data_34442 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34442 _Entry.Title ; Solution structure of the HRP2 IBD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-10-11 _Entry.Accession_date 2019-10-11 _Entry.Last_release_date 2020-07-14 _Entry.Original_release_date 2020-07-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 V. Veverka V. . . . 34442 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CELL CYCLE' . 34442 'epigenetic reader' . 34442 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34442 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 384 34442 '15N chemical shifts' 85 34442 '1H chemical shifts' 629 34442 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 . . 2023-02-17 2019-10-11 update BMRB 'update entry citation' 34442 1 . . 2020-11-12 2019-10-11 original author 'original release' 34442 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6T3I 'BMRB Entry Tracking System' 34442 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34442 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33477970 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Unlike Its Paralog LEDGF/p75, HRP-2 Is Dispensable for MLL-R Leukemogenesis but Important for Leukemic Cell Survival ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cells _Citation.Journal_name_full Cells _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2073-4409 _Citation.Journal_CSD 0353 _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 192 _Citation.Page_last 192 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Siska 'Van Belle' S. . . . 34442 1 2 Sara 'El Ashkar' S. . . . 34442 1 3 Katerina Cermakova K. . . . 34442 1 4 Filip Matthijssens F. . . . 34442 1 5 Steven Goossens S. . . . 34442 1 6 Alessandro Canella A. . . . 34442 1 7 Courtney Hodges C. H. . . 34442 1 8 Frauke Christ F. . . . 34442 1 9 Jan 'De Rijck' J. . . . 34442 1 10 Pieter 'Van Vlierberghe' P. . . . 34442 1 11 Vaclav Veverka V. . . . 34442 1 12 Zeger Debyser Z. . . . 34442 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34442 _Assembly.ID 1 _Assembly.Name 'Hepatoma-derived growth factor-related protein 2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 unit_1 1 $entity_1 A A yes . . . . . . 34442 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34442 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; AASPSVEEKLQKLHSEIKFA LKVDSPDVKRCLNALEELGT LQVTSQILQKNTDVVATLKK IRRYKANKDVMEKAAEVYTR LKSRGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9675.237 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID HDGF-2 common 34442 1 HRP-2 common 34442 1 'Hepatoma-derived growth factor 2' common 34442 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 466 ALA . 34442 1 2 467 ALA . 34442 1 3 468 SER . 34442 1 4 469 PRO . 34442 1 5 470 SER . 34442 1 6 471 VAL . 34442 1 7 472 GLU . 34442 1 8 473 GLU . 34442 1 9 474 LYS . 34442 1 10 475 LEU . 34442 1 11 476 GLN . 34442 1 12 477 LYS . 34442 1 13 478 LEU . 34442 1 14 479 HIS . 34442 1 15 480 SER . 34442 1 16 481 GLU . 34442 1 17 482 ILE . 34442 1 18 483 LYS . 34442 1 19 484 PHE . 34442 1 20 485 ALA . 34442 1 21 486 LEU . 34442 1 22 487 LYS . 34442 1 23 488 VAL . 34442 1 24 489 ASP . 34442 1 25 490 SER . 34442 1 26 491 PRO . 34442 1 27 492 ASP . 34442 1 28 493 VAL . 34442 1 29 494 LYS . 34442 1 30 495 ARG . 34442 1 31 496 CYS . 34442 1 32 497 LEU . 34442 1 33 498 ASN . 34442 1 34 499 ALA . 34442 1 35 500 LEU . 34442 1 36 501 GLU . 34442 1 37 502 GLU . 34442 1 38 503 LEU . 34442 1 39 504 GLY . 34442 1 40 505 THR . 34442 1 41 506 LEU . 34442 1 42 507 GLN . 34442 1 43 508 VAL . 34442 1 44 509 THR . 34442 1 45 510 SER . 34442 1 46 511 GLN . 34442 1 47 512 ILE . 34442 1 48 513 LEU . 34442 1 49 514 GLN . 34442 1 50 515 LYS . 34442 1 51 516 ASN . 34442 1 52 517 THR . 