1 . . . A 395 GLU N . 25496 1 770 . 1 1 70 70 TYR H H 1 8.447 0.006 . 1 . . . A 396 TYR H . 25496 1 771 . 1 1 70 70 TYR HA H 1 4.678 0.005 . 1 . . . A 396 TYR HA . 25496 1 772 . 1 1 70 70 TYR HB2 H 1 3.556 0.002 . 2 . . . A 396 TYR HB2 . 25496 1 773 . 1 1 70 70 TYR HB3 H 1 2.692 0.004 . 2 . . . A 396 TYR HB3 . 25496 1 774 . 1 1 70 70 TYR HD1 H 1 6.966 0.002 . 3 . . . A 396 TYR HD1 . 25496 1 775 . 1 1 70 70 TYR HD2 H 1 6.966 0.002 . 3 . . . A 396 TYR HD2 . 25496 1 776 . 1 1 70 70 TYR HE1 H 1 6.726 0.003 . 3 . . . A 396 TYR HE1 . 25496 1 777 . 1 1 70 70 TYR HE2 H 1 6.726 0.003 . 3 . . . A 396 TYR HE2 . 25496 1 778 . 1 1 70 70 TYR HH H 1 7.750 0.001 . 1 . . . A 396 TYR HH . 25496 1 779 . 1 1 70 70 TYR C C 13 175.308 0.000 . 1 . . . A 396 TYR C . 25496 1 780 . 1 1 70 70 TYR CA C 13 59.814 0.000 . 1 . . . A 396 TYR CA . 25496 1 781 . 1 1 70 70 TYR CB C 13 39.262 0.004 . 1 . . . A 396 TYR CB . 25496 1 782 . 1 1 70 70 TYR N N 15 128.326 0.006 . 1 . . . A 396 TYR N . 25496 1 783 . 1 1 71 71 GLU H H 1 7.903 0.004 . 1 . . . A 397 GLU H . 25496 1 784 . 1 1 71 71 GLU HA H 1 4.092 0.004 . 1 . . . A 397 GLU HA . 25496 1 785 . 1 1 71 71 GLU HB2 H 1 1.972 0.006 . 2 . . . A 397 GLU HB2 . 25496 1 786 . 1 1 71 71 GLU HG2 H 1 2.203 0.004 . 2 . . . A 397 GLU HG2 . 25496 1 787 . 1 1 71 71 GLU C C 13 175.741 0.000 . 1 . . . A 397 GLU C . 25496 1 788 . 1 1 71 71 GLU CA C 13 58.906 0.000 . 1 . . . A 397 GLU CA . 25496 1 789 . 1 1 71 71 GLU CB C 13 30.293 0.000 . 1 . . . A 397 GLU CB . 25496 1 790 . 1 1 71 71 GLU CG C 13 36.200 0.000 . 1 . . . A 397 GLU CG . 25496 1 791 . 1 1 71 71 GLU N N 15 120.666 0.008 . 1 . . . A 397 GLU N . 25496 1 792 . 1 1 72 72 ASN H H 1 9.397 0.007 . 1 . . . A 398 ASN H . 25496 1 793 . 1 1 72 72 ASN HA H 1 5.046 0.003 . 1 . . . A 398 ASN HA . 25496 1 794 . 1 1 72 72 ASN HB2 H 1 2.785 0.004 . 2 . . . A 398 ASN HB2 . 25496 1 795 . 1 1 72 72 ASN HB3 H 1 2.699 0.005 . 2 . . . A 398 ASN HB3 . 25496 1 796 . 1 1 72 72 ASN HD21 H 1 7.254 0.003 . 1 . . . A 398 ASN HD21 . 25496 1 797 . 1 1 72 72 ASN HD22 H 1 7.593 0.003 . 1 . . . A 398 ASN HD22 . 25496 1 798 . 1 1 72 72 ASN C C 13 175.515 0.000 . 1 . . . A 398 ASN C . 25496 1 799 . 1 1 72 72 ASN CA C 13 51.740 0.000 . 1 . . . A 398 ASN CA . 25496 1 800 . 1 1 72 72 ASN CB C 13 40.642 0.000 . 1 . . . A 398 ASN CB . 25496 1 801 . 1 1 72 72 ASN N N 15 115.019 0.006 . 1 . . . A 398 ASN N . 25496 1 802 . 1 1 72 72 ASN ND2 N 15 115.975 0.000 . 1 . . . A 398 ASN ND2 . 25496 1 803 . 1 1 73 73 LEU H H 1 8.654 0.004 . 1 . . . A 399 LEU H . 25496 1 804 . 1 1 73 73 LEU HA H 1 4.044 0.003 . 1 . . . A 399 LEU HA . 25496 1 805 . 1 1 73 73 LEU HB2 H 1 1.591 0.005 . 2 . . . A 399 LEU HB2 . 25496 1 806 . 1 1 73 73 LEU HG H 1 1.600 0.002 . 1 . . . A 399 LEU HG . 25496 1 807 . 1 1 73 73 LEU HD11 H 1 0.832 0.010 . 2 . . . A 399 LEU HD11 . 25496 1 808 . 1 1 73 73 LEU HD12 H 1 0.832 0.010 . 2 . . . A 399 LEU HD12 . 25496 1 809 . 1 1 73 73 LEU HD13 H 1 0.832 0.010 . 2 . . . A 399 LEU HD13 . 25496 1 810 . 1 1 73 73 LEU HD21 H 1 0.793 0.011 . 2 . . . A 399 LEU HD21 . 25496 1 811 . 1 1 73 73 LEU HD22 H 1 0.793 0.011 . 2 . . . A 399 LEU HD22 . 25496 1 812 . 1 1 73 73 LEU HD23 H 1 0.793 0.011 . 2 . . . A 399 LEU HD23 . 25496 1 813 . 1 1 73 73 LEU C C 13 177.676 0.000 . 1 . . . A 399 LEU C . 25496 1 814 . 1 1 73 73 LEU CA C 13 58.347 0.000 . 1 . . . A 399 LEU CA . 25496 1 815 . 1 1 73 73 LEU CB C 13 42.456 0.000 . 1 . . . A 399 LEU CB . 25496 1 816 . 1 1 73 73 LEU CG C 13 26.723 0.000 . 1 . . . A 399 LEU CG . 