34442 1 53 518 ASP . 34442 1 54 519 VAL . 34442 1 55 520 VAL . 34442 1 56 521 ALA . 34442 1 57 522 THR . 34442 1 58 523 LEU . 34442 1 59 524 LYS . 34442 1 60 525 LYS . 34442 1 61 526 ILE . 34442 1 62 527 ARG . 34442 1 63 528 ARG . 34442 1 64 529 TYR . 34442 1 65 530 LYS . 34442 1 66 531 ALA . 34442 1 67 532 ASN . 34442 1 68 533 LYS . 34442 1 69 534 ASP . 34442 1 70 535 VAL . 34442 1 71 536 MET . 34442 1 72 537 GLU . 34442 1 73 538 LYS . 34442 1 74 539 ALA . 34442 1 75 540 ALA . 34442 1 76 541 GLU . 34442 1 77 542 VAL . 34442 1 78 543 TYR . 34442 1 79 544 THR . 34442 1 80 545 ARG . 34442 1 81 546 LEU . 34442 1 82 547 LYS . 34442 1 83 548 SER . 34442 1 84 549 ARG . 34442 1 85 550 GLY . 34442 1 86 551 SER . 34442 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 . ALA 1 1 34442 1 . ALA 2 2 34442 1 . SER 3 3 34442 1 . PRO 4 4 34442 1 . SER 5 5 34442 1 . VAL 6 6 34442 1 . GLU 7 7 34442 1 . GLU 8 8 34442 1 . LYS 9 9 34442 1 . LEU 10 10 34442 1 . GLN 11 11 34442 1 . LYS 12 12 34442 1 . LEU 13 13 34442 1 . HIS 14 14 34442 1 . SER 15 15 34442 1 . GLU 16 16 34442 1 . ILE 17 17 34442 1 . LYS 18 18 34442 1 . PHE 19 19 34442 1 . ALA 20 20 34442 1 . LEU 21 21 34442 1 . LYS 22 22 34442 1 . VAL 23 23 34442 1 . ASP 24 24 34442 1 . SER 25 25 34442 1 . PRO 26 26 34442 1 . ASP 27 27 34442 1 . VAL 28 28 34442 1 . LYS 29 29 34442 1 . ARG 30 30 34442 1 . CYS 31 31 34442 1 . LEU 32 32 34442 1 . ASN 33 33 34442 1 . ALA 34 34 34442 1 . LEU 35 35 34442 1 . GLU 36 36 34442 1 . GLU 37 37 34442 1 . LEU 38 38 34442 1 . GLY 39 39 34442 1 . THR 40 40 34442 1 . LEU 41 41 34442 1 . GLN 42 42 34442 1 . VAL 43 43 34442 1 . THR 44 44 34442 1 . SER 45 45 34442 1 . GLN 46 46 34442 1 . ILE 47 47 34442 1 . LEU 48 48 34442 1 . GLN 49 49 34442 1 . LYS 50 50 34442 1 . ASN 51 51 34442 1 . THR 52 52 34442 1 . ASP 53 53 34442 1 . VAL 54 54 34442 1 . VAL 55 55 34442 1 . ALA 56 56 34442 1 . THR 57 57 34442 1 . LEU 58 58 34442 1 . LYS 59 59 34442 1 . LYS 60 60 34442 1 . ILE 61 61 34442 1 . ARG 62 62 34442 1 . ARG 63 63 34442 1 . TYR 64 64 34442 1 . LYS 65 65 34442 1 . ALA 66 66 34442 1 . ASN 67 67 34442 1 . LYS 68 68 34442 1 . ASP 69 69 34442 1 . VAL 70 70 34442 1 . MET 71 71 34442 1 . GLU 72 72 34442 1 . LYS 73 73 34442 1 . ALA 74 74 34442 1 . ALA 75 75 34442 1 . GLU 76 76 34442 1 . VAL 77 77 34442 1 . TYR 78 78 34442 1 . THR 79 79 34442 1 . ARG 80 80 34442 1 . LEU 81 81 34442 1 . LYS 82 82 34442 1 . SER 83 83 34442 1 . ARG 84 84 34442 1 . GLY 85 85 34442 1 . SER 86 86 34442 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 34442 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'HDGFL2, HDGF2, HDGFRP2, HRP2, UNQ785/PRO1604' . 34442 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 34442 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34442 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34442 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] HRP2, 25 mM TRIS, 150 mM NaCl, 1 mM TCEP, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HRP2 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34442 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 34442 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 34442 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 34442 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34442 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 175 . mM 34442 1 pH 7.0 . pH 34442 1 pressure 1 . atm 34442 1 temperature 298 . K 34442 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34442 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34442 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34442 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34442 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34442 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34442 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34442 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34442 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34442 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34442 _Software.ID 4 _Software.Type . _Software.Name YASARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Yasara . . 34442 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34442 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34442 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 34442 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 850 . . . 34442 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 34442 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34442 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34442 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34442 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34442 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34442 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34442 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34442 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34442 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34442 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34442 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34442 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34442 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 '3D HNCACB' . . . 34442 1 2 '3D CBCA(CO)NH' . . . 34442 1 3 '3D HNCO' . . . 34442 1 4 '3D HN(CO)CA' . . . 34442 1 5 '3D HCCH-TOCSY' . . . 34442 1 6 '3D 1H-13C NOESY' . . . 34442 1 7 '3D 1H-15N NOESY' . . . 34442 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA H H 1 8.364 0.002 . . . . . . A 466 ALA H1 . 34442 1 2 . 1 . 1 1 1 ALA HA H 1 4.305 0.000 . . . . . . A 466 ALA HA . 34442 1 3 . 1 . 1 1 1 ALA HB1 H 1 1.370 0.001 . . . . . . A 466 ALA HB1 . 34442 1 4 . 1 . 1 1 1 ALA HB2 H 1 1.370 0.001 . . . . . . A 466 ALA HB2 . 34442 1 5 . 1 . 1 1 1 ALA HB3 H 1 1.370 0.001 . . . . . . A 466 ALA HB3 . 34442 1 6 . 1 . 1 1 1 ALA C C 13 177.291 0.006 . . . . . . A 466 ALA C . 34442 1 7 . 1 . 1 1 1 ALA CA C 13 52.461 0.116 . . . . . . A 466 ALA CA . 34442 1 8 . 1 . 1 1 1 ALA CB C 13 19.298 0.040 . . . . . . A 466 ALA CB . 34442 1 9 . 1 . 1 1 1 ALA N N 15 124.758 0.005 . . . . . . A 466 ALA N . 34442 1 10 . 1 . 1 2 2 ALA H H 1 8.250 0.005 . . . . . . A 467 ALA H . 34442 1 11 . 1 . 1 2 2 ALA HA H 1 4.331 0.000 . . . . . . A 467 ALA HA . 34442 1 12 . 1 . 1 2 2 ALA HB1 H 1 1.383 0.000 . . . . . . A 467 ALA HB1 . 34442 1 13 . 1 . 1 2 2 ALA HB2 H 1 1.383 0.000 . . . . . . A 467 ALA HB2 . 34442 1 14 . 1 . 1 2 2 ALA HB3 H 1 1.383 0.000 . . . . . . A 467 ALA HB3 . 34442 1 15 . 1 . 1 2 2 ALA C C 13 177.600 0.003 . . . . . . A 467 ALA C . 34442 1 16 . 1 . 1 2 2 ALA CA C 13 52.303 0.003 . . . . . . A 467 ALA CA . 34442 1 17 . 1 . 1 2 2 ALA CB C 13 19.371 0.010 . . . . . . A 467 ALA CB . 34442 1 18 . 1 . 1 2 2 ALA N N 15 123.130 0.129 . . . . . . A 467 ALA N . 34442 1 19 . 1 . 1 3 3 SER H H 1 8.229 0.081 . . . . . . A 468 SER H . 34442 1 20 . 1 . 1 3 3 SER C C 13 172.558 0.000 . . . . . . A 468 SER C . 34442 1 21 . 1 . 1 3 3 SER CA C 13 56.499 0.000 . . . . . . A 468 SER CA . 34442 1 22 . 1 . 1 3 3 SER CB C 13 63.356 0.000 . . . . . . A 468 SER CB . 34442 1 23 . 1 . 1 3 3 SER N N 15 116.330 0.382 . . . . . . A 468 SER N . 34442 1 24 . 1 . 1 4 4 PRO HA H 1 4.526 0.006 . . . . . . A 469 PRO HA . 34442 1 25 . 1 . 1 4 4 PRO HB2 H 1 2.290 0.007 . . . . . . A 469 PRO HB2 . 34442 1 26 . 1 . 1 4 4 PRO HB3 H 1 1.893 0.009 . . . . . . A 469 PRO HB3 . 34442 1 27 . 1 . 1 4 4 PRO HG2 H 1 1.988 0.000 . . . . . . A 469 PRO HG2 . 34442 1 28 . 1 . 1 4 4 PRO HG3 H 1 1.988 0.000 . . . . . . A 469 PRO HG3 . 