25496 1 817 . 1 1 73 73 LEU CD1 C 13 23.892 0.000 . 2 . . . A 399 LEU CD1 . 25496 1 818 . 1 1 73 73 LEU CD2 C 13 25.439 0.000 . 2 . . . A 399 LEU CD2 . 25496 1 819 . 1 1 73 73 LEU N N 15 128.010 0.006 . 1 . . . A 399 LEU N . 25496 1 820 . 1 1 74 74 VAL H H 1 7.925 0.004 . 1 . . . A 400 VAL H . 25496 1 821 . 1 1 74 74 VAL HA H 1 4.054 0.003 . 1 . . . A 400 VAL HA . 25496 1 822 . 1 1 74 74 VAL HB H 1 2.080 0.003 . 1 . . . A 400 VAL HB . 25496 1 823 . 1 1 74 74 VAL HG11 H 1 0.950 0.005 . 2 . . . A 400 VAL HG11 . 25496 1 824 . 1 1 74 74 VAL HG12 H 1 0.950 0.005 . 2 . . . A 400 VAL HG12 . 25496 1 825 . 1 1 74 74 VAL HG13 H 1 0.950 0.005 . 2 . . . A 400 VAL HG13 . 25496 1 826 . 1 1 74 74 VAL HG21 H 1 0.927 0.003 . 2 . . . A 400 VAL HG21 . 25496 1 827 . 1 1 74 74 VAL HG22 H 1 0.927 0.003 . 2 . . . A 400 VAL HG22 . 25496 1 828 . 1 1 74 74 VAL HG23 H 1 0.927 0.003 . 2 . . . A 400 VAL HG23 . 25496 1 829 . 1 1 74 74 VAL C C 13 177.821 0.000 . 1 . . . A 400 VAL C . 25496 1 830 . 1 1 74 74 VAL CA C 13 64.440 0.000 . 1 . . . A 400 VAL CA . 25496 1 831 . 1 1 74 74 VAL CB C 13 31.257 0.000 . 1 . . . A 400 VAL CB . 25496 1 832 . 1 1 74 74 VAL CG1 C 13 21.183 0.000 . 2 . . . A 400 VAL CG1 . 25496 1 833 . 1 1 74 74 VAL CG2 C 13 19.999 0.000 . 2 . . . A 400 VAL CG2 . 25496 1 834 . 1 1 74 74 VAL N N 15 110.788 0.013 . 1 . . . A 400 VAL N . 25496 1 835 . 1 1 75 75 ASP H H 1 7.163 0.003 . 1 . . . A 401 ASP H . 25496 1 836 . 1 1 75 75 ASP HA H 1 4.432 0.003 . 1 . . . A 401 ASP HA . 25496 1 837 . 1 1 75 75 ASP HB2 H 1 2.839 0.005 . 2 . . . A 401 ASP HB2 . 25496 1 838 . 1 1 75 75 ASP HB3 H 1 2.065 0.005 . 2 . . . A 401 ASP HB3 . 25496 1 839 . 1 1 75 75 ASP C C 13 176.801 0.000 . 1 . . . A 401 ASP C . 25496 1 840 . 1 1 75 75 ASP CA C 13 56.569 0.000 . 1 . . . A 401 ASP CA . 25496 1 841 . 1 1 75 75 ASP CB C 13 39.589 0.000 . 1 . . . A 401 ASP CB . 25496 1 842 . 1 1 75 75 ASP N N 15 122.075 0.006 . 1 . . . A 401 ASP N . 25496 1 843 . 1 1 76 76 ALA H H 1 7.040 0.003 . 1 . . . A 402 ALA H . 25496 1 844 . 1 1 76 76 ALA HA H 1 3.680 0.004 . 1 . . . A 402 ALA HA . 25496 1 845 . 1 1 76 76 ALA HB1 H 1 1.797 0.002 . 1 . . . A 402 ALA HB1 . 25496 1 846 . 1 1 76 76 ALA HB2 H 1 1.797 0.002 . 1 . . . A 402 ALA HB2 . 25496 1 847 . 1 1 76 76 ALA HB3 H 1 1.797 0.002 . 1 . . . A 402 ALA HB3 . 25496 1 848 . 1 1 76 76 ALA C C 13 179.290 0.000 . 1 . . . A 402 ALA C . 25496 1 849 . 1 1 76 76 ALA CA C 13 55.829 0.000 . 1 . . . A 402 ALA CA . 25496 1 850 . 1 1 76 76 ALA CB C 13 18.024 0.000 . 1 . . . A 402 ALA CB . 25496 1 851 . 1 1 76 76 ALA N N 15 123.673 0.000 . 1 . . . A 402 ALA N . 25496 1 852 . 1 1 77 77 ASP H H 1 8.143 0.002 . 1 . . . A 403 ASP H . 25496 1 853 . 1 1 77 77 ASP HA H 1 4.264 0.007 . 1 . . . A 403 ASP HA . 25496 1 854 . 1 1 77 77 ASP HB2 H 1 3.043 0.003 . 2 . . . A 403 ASP HB2 . 25496 1 855 . 1 1 77 77 ASP HB3 H 1 2.721 0.004 . 2 . . . A 403 ASP HB3 . 25496 1 856 . 1 1 77 77 ASP C C 13 179.556 0.000 . 1 . . . A 403 ASP C . 25496 1 857 . 1 1 77 77 ASP CA C 13 57.170 0.000 . 1 . . . A 403 ASP CA . 25496 1 858 . 1 1 77 77 ASP CB C 13 40.371 0.000 . 1 . . . A 403 ASP CB . 25496 1 859 . 1 1 77 77 ASP N N 15 115.375 0.000 . 1 . . . A 403 ASP N . 25496 1 860 . 1 1 78 78 PHE H H 1 7.969 0.006 . 1 . . . A 404 PHE H . 25496 1 861 . 1 1 78 78 PHE HA H 1 4.352 0.004 . 1 . . . A 404 PHE HA . 25496 1 862 . 1 1 78 78 PHE HB2 H 1 3.331 0.005 . 2 . . . A 404 PHE HB2 . 25496 1 863 . 1 1 78 78 PHE HB3 H 1 3.057 0.004 . 2 . . . A 404 PHE HB3 . 25496 1 864 . 