34442 1 29 . 1 . 1 4 4 PRO HD2 H 1 3.772 0.001 . . . . . . A 469 PRO HD2 . 34442 1 30 . 1 . 1 4 4 PRO HD3 H 1 3.685 0.000 . . . . . . A 469 PRO HD3 . 34442 1 31 . 1 . 1 4 4 PRO C C 13 177.116 0.001 . . . . . . A 469 PRO C . 34442 1 32 . 1 . 1 4 4 PRO CA C 13 63.276 0.007 . . . . . . A 469 PRO CA . 34442 1 33 . 1 . 1 4 4 PRO CB C 13 32.127 0.023 . . . . . . A 469 PRO CB . 34442 1 34 . 1 . 1 4 4 PRO CG C 13 27.431 0.008 . . . . . . A 469 PRO CG . 34442 1 35 . 1 . 1 4 4 PRO CD C 13 50.775 0.006 . . . . . . A 469 PRO CD . 34442 1 36 . 1 . 1 5 5 SER H H 1 8.625 0.001 . . . . . . A 470 SER H . 34442 1 37 . 1 . 1 5 5 SER HA H 1 4.511 0.000 . . . . . . A 470 SER HA . 34442 1 38 . 1 . 1 5 5 SER HB2 H 1 4.020 0.000 . . . . . . A 470 SER HB2 . 34442 1 39 . 1 . 1 5 5 SER HB3 H 1 4.319 0.000 . . . . . . A 470 SER HB3 . 34442 1 40 . 1 . 1 5 5 SER C C 13 175.450 0.003 . . . . . . A 470 SER C . 34442 1 41 . 1 . 1 5 5 SER CA C 13 57.869 0.018 . . . . . . A 470 SER CA . 34442 1 42 . 1 . 1 5 5 SER CB C 13 64.559 0.011 . . . . . . A 470 SER CB . 34442 1 43 . 1 . 1 5 5 SER N N 15 117.674 0.005 . . . . . . A 470 SER N . 34442 1 44 . 1 . 1 6 6 VAL H H 1 8.591 0.001 . . . . . . A 471 VAL H . 34442 1 45 . 1 . 1 6 6 VAL HA H 1 3.689 0.009 . . . . . . A 471 VAL HA . 34442 1 46 . 1 . 1 6 6 VAL HB H 1 2.085 0.000 . . . . . . A 471 VAL HB . 34442 1 47 . 1 . 1 6 6 VAL HG11 H 1 1.099 0.000 . . . . . . A 471 VAL HG11 . 34442 1 48 . 1 . 1 6 6 VAL HG12 H 1 1.099 0.000 . . . . . . A 471 VAL HG12 . 34442 1 49 . 1 . 1 6 6 VAL HG13 H 1 1.099 0.000 . . . . . . A 471 VAL HG13 . 34442 1 50 . 1 . 1 6 6 VAL HG21 H 1 0.919 0.000 . . . . . . A 471 VAL HG21 . 34442 1 51 . 1 . 1 6 6 VAL HG22 H 1 0.919 0.000 . . . . . . A 471 VAL HG22 . 34442 1 52 . 1 . 1 6 6 VAL HG23 H 1 0.919 0.000 . . . . . . A 471 VAL HG23 . 34442 1 53 . 1 . 1 6 6 VAL C C 13 177.366 0.002 . . . . . . A 471 VAL C . 34442 1 54 . 1 . 1 6 6 VAL CA C 13 66.767 0.004 . . . . . . A 471 VAL CA . 34442 1 55 . 1 . 1 6 6 VAL CB C 13 31.539 0.018 . . . . . . A 471 VAL CB . 34442 1 56 . 1 . 1 6 6 VAL CG1 C 13 22.878 0.007 . . . . . . A 471 VAL CG1 . 34442 1 57 . 1 . 1 6 6 VAL CG2 C 13 21.720 0.013 . . . . . . A 471 VAL CG2 . 34442 1 58 . 1 . 1 6 6 VAL N N 15 122.790 0.005 . . . . . . A 471 VAL N . 34442 1 59 . 1 . 1 7 7 GLU H H 1 8.674 0.002 . . . . . . A 472 GLU H . 34442 1 60 . 1 . 1 7 7 GLU HA H 1 3.751 0.008 . . . . . . A 472 GLU HA . 34442 1 61 . 1 . 1 7 7 GLU HB2 H 1 2.066 0.000 . . . . . . A 472 GLU HB2 . 34442 1 62 . 1 . 1 7 7 GLU HB3 H 1 1.988 0.000 . . . . . . A 472 GLU HB3 . 34442 1 63 . 1 . 1 7 7 GLU HG2 H 1 2.176 0.010 . . . . . . A 472 GLU HG2 . 34442 1 64 . 1 . 1 7 7 GLU HG3 H 1 2.277 0.000 . . . . . . A 472 GLU HG3 . 34442 1 65 . 1 . 1 7 7 GLU C C 13 177.947 0.004 . . . . . . A 472 GLU C . 34442 1 66 . 1 . 1 7 7 GLU CA C 13 60.783 0.009 . . . . . . A 472 GLU CA . 34442 1 67 . 1 . 1 7 7 GLU CB C 13 29.765 0.046 . . . . . . A 472 GLU CB . 34442 1 68 . 1 . 1 7 7 GLU CG C 13 37.807 0.013 . . . . . . A 472 GLU CG . 34442 1 69 . 1 . 1 7 7 GLU N N 15 119.657 0.007 . . . . . . A 472 GLU N . 34442 1 70 . 1 . 1 8 8 GLU H H 1 7.870 0.001 . . . . . . A 473 GLU H . 34442 1 71 . 1 . 1 8 8 GLU HA H 1 4.005 0.000 . . . . . . A 473 GLU HA . 34442 1 72 . 1 . 1 8 8 GLU HB2 H 1 2.208 0.000 . . . . . . A 473 GLU HB2 . 34442 1 73 . 1 . 1 8 8 GLU HB3 H 1 2.034 0.000 . . . . . . A 473 GLU HB3 . 34442 1 74 . 1 . 1 8 8 GLU HG2 H 1 2.370 0.000 . . . . . . A 473 GLU HG2 . 34442 1 75 . 1 . 1 8 8 GLU HG3 H 1 2.223 0.000 . . . . . . A 473 GLU HG3 . 34442 1 76 . 1 . 1 8 8 GLU C C 13 179.835 0.003 . . . . . . A 473 GLU C . 34442 1 77 . 1 . 1 8 8 GLU CA C 13 59.520 0.036 . . . . . . A 473 GLU CA . 34442 1 78 . 1 . 1 8 8 GLU CB C 13 29.639 0.007 . . . . . . A 473 GLU CB . 34442 1 79 . 1 . 1 8 8 GLU CG C 13 37.065 0.014 . . . . . . A 473 GLU CG . 34442 1 80 . 1 . 1 8 8 GLU N N 15 119.323 0.004 . . . . . . A 473 GLU N . 34442 1 81 . 1 . 1 9 9 LYS H H 1 8.233 0.003 . . . . . . A 474 LYS H . 34442 1 82 . 1 . 1 9 9 LYS HA H 1 4.003 0.000 . . . . . . A 474 LYS HA . 34442 1 83 . 1 . 1 9 9 LYS HB2 H 1 1.941 0.000 . . . . . . A 474 LYS HB2 . 34442 1 84 . 1 . 1 9 9 LYS HB3 H 1 1.856 0.000 . . . . . . A 474 LYS HB3 . 34442 1 85 . 1 . 1 9 9 LYS HG2 H 1 1.560 0.000 . . . . . . A 474 LYS HG2 . 34442 1 86 . 1 . 1 9 9 LYS HG3 H 1 1.444 0.001 . . . . . . A 474 LYS HG3 . 34442 1 87 . 1 . 1 9 9 LYS HD2 H 1 1.667 0.000 . . . . . . A 474 LYS HD2 . 34442 1 88 . 1 . 1 9 9 LYS HD3 H 1 1.667 0.000 . . . . . . A 474 LYS HD3 . 34442 1 89 . 1 . 1 9 9 LYS HE2 H 1 2.883 0.000 . . . . . . A 474 LYS HE2 . 34442 1 90 . 1 . 1 9 9 LYS HE3 H 1 2.883 0.000 . . . . . . A 474 LYS HE3 . 34442 1 91 . 1 . 1 9 9 LYS C C 13 178.105 0.008 . . . . . . A 474 LYS C . 34442 1 92 . 1 . 1 9 9 LYS CA C 13 59.565 0.000 . . . . . . A 474 LYS CA . 34442 1 93 . 1 . 1 9 9 LYS CB C 13 32.187 0.030 . . . . . . A 474 LYS CB . 34442 1 94 . 1 . 1 9 9 LYS CG C 13 25.461 0.025 . . . . . . A 474 LYS CG . 34442 1 95 . 1 . 1 9 9 LYS CD C 13 29.217 0.003 . . . . . . A 474 LYS CD . 34442 1 96 . 1 . 1 9 9 LYS N N 15 120.996 0.003 . . . . . . A 474 LYS N . 34442 1 97 . 1 . 1 10 10 LEU H H 1 8.652 0.001 . . . . . . A 475 LEU H . 34442 1 98 . 1 . 1 10 10 LEU HA H 1 3.748 0.007 . . . . . . A 475 LEU HA . 34442 1 99 . 1 . 1 10 10 LEU HB2 H 1 2.136 0.005 . . . . . . A 475 LEU HB2 . 34442 1 100 . 1 . 1 10 10 LEU HB3 H 1 1.507 0.000 . . . . . . A 475 LEU HB3 . 34442 1 101 . 1 . 1 10 10 LEU HG H 1 1.498 0.002 . . . . . . A 475 LEU HG . 34442 1 102 . 1 . 1 10 10 LEU HD11 H 1 0.759 0.004 . . . . . . A 475 LEU HD11 . 34442 1 103 . 1 . 1 10 10 LEU HD12 H 1 0.759 0.004 . . . . . . A 475 LEU HD12 . 34442 1 104 . 1 . 1 10 10 LEU HD13 H 1 0.759 0.004 . . . . . . A 475 LEU HD13 . 34442 1 105 . 1 . 1 10 10 LEU HD21 H 1 0.784 0.002 . . . . . . A 475 LEU HD21 . 34442 1 106 . 1 . 1 10 10 LEU HD22 H 1 0.784 0.002 . . . . . . A 475 LEU HD22 . 34442 1 107 . 1 . 1 10 10 LEU HD23 H 1 0.784 0.002 . . . . . . A 475 LEU HD23 . 34442 1 108 . 1 . 1 10 10 LEU C C 13 178.274 0.004 . . . . . . A 475 LEU C . 34442 1 109 . 1 . 1 10 10 LEU CA C 13 58.636 0.031 . . . . . . A 475 LEU CA . 34442 1 110 . 1 . 1 10 10 LEU CB C 13 42.387 0.086 . . . . . . A 475 LEU CB . 34442 1 111 . 1 . 1 10 10 LEU CG C 13 26.475 0.020 . . . . . . A 475 LEU CG . 34442 1 112 . 1 . 1 10 10 LEU CD1 C 13 26.486 0.053 . . . . . . A 475 LEU CD1 . 34442 1 113 . 1 . 1 10 10 LEU CD2 C 13 24.930 0.075 . . . . . . A 475 LEU CD2 . 34442 1 114 . 1 . 1 10 10 LEU N N 15 120.092 0.021 . . . . . . A 475 LEU N . 34442 1 115 . 1 . 1 11 11 GLN H H 1 7.824 0.001 . . . . . . A 476 GLN H . 34442 1 116 . 1 . 1 11 11 GLN HA H 1 4.275 0.007 . . . . . . A 476 GLN HA . 34442 1 117 . 1 . 1 11 11 GLN HB2 H 1 2.104 0.000 . . . . . . A 476 GLN HB2 . 34442 1 118 . 1 . 1 11 11 GLN HB3 H 1 2.194 0.000 . . . . . . A 476 GLN HB3 . 34442 1 119 . 1 . 1 11 11 GLN HG2 H 1 2.674 0.000 . . . . . . A 476 GLN HG2 . 34442 1 120 . 1 . 1 11 11 GLN HG3 H 1 2.437 0.000 . . . . . . A 476 GLN HG3 . 34442 1 121 . 1 . 1 11 11 GLN HE21 H 1 7.943 0.000 . . . . . . A 476 GLN HE21 . 34442 1 122 . 1 . 1 11 11 GLN HE22 H 1 7.396 0.000 . . . . . . A 476 GLN HE22 . 34442 1 123 . 1 . 1 11 11 GLN C C 13 179.503 0.004 . . . . . . A 476 GLN C . 34442 1 124 . 1 . 1 11 11 GLN CA C 13 58.421 0.010 . . . . . . A 476 GLN CA . 34442 1 125 . 1 . 1 11 11 GLN CB C 13 27.441 0.011 . . . . . . A 476 GLN CB . 34442 1 126 . 1 . 1 11 11 GLN CG C 13 32.996 0.011 . . . . . . A 476 GLN CG . 34442 1 127 . 1 . 1 11 11 GLN N N 15 115.655 0.005 . . . . . . A 476 GLN N . 34442 1 128 . 1 . 