1 1 78 78 PHE HD1 H 1 7.330 0.003 . 3 . . . A 404 PHE HD1 . 25496 1 865 . 1 1 78 78 PHE HD2 H 1 7.330 0.003 . 3 . . . A 404 PHE HD2 . 25496 1 866 . 1 1 78 78 PHE HE1 H 1 7.333 0.001 . 3 . . . A 404 PHE HE1 . 25496 1 867 . 1 1 78 78 PHE HE2 H 1 7.333 0.001 . 3 . . . A 404 PHE HE2 . 25496 1 868 . 1 1 78 78 PHE C C 13 176.521 0.000 . 1 . . . A 404 PHE C . 25496 1 869 . 1 1 78 78 PHE CA C 13 60.078 0.000 . 1 . . . A 404 PHE CA . 25496 1 870 . 1 1 78 78 PHE CB C 13 38.732 0.000 . 1 . . . A 404 PHE CB . 25496 1 871 . 1 1 78 78 PHE N N 15 120.618 0.000 . 1 . . . A 404 PHE N . 25496 1 872 . 1 1 79 79 CYS H H 1 8.469 0.004 . 1 . . . A 405 CYS H . 25496 1 873 . 1 1 79 79 CYS HA H 1 3.716 0.005 . 1 . . . A 405 CYS HA . 25496 1 874 . 1 1 79 79 CYS HB2 H 1 3.355 0.007 . 2 . . . A 405 CYS HB2 . 25496 1 875 . 1 1 79 79 CYS HB3 H 1 2.963 0.003 . 2 . . . A 405 CYS HB3 . 25496 1 876 . 1 1 79 79 CYS HG H 1 1.836 0.003 . 1 . . . A 405 CYS HG . 25496 1 877 . 1 1 79 79 CYS C C 13 176.162 0.000 . 1 . . . A 405 CYS C . 25496 1 878 . 1 1 79 79 CYS CA C 13 63.307 0.000 . 1 . . . A 405 CYS CA . 25496 1 879 . 1 1 79 79 CYS CB C 13 26.159 0.000 . 1 . . . A 405 CYS CB . 25496 1 880 . 1 1 79 79 CYS N N 15 120.485 0.015 . 1 . . . A 405 CYS N . 25496 1 881 . 1 1 80 80 ILE H H 1 7.326 0.003 . 1 . . . A 406 ILE H . 25496 1 882 . 1 1 80 80 ILE HA H 1 3.320 0.004 . 1 . . . A 406 ILE HA . 25496 1 883 . 1 1 80 80 ILE HB H 1 1.755 0.003 . 1 . . . A 406 ILE HB . 25496 1 884 . 1 1 80 80 ILE HG12 H 1 1.301 0.004 . 2 . . . A 406 ILE HG12 . 25496 1 885 . 1 1 80 80 ILE HG13 H 1 0.661 0.005 . 2 . . . A 406 ILE HG13 . 25496 1 886 . 1 1 80 80 ILE HG21 H 1 0.772 0.004 . 1 . . . A 406 ILE HG21 . 25496 1 887 . 1 1 80 80 ILE HG22 H 1 0.772 0.004 . 1 . . . A 406 ILE HG22 . 25496 1 888 . 1 1 80 80 ILE HG23 H 1 0.772 0.004 . 1 . . . A 406 ILE HG23 . 25496 1 889 . 1 1 80 80 ILE HD11 H 1 0.008 0.002 . 1 . . . A 406 ILE HD11 . 25496 1 890 . 1 1 80 80 ILE HD12 H 1 0.008 0.002 . 1 . . . A 406 ILE HD12 . 25496 1 891 . 1 1 80 80 ILE HD13 H 1 0.008 0.002 . 1 . . . A 406 ILE HD13 . 25496 1 892 . 1 1 80 80 ILE C C 13 178.177 0.000 . 1 . . . A 406 ILE C . 25496 1 893 . 1 1 80 80 ILE CA C 13 65.410 0.000 . 1 . . . A 406 ILE CA . 25496 1 894 . 1 1 80 80 ILE CB C 13 38.091 0.000 . 1 . . . A 406 ILE CB . 25496 1 895 . 1 1 80 80 ILE CG1 C 13 29.395 0.000 . 1 . . . A 406 ILE CG1 . 25496 1 896 . 1 1 80 80 ILE CG2 C 13 17.543 0.000 . 1 . . . A 406 ILE CG2 . 25496 1 897 . 1 1 80 80 ILE CD1 C 13 12.350 0.000 . 1 . . . A 406 ILE CD1 . 25496 1 898 . 1 1 80 80 ILE N N 15 116.809 0.006 . 1 . . . A 406 ILE N . 25496 1 899 . 1 1 81 81 GLN H H 1 7.372 0.004 . 1 . . . A 407 GLN H . 25496 1 900 . 1 1 81 81 GLN HA H 1 3.932 0.004 . 1 . . . A 407 GLN HA . 25496 1 901 . 1 1 81 81 GLN HB2 H 1 2.109 0.005 . 2 . . . A 407 GLN HB2 . 25496 1 902 . 1 1 81 81 GLN HG2 H 1 2.488 0.005 . 2 . . . A 407 GLN HG2 . 25496 1 903 . 1 1 81 81 GLN HG3 H 1 2.348 0.006 . 2 . . . A 407 GLN HG3 . 25496 1 904 . 1 1 81 81 GLN HE21 H 1 7.456 0.002 . 1 . . . A 407 GLN HE21 . 25496 1 905 . 1 1 81 81 GLN HE22 H 1 6.844 0.003 . 1 . . . A 407 GLN HE22 . 25496 1 906 . 1 1 81 81 GLN C C 13 178.126 0.000 . 1 . . . A 407 GLN C . 25496 1 907 . 1 1 81 81 GLN CA C 13 58.698 0.000 . 1 . . . A 407 GLN CA . 25496 1 908 . 1 1 81 81 GLN CB C 13 28.988 0.000 . 1 . . . A 407 GLN CB . 25496 1 909 . 1 1 81 81 GLN CG C 13 33.588 0.000 . 1 . . . A 407 GLN CG . 25496 1 910 . 1 1 81 81 GLN N N 15 116.691 0.007 . 1 . . . A 407 GLN N . 25496 1 911 . 