1 11 11 GLN NE2 N 15 112.610 0.003 . . . . . . A 476 GLN NE2 . 34442 1 129 . 1 . 1 12 12 LYS H H 1 8.261 0.003 . . . . . . A 477 LYS H . 34442 1 130 . 1 . 1 12 12 LYS HA H 1 4.169 0.006 . . . . . . A 477 LYS HA . 34442 1 131 . 1 . 1 12 12 LYS HB2 H 1 2.010 0.008 . . . . . . A 477 LYS HB2 . 34442 1 132 . 1 . 1 12 12 LYS HB3 H 1 2.010 0.008 . . . . . . A 477 LYS HB3 . 34442 1 133 . 1 . 1 12 12 LYS HG2 H 1 1.548 0.000 . . . . . . A 477 LYS HG2 . 34442 1 134 . 1 . 1 12 12 LYS HG3 H 1 1.469 0.008 . . . . . . A 477 LYS HG3 . 34442 1 135 . 1 . 1 12 12 LYS HD2 H 1 1.673 0.000 . . . . . . A 477 LYS HD2 . 34442 1 136 . 1 . 1 12 12 LYS HD3 H 1 1.673 0.000 . . . . . . A 477 LYS HD3 . 34442 1 137 . 1 . 1 12 12 LYS HE2 H 1 2.967 0.000 . . . . . . A 477 LYS HE2 . 34442 1 138 . 1 . 1 12 12 LYS HE3 H 1 2.967 0.000 . . . . . . A 477 LYS HE3 . 34442 1 139 . 1 . 1 12 12 LYS C C 13 179.937 0.003 . . . . . . A 477 LYS C . 34442 1 140 . 1 . 1 12 12 LYS CA C 13 59.581 0.009 . . . . . . A 477 LYS CA . 34442 1 141 . 1 . 1 12 12 LYS CB C 13 32.219 0.026 . . . . . . A 477 LYS CB . 34442 1 142 . 1 . 1 12 12 LYS CG C 13 25.032 0.089 . . . . . . A 477 LYS CG . 34442 1 143 . 1 . 1 12 12 LYS CD C 13 29.184 0.014 . . . . . . A 477 LYS CD . 34442 1 144 . 1 . 1 12 12 LYS N N 15 123.198 0.030 . . . . . . A 477 LYS N . 34442 1 145 . 1 . 1 13 13 LEU H H 1 8.697 0.002 . . . . . . A 478 LEU H . 34442 1 146 . 1 . 1 13 13 LEU HA H 1 4.091 0.007 . . . . . . A 478 LEU HA . 34442 1 147 . 1 . 1 13 13 LEU HB2 H 1 2.035 0.000 . . . . . . A 478 LEU HB2 . 34442 1 148 . 1 . 1 13 13 LEU HB3 H 1 1.245 0.008 . . . . . . A 478 LEU HB3 . 34442 1 149 . 1 . 1 13 13 LEU HG H 1 1.905 0.000 . . . . . . A 478 LEU HG . 34442 1 150 . 1 . 1 13 13 LEU HD11 H 1 0.810 0.002 . . . . . . A 478 LEU HD11 . 34442 1 151 . 1 . 1 13 13 LEU HD12 H 1 0.810 0.002 . . . . . . A 478 LEU HD12 . 34442 1 152 . 1 . 1 13 13 LEU HD13 H 1 0.810 0.002 . . . . . . A 478 LEU HD13 . 34442 1 153 . 1 . 1 13 13 LEU HD21 H 1 1.008 0.001 . . . . . . A 478 LEU HD21 . 34442 1 154 . 1 . 1 13 13 LEU HD22 H 1 1.008 0.001 . . . . . . A 478 LEU HD22 . 34442 1 155 . 1 . 1 13 13 LEU HD23 H 1 1.008 0.001 . . . . . . A 478 LEU HD23 . 34442 1 156 . 1 . 1 13 13 LEU C C 13 179.031 0.003 . . . . . . A 478 LEU C . 34442 1 157 . 1 . 1 13 13 LEU CA C 13 57.827 0.013 . . . . . . A 478 LEU CA . 34442 1 158 . 1 . 1 13 13 LEU CB C 13 41.982 0.006 . . . . . . A 478 LEU CB . 34442 1 159 . 1 . 1 13 13 LEU CG C 13 26.583 0.419 . . . . . . A 478 LEU CG . 34442 1 160 . 1 . 1 13 13 LEU CD1 C 13 26.144 0.045 . . . . . . A 478 LEU CD1 . 34442 1 161 . 1 . 1 13 13 LEU CD2 C 13 22.487 0.046 . . . . . . A 478 LEU CD2 . 34442 1 162 . 1 . 1 13 13 LEU N N 15 120.609 0.004 . . . . . . A 478 LEU N . 34442 1 163 . 1 . 1 14 14 HIS H H 1 8.487 0.002 . . . . . . A 479 HIS H . 34442 1 164 . 1 . 1 14 14 HIS HA H 1 4.322 0.000 . . . . . . A 479 HIS HA . 34442 1 165 . 1 . 1 14 14 HIS HB2 H 1 3.151 0.007 . . . . . . A 479 HIS HB2 . 34442 1 166 . 1 . 1 14 14 HIS HB3 H 1 3.647 0.003 . . . . . . A 479 HIS HB3 . 34442 1 167 . 1 . 1 14 14 HIS HD2 H 1 6.734 0.002 . . . . . . A 479 HIS HD2 . 34442 1 168 . 1 . 1 14 14 HIS C C 13 176.798 0.003 . . . . . . A 479 HIS C . 34442 1 169 . 1 . 1 14 14 HIS CA C 13 57.888 0.007 . . . . . . A 479 HIS CA . 34442 1 170 . 1 . 1 14 14 HIS CB C 13 29.850 0.019 . . . . . . A 479 HIS CB . 34442 1 171 . 1 . 1 14 14 HIS CD2 C 13 125.453 0.000 . . . . . . A 479 HIS CD2 . 34442 1 172 . 1 . 1 14 14 HIS N N 15 118.466 0.006 . . . . . . A 479 HIS N . 34442 1 173 . 1 . 1 15 15 SER H H 1 8.111 0.002 . . . . . . A 480 SER H . 34442 1 174 . 1 . 1 15 15 SER HA H 1 4.036 0.000 . . . . . . A 480 SER HA . 34442 1 175 . 1 . 1 15 15 SER HB2 H 1 3.930 0.000 . . . . . . A 480 SER HB2 . 34442 1 176 . 1 . 1 15 15 SER HB3 H 1 3.930 0.000 . . . . . . A 480 SER HB3 . 34442 1 177 . 1 . 1 15 15 SER C C 13 176.019 0.007 . . . . . . A 480 SER C . 34442 1 178 . 1 . 1 15 15 SER CA C 13 62.548 0.040 . . . . . . A 480 SER CA . 34442 1 179 . 1 . 1 15 15 SER N N 15 113.610 0.010 . . . . . . A 480 SER N . 34442 1 180 . 1 . 1 16 16 GLU H H 1 8.043 0.002 . . . . . . A 481 GLU H . 34442 1 181 . 1 . 1 16 16 GLU HA H 1 4.068 0.000 . . . . . . A 481 GLU HA . 34442 1 182 . 1 . 1 16 16 GLU HB2 H 1 2.390 0.000 . . . . . . A 481 GLU HB2 . 34442 1 183 . 1 . 1 16 16 GLU HB3 H 1 2.045 0.000 . . . . . . A 481 GLU HB3 . 34442 1 184 . 1 . 1 16 16 GLU HG2 H 1 2.363 0.000 . . . . . . A 481 GLU HG2 . 34442 1 185 . 1 . 1 16 16 GLU HG3 H 1 2.363 0.000 . . . . . . A 481 GLU HG3 . 34442 1 186 . 1 . 1 16 16 GLU C C 13 178.457 0.003 . . . . . . A 481 GLU C . 34442 1 187 . 1 . 1 16 16 GLU CA C 13 59.570 0.008 . . . . . . A 481 GLU CA . 34442 1 188 . 1 . 1 16 16 GLU CB C 13 30.706 0.009 . . . . . . A 481 GLU CB . 34442 1 189 . 1 . 1 16 16 GLU CG C 13 36.343 0.003 . . . . . . A 481 GLU CG . 34442 1 190 . 1 . 1 16 16 GLU N N 15 121.770 0.004 . . . . . . A 481 GLU N . 34442 1 191 . 1 . 1 17 17 ILE H H 1 8.070 0.001 . . . . . . A 482 ILE H . 34442 1 192 . 1 . 1 17 17 ILE HA H 1 3.526 0.000 . . . . . . A 482 ILE HA . 34442 1 193 . 1 . 1 17 17 ILE HB H 1 2.005 0.000 . . . . . . A 482 ILE HB . 34442 1 194 . 1 . 1 17 17 ILE HG12 H 1 1.088 0.000 . . . . . . A 482 ILE HG12 . 34442 1 195 . 1 . 1 17 17 ILE HG13 H 1 1.927 0.000 . . . . . . A 482 ILE HG13 . 34442 1 196 . 1 . 1 17 17 ILE HG21 H 1 0.792 0.000 . . . . . . A 482 ILE HG21 . 34442 1 197 . 1 . 1 17 17 ILE HG22 H 1 0.792 0.000 . . . . . . A 482 ILE HG22 . 34442 1 198 . 1 . 1 17 17 ILE HG23 H 1 0.792 0.000 . . . . . . A 482 ILE HG23 . 34442 1 199 . 1 . 1 17 17 ILE HD11 H 1 0.740 0.010 . . . . . . A 482 ILE HD11 . 34442 1 200 . 1 . 1 17 17 ILE HD12 H 1 0.740 0.010 . . . . . . A 482 ILE HD12 . 34442 1 201 . 1 . 1 17 17 ILE HD13 H 1 0.740 0.010 . . . . . . A 482 ILE HD13 . 34442 1 202 . 1 . 1 17 17 ILE C C 13 176.732 0.004 . . . . . . A 482 ILE C . 34442 1 203 . 1 . 1 17 17 ILE CA C 13 66.179 0.009 . . . . . . A 482 ILE CA . 34442 1 204 . 1 . 1 17 17 ILE CB C 13 38.553 0.015 . . . . . . A 482 ILE CB . 34442 1 205 . 1 . 1 17 17 ILE CG1 C 13 30.052 0.031 . . . . . . A 482 ILE CG1 . 34442 1 206 . 1 . 1 17 17 ILE CG2 C 13 17.333 0.005 . . . . . . A 482 ILE CG2 . 34442 1 207 . 1 . 1 17 17 ILE CD1 C 13 14.596 0.000 . . . . . . A 482 ILE CD1 . 34442 1 208 . 1 . 1 17 17 ILE N N 15 118.907 0.004 . . . . . . A 482 ILE N . 34442 1 209 . 1 . 1 18 18 LYS H H 1 7.726 0.002 . . . . . . A 483 LYS H . 34442 1 210 . 1 . 1 18 18 LYS HA H 1 3.761 0.000 . . . . . . A 483 LYS HA . 34442 1 211 . 1 . 1 18 18 LYS HB2 H 1 1.648 0.000 . . . . . . A 483 LYS HB2 . 34442 1 212 . 1 . 1 18 18 LYS HB3 H 1 1.538 0.000 . . . . . . A 483 LYS HB3 . 34442 1 213 . 1 . 1 18 18 LYS HG2 H 1 1.388 0.000 . . . . . . A 483 LYS HG2 . 34442 1 214 . 1 . 1 18 18 LYS HG3 H 1 1.220 0.007 . . . . . . A 483 LYS HG3 . 34442 1 215 . 1 . 1 18 18 LYS HD2 H 1 1.423 0.012 . . . . . . A 483 LYS HD2 . 34442 1 216 . 1 . 1 18 18 LYS HD3 H 1 1.320 0.000 . . . . . . A 483 LYS HD3 . 34442 1 217 . 1 . 1 18 18 LYS HE2 H 1 2.495 0.001 . . . . . . A 483 LYS HE2 . 34442 1 218 . 1 . 1 18 18 LYS HE3 H 1 1.891 0.000 . . . . . . A 483 LYS HE3 . 34442 1 219 . 1 . 1 18 18 LYS C C 13 180.236 0.004 . . . . . . A 483 LYS C . 34442 1 220 . 1 . 1 18 18 LYS CA C 13 60.126 0.008 . . . . . . A 483 LYS CA . 34442 1 221 . 1 . 1 18 18 LYS CB C 13 32.049 0.007 . . . . . . A 483 LYS CB . 34442 1 222 . 1 . 1 18 18 LYS CG C 13 25.663 0.022 . . . . . . A 483 LYS CG . 34442 1 223 . 1 . 1 18 18 LYS CD C 13 29.369 0.013 . . . . . . A 483 LYS CD . 34442 1 224 . 1 . 1 18 18 LYS CE C 13 40.961 0.006 . . . . . . A 483 LYS CE . 