1 1 81 81 GLN NE2 N 15 111.501 0.000 . 1 . . . A 407 GLN NE2 . 25496 1 912 . 1 1 82 82 LYS H H 1 8.554 0.002 . 1 . . . A 408 LYS H . 25496 1 913 . 1 1 82 82 LYS HA H 1 4.103 0.004 . 1 . . . A 408 LYS HA . 25496 1 914 . 1 1 82 82 LYS HB2 H 1 1.384 0.002 . 2 . . . A 408 LYS HB2 . 25496 1 915 . 1 1 82 82 LYS HB3 H 1 1.330 0.006 . 2 . . . A 408 LYS HB3 . 25496 1 916 . 1 1 82 82 LYS HG2 H 1 1.104 0.006 . 2 . . . A 408 LYS HG2 . 25496 1 917 . 1 1 82 82 LYS HG3 H 1 1.034 0.003 . 2 . . . A 408 LYS HG3 . 25496 1 918 . 1 1 82 82 LYS HD2 H 1 1.502 0.003 . 2 . . . A 408 LYS HD2 . 25496 1 919 . 1 1 82 82 LYS HD3 H 1 1.391 0.004 . 2 . . . A 408 LYS HD3 . 25496 1 920 . 1 1 82 82 LYS HE2 H 1 2.795 0.006 . 2 . . . A 408 LYS HE2 . 25496 1 921 . 1 1 82 82 LYS C C 13 178.435 0.000 . 1 . . . A 408 LYS C . 25496 1 922 . 1 1 82 82 LYS CA C 13 57.639 0.000 . 1 . . . A 408 LYS CA . 25496 1 923 . 1 1 82 82 LYS CB C 13 33.506 0.000 . 1 . . . A 408 LYS CB . 25496 1 924 . 1 1 82 82 LYS CG C 13 24.743 0.000 . 1 . . . A 408 LYS CG . 25496 1 925 . 1 1 82 82 LYS CD C 13 28.587 0.000 . 1 . . . A 408 LYS CD . 25496 1 926 . 1 1 82 82 LYS CE C 13 42.139 0.000 . 1 . . . A 408 LYS CE . 25496 1 927 . 1 1 82 82 LYS N N 15 116.463 0.008 . 1 . . . A 408 LYS N . 25496 1 928 . 1 1 83 83 LEU H H 1 8.490 0.003 . 1 . . . A 409 LEU H . 25496 1 929 . 1 1 83 83 LEU HA H 1 4.525 0.004 . 1 . . . A 409 LEU HA . 25496 1 930 . 1 1 83 83 LEU HB2 H 1 1.955 0.003 . 2 . . . A 409 LEU HB2 . 25496 1 931 . 1 1 83 83 LEU HB3 H 1 1.192 0.003 . 2 . . . A 409 LEU HB3 . 25496 1 932 . 1 1 83 83 LEU HG H 1 1.183 0.006 . 1 . . . A 409 LEU HG . 25496 1 933 . 1 1 83 83 LEU HD11 H 1 0.353 0.003 . 2 . . . A 409 LEU HD11 . 25496 1 934 . 1 1 83 83 LEU HD12 H 1 0.353 0.003 . 2 . . . A 409 LEU HD12 . 25496 1 935 . 1 1 83 83 LEU HD13 H 1 0.353 0.003 . 2 . . . A 409 LEU HD13 . 25496 1 936 . 1 1 83 83 LEU HD21 H 1 0.066 0.002 . 2 . . . A 409 LEU HD21 . 25496 1 937 . 1 1 83 83 LEU HD22 H 1 0.066 0.002 . 2 . . . A 409 LEU HD22 . 25496 1 938 . 1 1 83 83 LEU HD23 H 1 0.066 0.002 . 2 . . . A 409 LEU HD23 . 25496 1 939 . 1 1 83 83 LEU C C 13 177.486 0.000 . 1 . . . A 409 LEU C . 25496 1 940 . 1 1 83 83 LEU CA C 13 54.712 0.000 . 1 . . . A 409 LEU CA . 25496 1 941 . 1 1 83 83 LEU CB C 13 43.404 0.000 . 1 . . . A 409 LEU CB . 25496 1 942 . 1 1 83 83 LEU CG C 13 27.050 0.000 . 1 . . . A 409 LEU CG . 25496 1 943 . 1 1 83 83 LEU CD1 C 13 26.317 0.000 . 2 . . . A 409 LEU CD1 . 25496 1 944 . 1 1 83 83 LEU CD2 C 13 22.308 0.000 . 2 . . . A 409 LEU CD2 . 25496 1 945 . 1 1 83 83 LEU N N 15 114.998 0.004 . 1 . . . A 409 LEU N . 25496 1 946 . 1 1 84 84 ASN H H 1 7.682 0.004 . 1 . . . A 410 ASN H . 25496 1 947 . 1 1 84 84 ASN HA H 1 4.506 0.003 . 1 . . . A 410 ASN HA . 25496 1 948 . 1 1 84 84 ASN HB2 H 1 2.953 0.003 . 2 . . . A 410 ASN HB2 . 25496 1 949 . 1 1 84 84 ASN HD21 H 1 6.848 0.003 . 1 . . . A 410 ASN HD21 . 25496 1 950 . 1 1 84 84 ASN HD22 H 1 7.707 0.003 . 1 . . . A 410 ASN HD22 . 25496 1 951 . 1 1 84 84 ASN C C 13 177.314 0.000 . 1 . . . A 410 ASN C . 25496 1 952 . 1 1 84 84 ASN CA C 13 56.026 0.000 . 1 . . . A 410 ASN CA . 25496 1 953 . 1 1 84 84 ASN CB C 13 38.405 0.000 . 1 . . . A 410 ASN CB . 25496 1 954 . 1 1 84 84 ASN N N 15 118.029 0.009 . 1 . . . A 410 ASN N . 25496 1 955 . 1 1 84 84 ASN ND2 N 15 112.775 0.000 . 1 . . . A 410 ASN ND2 . 25496 1 956 . 1 1 85 85 ASN H H 1 9.100 0.003 . 1 . . . A 411 ASN H . 25496 1 957 . 1 1 85 85 ASN HA H 1 4.445 0.005 . 1 . . . A 411 ASN HA . 25496 1 958 . 1 1 85 85 ASN HB2 H 1 3.032 0.003 . 2 . . . A 411 ASN HB2 . 25496 1 959 . 1 1 85 85 ASN HD21 H 1 7.529 0.005 . 1 . . . A 411 ASN HD21 . 25496 1 960 . 1 1 85 85 ASN HD22 H 1 6.866 0.004 . 1 . . . A 411 ASN HD22 . 25496 1 961 . 1 1 85 85 ASN C C 13 175.464 0.000 . 1 . . . A 411 ASN C . 25496 1 962 . 1 1 85 85 ASN CA C 13 55.517 0.000 . 1 . . . A 411 ASN CA . 25496 1 963 . 1 1 85 85 ASN CB C 13 37.801 0.000 . 1 . . . A 411 ASN CB . 25496 1 964 . 1 1 85 85 ASN N N 15 122.018 0.004 . 1 . . . A 411 ASN N . 25496 1 965 . 1 1 85 85 ASN ND2 N 15 113.827 0.000 . 1 . . . A 411 ASN ND2 . 25496 1 966 . 1 1 86 86 TYR H H 1 8.023 0.004 . 1 . . . A 412 TYR H . 25496 1 967 . 1 1 86 86 TYR HA H 1 4.299 0.004 . 1 . . . A 412 TYR HA . 25496 1 968 . 1 1 86 86 TYR HB2 H 1 3.146 0.003 . 2 . . . A 412 TYR HB2 . 25496 1 969 . 1 1 86 86 TYR HB3 H 1 2.961 0.005 . 2 . . . A 412 TYR HB3 . 25496 1 970 . 1 1 86 86 TYR HD1 H 1 6.978 0.003 . 3 . . . A 412 TYR HD1 . 25496 1 971 . 1 1 86 86 TYR HD2 H 1 6.978 0.003 . 3 . . . A 412 TYR HD2 . 25496 1 972 . 1 1 86 86 TYR HE1 H 1 6.779 0.004 . 3 . . . A 412 TYR HE1 . 25496 1 973 . 1 1 86 86 TYR HE2 H 1 6.779 0.004 . 3 . . . A 412 TYR HE2 . 25496 1 974 . 1 1 86 86 TYR C C 13 174.194 0.000 . 1 . . . A 412 TYR C . 25496 1 975 . 1 1 86 86 TYR CA C 13 58.425 0.000 . 1 . . . A 412 TYR CA . 25496 1 976 . 1 1 86 86 TYR CB C 13 40.700 0.011 . 1 . . . A 412 TYR CB . 25496 1 977 . 1 1 86 86 TYR N N 15 122.658 0.006 . 1 . . . A 412 TYR N . 25496 1 978 . 1 1 87 87 ASN H H 1 7.752 0.003 . 1 . . . A 413 ASN H . 25496 1 979 . 1 1 87 87 ASN HA H 1 4.768 0.006 . 1 . . . A 413 ASN HA . 25496 1 980 . 1 1 87 87 ASN HB2 H 1 2.535 0.005 . 2 . . . A 413 ASN HB2 . 25496 1 981 . 1 1 87 87 ASN HB3 H 1 2.433 0.005 . 2 . . . A 413 ASN HB3 . 25496 1 982 . 1 1 87 87 ASN HD21 H 1 6.447 0.006 . 1 . . . A 413 ASN HD21 . 25496 1 983 . 1 1 87 87 ASN HD22 H 1 7.176 0.003 . 1 . . . A 413 ASN HD22 . 25496 1 984 . 1 1 87 87 ASN C C 13 172.571 0.000 . 1 . . . A 413 ASN C . 25496 1 985 . 1 1 87 87 ASN CB C 13 38.305 0.000 . 1 . . . A 413 ASN CB . 25496 1 986 . 1 1 87 87 ASN N N 15 125.649 0.006 . 1 . . . A 413 ASN N . 25496 1 987 . 1 1 87 87 ASN ND2 N 15 109.930 0.000 . 1 . . . A 413 ASN ND2 . 25496 1 988 . 1 1 88 88 TYR H H 1 8.886 0.002 . 1 . . . A 414 TYR H . 25496 1 989 . 1 1 88 88 TYR HA H 1 4.748 0.005 . 1 . . . A 414 TYR HA . 25496 1 990 . 1 1 88 88 TYR HB2 H 1 2.944 0.003 . 2 . . . A 414 TYR HB2 . 25496 1 991 . 1 1 88 88 TYR HB3 H 1 2.864 0.002 . 2 . . . A 414 TYR HB3 . 25496 1 992 . 1 1 88 88 TYR HD1 H 1 7.061 0.003 . 3 . . . A 414 TYR HD1 . 25496 1 993 . 1 1 88 88 TYR HD2 H 1 7.061 0.003 . 3 . . . A 414 TYR HD2 . 25496 1 994 . 1 1 88 88 TYR HE1 H 1 6.784 0.003 . 3 . . . A 414 TYR HE1 . 25496 1 995 . 1 1 88 88 TYR HE2 H 1 6.784 0.003 . 3 . . . A 414 TYR HE2 . 25496 1 996 . 1 1 88 88 TYR C C 13 175.108 0.000 . 1 . . . A 414 TYR C . 25496 1 997 . 1 1 88 88 TYR CB C 13 40.837 0.014 . 1 . . . A 414 TYR CB . 25496 1 998 . 1 1 88 88 TYR N N 15 129.272 0.001 . 1 . . . A 414 TYR N . 25496 1 999 . 1 1 89 89 GLY H H 1 8.537 0.005 . 1 . . . A 415 GLY H . 25496 1 1000 . 1 1 89 89 GLY HA2 H 1 3.544 0.005 . 2 . . . A 415 GLY HA2 . 25496 1 1001 . 1 1 89 89 GLY HA3 H 1 3.432 0.004 . 2 . . . A 415 GLY HA3 . 25496 1 1002 . 1 1 89 89 GLY C C 13 175.043 0.000 . 1 . . . A 415 GLY C . 25496 1 1003 . 1 1 89 89 GLY CA C 13 46.805 0.000 . 1 . . . A 415 GLY CA . 25496 1 1004 . 1 1 89 89 GLY N N 15 115.011 0.000 . 1 . . . A 415 GLY N . 25496 1 1005 . 1 1 90 90 GLY H H 1 7.790 0.004 . 1 . . . A 416 GLY H . 25496 1 1006 . 1 1 90 90 GLY HA2 H 1 4.217 0.004 . 2 . . . A 416 GLY HA2 . 25496 1 1007 . 1 1 90 90 GLY HA3 H 1 3.648 0.004 . 2 . . . A 416 GLY HA3 . 25496 1 1008 . 1 1 90 90 GLY C C 13 174.338 0.000 . 1 . . . A 416 GLY C . 25496 1 1009 . 1 1 90 90 GLY CA C 13 45.058 0.000 . 1 . . . A 416 GLY CA . 25496 1 1010 . 1 1 90 90 GLY N N 15 104.798 0.007 . 1 . . . A 416 GLY N . 25496 1 1011 . 1 1 91 91 CYS H H 1 7.554 0.003 . 1 . . . A 417 CYS H . 25496 1 1012 . 1 1 91 91 CYS HA H 1 4.484 0.005 . 1 . . . A 417 CYS HA . 25496 1 1013 . 1 1 91 91 CYS HB2 H 1 3.431 0.004 . 2 . . . A 417 CYS HB2 . 25496 1 1014 . 1 1 91 91 CYS HB3 H 1 3.035 0.003 . 2 . . . A 417 CYS HB3 . 25496 1 1015 . 1 1 91 91 CYS C C 13 173.147 0.000 . 1 . . . A 417 CYS C . 25496 1 1016 . 1 1 91 91 CYS CA C 13 58.131 0.000 . 1 . . . A 417 CYS CA . 25496 1 1017 . 1 1 91 91 CYS CB C 13 30.636 0.000 . 1 . . . A 417 CYS CB . 25496 1 1018 . 1 1 91 91 CYS N N 15 120.490 0.043 . 1 . . . A 417 CYS N . 25496 1 1019 . 1 1 92 92 SER H H 1 8.395 0.003 . 1 . . . A 418 SER H . 25496 1 1020 . 1 1 92 92 SER HA H 1 4.653 0.003 . 1 . . . A 418 SER HA . 25496 1 1021 . 1 1 92 92 SER HB2 H 1 3.773 0.003 . 2 . . . A 418 SER HB2 . 25496 1 1022 . 1 1 92 92 SER HB3 H 1 3.673 0.005 . 2 . . . A 418 SER HB3 . 25496 1 1023 . 1 1 92 92 SER C C 13 175.139 0.000 . 1 . . . A 418 SER C . 25496 1 1024 . 1 1 92 92 SER CA C 13 57.067 0.000 . 1 . . . A 418 SER CA . 25496 1 1025 . 1 1 92 92 SER CB C 13 62.571 0.000 . 1 . . . A 418 SER CB . 25496 1 1026 . 1 1 92 92 SER N N 15 117.407 0.026 . 1 . . . A 418 SER N . 25496 1 1027 . 1 1 93 93 LEU H H 1 9.033 0.002 . 1 . . . A 419 LEU H . 25496 1 1028 . 1 1 93 93 LEU HA H 1 4.341 0.003 . 1 . . . A 419 LEU HA . 25496 1 1029 . 1 1 93 93 LEU HB2 H 1 2.368 0.003 . 2 . . . A 419 LEU HB2 . 25496 1 1030 . 1 1 93 93 LEU HB3 H 1 1.430 0.003 . 2 . . . A 419 LEU HB3 . 25496 1 1031 . 1 1 93 93 LEU HG H 1 2.337 0.004 . 1 . . . A 419 LEU HG . 25496 1 1032 . 1 1 93 93 LEU HD11 H 1 0.907 0.002 . 2 . . . A 419 LEU HD11 . 25496 1 1033 . 1 1 93 93 LEU HD12 H 1 0.907 0.002 . 2 . . . A 419 LEU HD12 . 25496 1 1034 . 1 1 93 93 LEU HD13 H 1 0.907 0.002 . 2 . . . A 419 LEU HD13 . 25496 1 1035 . 1 1 93 93 LEU HD21 H 1 0.867 0.004 . 2 . . . A 419 LEU HD21 . 25496 1 1036 . 1 1 93 93 LEU HD22 H 1 0.867 0.004 . 2 . . . A 419 LEU HD22 . 25496 1 1037 . 1 1 93 93 LEU HD23 H 1 0.867 0.004 . 2 . . . A 419 LEU HD23 . 25496 1 1038 . 1 1 93 93 LEU C C 13 177.225 0.000 . 1 . . . A 419 LEU C . 25496 1 1039 . 1 1 93 93 LEU CA C 13 56.258 0.000 . 1 . . . A 419 LEU CA . 25496 1 1040 . 1 1 93 93 LEU CB C 13 42.033 0.000 . 1 . . . A 419 LEU CB . 25496 1 1041 . 1 1 93 93 LEU CG C 13 26.431 0.000 . 1 . . . A 419 LEU CG . 25496 1 1042 . 1 1 93 93 LEU CD1 C 13 26.350 0.000 . 2 . . . A 419 LEU CD1 . 25496 1 1043 . 1 1 93 93 LEU CD2 C 13 22.952 0.000 . 2 . . . A 419 LEU CD2 . 25496 1 1044 . 1 1 93 93 LEU N N 15 129.091 0.008 . 1 . . . A 419 LEU N . 25496 1 1045 . 1 1 94 94 GLN H H 1 8.241 0.003 . 1 . . . A 420 GLN H . 25496 1 1046 . 1 1 94 94 GLN HA H 1 5.014 0.003 . 1 . . . A 420 GLN HA . 25496 1 1047 . 1 1 94 94 GLN HB2 H 1 2.410 0.004 . 2 . . . A 420 GLN HB2 . 25496 1 1048 . 1 1 94 94 GLN HB3 H 1 2.058 0.002 . 2 . . . A 420 GLN HB3 . 25496 1 1049 . 1 1 94 94 GLN HG2 H 1 2.470 0.004 . 2 . . . A 420 GLN HG2 . 25496 1 1050 . 1 1 94 94 GLN HG3 H 1 2.406 0.002 . 2 . . . A 420 GLN HG3 . 25496 1 1051 . 1 1 94 94 GLN HE21 H 1 6.901 0.002 . 1 . . . A 420 GLN HE21 . 25496 1 1052 . 1 1 94 94 GLN HE22 H 1 7.285 0.005 . 1 . . . A 420 GLN HE22 . 25496 1 1053 . 1 1 94 94 GLN C C 13 175.116 0.000 . 1 . . . A 420 GLN C . 25496 1 1054 . 1 1 94 94 GLN CA C 13 54.237 0.000 . 1 . . . A 420 GLN CA . 25496 1 1055 . 1 1 94 94 GLN CB C 13 29.100 0.000 . 1 . . . A 420 GLN CB . 25496 1 1056 . 1 1 94 94 GLN CG C 13 33.432 0.000 . 1 . . . A 420 GLN CG . 25496 1 1057 . 1 1 94 94 GLN N N 15 120.940 0.004 . 1 . . . A 420 GLN N . 25496 1 1058 . 1 1 94 94 GLN NE2 N 15 113.772 0.000 . 1 . . . A 420 GLN NE2 . 25496 1 1059 . 1 1 95 95 ILE H H 1 8.741 0.002 . 1 . . . A 421 ILE H . 25496 1 1060 . 1 1 95 95 ILE HA H 1 5.344 0.003 . 1 . . . A 421 ILE HA . 25496 1 1061 . 1 1 95 95 ILE HB H 1 1.522 0.005 . 1 . . . A 421 ILE HB . 25496 1 1062 . 1 1 95 95 ILE HG12 H 1 1.580 0.003 . 2 . . . A 421 ILE HG12 . 25496 1 1063 . 1 1 95 95 ILE HG13 H 1 1.245 0.006 . 2 . . . A 421 ILE HG13 . 25496 1 1064 . 1 1 95 95 ILE HG21 H 1 0.926 0.005 . 1 . . . A 421 ILE HG21 . 25496 1 1065 . 1 1 95 95 ILE HG22 H 1 0.926 0.005 . 1 . . . A 421 ILE HG22 . 25496 1 1066 . 1 1 95 95 ILE HG23 H 1 0.926 0.005 . 1 . . . A 421 ILE HG23 . 25496 1 1067 . 1 1 95 95 ILE HD11 H 1 0.902 0.004 . 1 . . . A 421 ILE HD11 . 25496 1 1068 . 1 1 95 95 ILE HD12 H 1 0.902 0.004 . 1 . . . A 421 ILE HD12 . 25496 1 1069 . 1 1 95 95 ILE HD13 H 1 0.902 0.004 . 1 . . . A 421 ILE HD13 . 25496 1 1070 . 1 1 95 95 ILE C C 13 173.854 0.000 . 1 . . . A 421 ILE C . 25496 1 1071 . 1 1 95 95 ILE CA C 13 59.574 0.000 . 1 . . . A 421 ILE CA . 25496 1 1072 . 1 1 95 95 ILE CB C 13 40.541 0.000 . 1 . . . A 421 ILE CB . 25496 1 1073 . 1 1 95 95 ILE CG1 C 13 28.106 0.000 . 1 . . . A 421 ILE CG1 . 25496 1 1074 . 1 1 95 95 ILE CG2 C 13 19.738 0.000 . 1 . . . A 421 ILE CG2 . 25496 1 1075 . 1 1 95 95 ILE CD1 C 13 13.849 0.000 . 1 . . . A 421 ILE CD1 . 25496 1 1076 . 1 1 95 95 ILE N N 15 126.540 0.000 . 1 . . . A 421 ILE N . 25496 1 1077 . 1 1 96 96 SER H H 1 9.059 0.003 . 1 . . . A 422 SER H . 25496 1 1078 . 1 1 96 96 SER HA H 1 4.529 0.003 . 1 . . . A 422 SER HA . 25496 1 1079 . 1 1 96 96 SER HB2 H 1 4.308 0.005 . 2 . . . A 422 SER HB2 . 25496 1 1080 . 1 1 96 96 SER HB3 H 1 3.999 0.004 . 2 . . . A 422 SER HB3 . 25496 1 1081 . 1 1 96 96 SER HG H 1 5.465 0.002 . 1 . . . A 422 SER HG . 25496 1 1082 . 1 1 96 96 SER C C 13 173.629 0.000 . 1 . . . A 422 SER C . 25496 1 1083 . 1 1 96 96 SER CA C 13 56.844 0.000 . 1 . . . A 422 SER CA . 25496 1 1084 . 1 1 96 96 SER CB C 13 66.225 0.000 . 1 . . . A 422 SER CB . 25496 1 1085 . 1 1 96 96 SER N N 15 119.871 0.000 . 1 . . . A 422 SER N . 25496 1 1086 . 1 1 97 97 TYR H H 1 8.199 0.003 . 1 . . . A 423 TYR H . 25496 1 1087 . 1 1 97 97 TYR HA H 1 4.907 0.005 . 1 . . . A 423 TYR HA . 25496 1 1088 . 1 1 97 97 TYR HB2 H 1 3.008 0.005 . 2 . . . A 423 TYR HB2 . 25496 1 1089 . 1 1 97 97 TYR HB3 H 1 2.508 0.003 . 2 . . . A 423 TYR HB3 . 25496 1 1090 . 1 1 97 97 TYR HD1 H 1 7.669 0.004 . 3 . . . A 423 TYR HD1 . 25496 1 1091 . 1 1 97 97 TYR HD2 H 1 7.207 0.008 . 3 . . . A 423 TYR HD2 . 25496 1 1092 . 1 1 97 97 TYR HE1 H 1 6.886 0.008 . 3 . . . A 423 TYR HE1 . 25496 1 1093 . 1 1 97 97 TYR HE2 H 1 6.847 0.002 . 3 . . . A 423 TYR HE2 . 25496 1 1094 . 1 1 97 97 TYR C C 13 176.598 0.000 . 1 . . . A 423 TYR C . 25496 1 1095 . 1 1 97 97 TYR CA C 13 59.203 0.000 . 1 . . . A 423 TYR CA . 25496 1 1096 . 1 1 97 97 TYR CB C 13 38.303 0.000 . 1 . . . A 423 TYR CB . 25496 1 1097 . 1 1 97 97 TYR N N 15 118.624 0.009 . 1 . . . A 423 TYR N . 25496 1 1098 . 1 1 98 98 ALA H H 1 9.262 0.003 . 1 . . . A 424 ALA H . 25496 1 1099 . 1 1 98 98 ALA HA H 1 4.544 0.003 . 1 . . . A 424 ALA HA . 25496 1 1100 . 1 1 98 98 ALA HB1 H 1 1.249 0.004 . 1 . . . A 424 ALA HB1 . 25496 1 1101 . 1 1 98 98 ALA HB2 H 1 1.249 0.004 . 1 . . . A 424 ALA HB2 . 25496 1 1102 . 1 1 98 98 ALA HB3 H 1 1.249 0.004 . 1 . . . A 424 ALA HB3 . 25496 1 1103 . 1 1 98 98 ALA C C 13 177.120 0.000 . 1 . . . A 424 ALA C . 25496 1 1104 . 1 1 98 98 ALA CA C 13 51.836 0.000 . 1 . . . A 424 ALA CA . 25496 1 1105 . 1 1 98 98 ALA CB C 13 20.106 0.000 . 1 . . . A 424 ALA CB . 25496 1 1106 . 1 1 98 98 ALA N N 15 124.195 0.008 . 1 . . . A 424 ALA N . 25496 1 1107 . 1 1 99 99 ARG H H 1 9.267 0.003 . 1 . . . A 425 ARG H . 25496 1 1108 . 1 1 99 99 ARG HA H 1 4.502 0.004 . 1 . . . A 425 ARG HA . 25496 1 1109 . 1 1 99 99 ARG HB2 H 1 1.481 0.003 . 2 . . . A 425 ARG HB2 . 25496 1 1110 . 1 1 99 99 ARG HB3 H 1 1.265 0.003 . 2 . . . A 425 ARG HB3 . 25496 1 1111 . 1 1 99 99 ARG HG2 H 1 1.476 0.004 . 2 . . . A 425 ARG HG2 . 25496 1 1112 . 1 1 99 99 ARG HG3 H 1 1.372 0.004 . 2 . . . A 425 ARG HG3 . 25496 1 1113 . 1 1 99 99 ARG HD2 H 1 3.054 0.004 . 2 . . . A 425 ARG HD2 . 25496 1 1114 . 1 1 99 99 ARG HD3 H 1 3.010 0.002 . 2 . . . A 425 ARG HD3 . 25496 1 1115 . 1 1 99 99 ARG HE H 1 7.323 0.002 . 1 . . . A 425 ARG HE . 25496 1 1116 . 1 1 99 99 ARG C C 13 174.676 0.000 . 1 . . . A 425 ARG C . 25496 1 1117 . 1 1 99 99 ARG CA C 13 54.885 0.000 . 1 . . . A 425 ARG CA . 25496 1 1118 . 1 1 99 99 ARG CB C 13 32.669 0.000 . 1 . . . A 425 ARG CB . 25496 1 1119 . 1 1 99 99 ARG CG C 13 26.804 0.000 . 1 . . . A 425 ARG CG . 25496 1 1120 . 1 1 99 99 ARG CD C 13 43.612 0.000 . 1 . . . A 425 ARG CD . 25496 1 1121 . 1 1 99 99 ARG N N 15 122.152 0.006 . 1 . . . A 425 ARG N . 25496 1 1122 . 1 1 99 99 ARG NE N 15 84.362 0.000 . 1 . . . A 425 ARG NE . 25496 1 1123 . 1 1 100 100 ARG H H 1 8.598 0.004 . 1 . . . A 426 ARG H . 25496 1 1124 . 1 1 100 100 ARG HA H 1 4.658 0.003 . 1 . . . A 426 ARG HA . 25496 1 1125 . 1 1 100 100 ARG HB2 H 1 1.695 0.006 . 2 . . . A 426 ARG HB2 . 25496 1 1126 . 1 1 100 100 ARG HB3 H 1 1.425 0.004 . 2 . . . A 426 ARG HB3 . 25496 1 1127 . 1 1 100 100 ARG HG2 H 1 1.295 0.003 . 2 . . . A 426 ARG HG2 . 25496 1 1128 . 1 1 100 100 ARG HD2 H 1 2.721 0.004 . 2 . . . A 426 ARG HD2 . 25496 1 1129 . 1 1 100 100 ARG HD3 H 1 2.620 0.004 . 2 . . . A 426 ARG HD3 . 25496 1 1130 . 1 1 100 100 ARG HE H 1 6.728 0.004 . 1 . . . A 426 ARG HE . 25496 1 1131 . 1 1 100 100 ARG C C 13 174.748 0.000 . 1 . . . A 426 ARG C . 25496 1 1132 . 1 1 100 100 ARG CA C 13 55.370 0.000 . 1 . . . A 426 ARG CA . 25496 1 1133 . 1 1 100 100 ARG CB C 13 31.433 0.000 . 1 . . . A 426 ARG CB . 25496 1 1134 . 1 1 100 100 ARG CG C 13 27.726 0.000 . 1 . . . A 426 ARG CG . 25496 1 1135 . 1 1 100 100 ARG CD C 13 42.974 0.000 . 1 . . . A 426 ARG CD . 25496 1 1136 . 1 1 100 100 ARG N N 15 126.084 0.000 . 1 . . . A 426 ARG N . 25496 1 1137 . 1 1 100 100 ARG NE N 15 84.195 0.000 . 1 . . . A 426 ARG NE . 25496 1 1138 . 1 1 101 101 ASP H H 1 8.234 0.004 . 1 . . . A 427 ASP H . 25496 1 1139 . 1 1 101 101 ASP HA H 1 4.335 0.005 . 1 . . . A 427 ASP HA . 25496 1 1140 . 1 1 101 101 ASP HB2 H 1 2.637 0.003 . 2 . . . A 427 ASP HB2 . 25496 1 1141 . 1 1 101 101 ASP HB3 H 1 2.520 0.005 . 2 . . . A 427 ASP HB3 . 25496 1 1142 . 1 1 101 101 ASP CA C 13 55.979 0.000 . 1 . . . A 427 ASP CA . 25496 1 1143 . 1 1 101 101 ASP CB C 13 42.152 0.000 . 1 . . . A 427 ASP CB . 25496 1 1144 . 1 1 101 101 ASP N N 15 129.119 0.025 . 1 . . . A 427 ASP N . 25496 1 stop_ save_