34442 1 225 . 1 . 1 18 18 LYS N N 15 116.106 0.011 . . . . . . A 483 LYS N . 34442 1 226 . 1 . 1 19 19 PHE H H 1 8.411 0.001 . . . . . . A 484 PHE H . 34442 1 227 . 1 . 1 19 19 PHE HA H 1 4.247 0.000 . . . . . . A 484 PHE HA . 34442 1 228 . 1 . 1 19 19 PHE HB2 H 1 3.125 0.002 . . . . . . A 484 PHE HB2 . 34442 1 229 . 1 . 1 19 19 PHE HB3 H 1 3.125 0.002 . . . . . . A 484 PHE HB3 . 34442 1 230 . 1 . 1 19 19 PHE HD1 H 1 7.213 0.001 . . . . . . A 484 PHE HD1 . 34442 1 231 . 1 . 1 19 19 PHE HD2 H 1 7.213 0.001 . . . . . . A 484 PHE HD2 . 34442 1 232 . 1 . 1 19 19 PHE HE1 H 1 7.340 0.000 . . . . . . A 484 PHE HE1 . 34442 1 233 . 1 . 1 19 19 PHE HE2 H 1 7.340 0.000 . . . . . . A 484 PHE HE2 . 34442 1 234 . 1 . 1 19 19 PHE HZ H 1 7.241 0.000 . . . . . . A 484 PHE HZ . 34442 1 235 . 1 . 1 19 19 PHE C C 13 178.361 0.002 . . . . . . A 484 PHE C . 34442 1 236 . 1 . 1 19 19 PHE CA C 13 60.363 0.018 . . . . . . A 484 PHE CA . 34442 1 237 . 1 . 1 19 19 PHE CB C 13 38.858 0.012 . . . . . . A 484 PHE CB . 34442 1 238 . 1 . 1 19 19 PHE CD1 C 13 131.554 0.022 . . . . . . A 484 PHE CD1 . 34442 1 239 . 1 . 1 19 19 PHE CE1 C 13 131.467 0.000 . . . . . . A 484 PHE CE1 . 34442 1 240 . 1 . 1 19 19 PHE CZ C 13 129.718 0.000 . . . . . . A 484 PHE CZ . 34442 1 241 . 1 . 1 19 19 PHE N N 15 118.472 0.004 . . . . . . A 484 PHE N . 34442 1 242 . 1 . 1 20 20 ALA H H 1 8.356 0.001 . . . . . . A 485 ALA H . 34442 1 243 . 1 . 1 20 20 ALA HA H 1 4.147 0.000 . . . . . . A 485 ALA HA . 34442 1 244 . 1 . 1 20 20 ALA HB1 H 1 1.594 0.000 . . . . . . A 485 ALA HB1 . 34442 1 245 . 1 . 1 20 20 ALA HB2 H 1 1.594 0.000 . . . . . . A 485 ALA HB2 . 34442 1 246 . 1 . 1 20 20 ALA HB3 H 1 1.594 0.000 . . . . . . A 485 ALA HB3 . 34442 1 247 . 1 . 1 20 20 ALA C C 13 177.788 0.002 . . . . . . A 485 ALA C . 34442 1 248 . 1 . 1 20 20 ALA CA C 13 54.579 0.007 . . . . . . A 485 ALA CA . 34442 1 249 . 1 . 1 20 20 ALA CB C 13 18.736 0.005 . . . . . . A 485 ALA CB . 34442 1 250 . 1 . 1 20 20 ALA N N 15 120.158 0.006 . . . . . . A 485 ALA N . 34442 1 251 . 1 . 1 21 21 LEU H H 1 7.211 0.001 . . . . . . A 486 LEU H . 34442 1 252 . 1 . 1 21 21 LEU HA H 1 4.368 0.005 . . . . . . A 486 LEU HA . 34442 1 253 . 1 . 1 21 21 LEU HB2 H 1 1.542 0.009 . . . . . . A 486 LEU HB2 . 34442 1 254 . 1 . 1 21 21 LEU HB3 H 1 1.542 0.009 . . . . . . A 486 LEU HB3 . 34442 1 255 . 1 . 1 21 21 LEU HG H 1 1.652 0.000 . . . . . . A 486 LEU HG . 34442 1 256 . 1 . 1 21 21 LEU HD11 H 1 0.497 0.001 . . . . . . A 486 LEU HD11 . 34442 1 257 . 1 . 1 21 21 LEU HD12 H 1 0.497 0.001 . . . . . . A 486 LEU HD12 . 34442 1 258 . 1 . 1 21 21 LEU HD13 H 1 0.497 0.001 . . . . . . A 486 LEU HD13 . 34442 1 259 . 1 . 1 21 21 LEU HD21 H 1 0.452 0.001 . . . . . . A 486 LEU HD21 . 34442 1 260 . 1 . 1 21 21 LEU HD22 H 1 0.452 0.001 . . . . . . A 486 LEU HD22 . 34442 1 261 . 1 . 1 21 21 LEU HD23 H 1 0.452 0.001 . . . . . . A 486 LEU HD23 . 34442 1 262 . 1 . 1 21 21 LEU C C 13 176.837 0.002 . . . . . . A 486 LEU C . 34442 1 263 . 1 . 1 21 21 LEU CA C 13 53.565 0.026 . . . . . . A 486 LEU CA . 34442 1 264 . 1 . 1 21 21 LEU CB C 13 40.734 0.017 . . . . . . A 486 LEU CB . 34442 1 265 . 1 . 1 21 21 LEU CG C 13 26.277 0.003 . . . . . . A 486 LEU CG . 34442 1 266 . 1 . 1 21 21 LEU CD1 C 13 25.718 0.007 . . . . . . A 486 LEU CD1 . 34442 1 267 . 1 . 1 21 21 LEU CD2 C 13 20.856 0.019 . . . . . . A 486 LEU CD2 . 34442 1 268 . 1 . 1 21 21 LEU N N 15 113.676 0.003 . . . . . . A 486 LEU N . 34442 1 269 . 1 . 1 22 22 LYS H H 1 7.117 0.003 . . . . . . A 487 LYS H . 34442 1 270 . 1 . 1 22 22 LYS HA H 1 4.163 0.010 . . . . . . A 487 LYS HA . 34442 1 271 . 1 . 1 22 22 LYS HB2 H 1 1.776 0.000 . . . . . . A 487 LYS HB2 . 34442 1 272 . 1 . 1 22 22 LYS HB3 H 1 1.776 0.000 . . . . . . A 487 LYS HB3 . 34442 1 273 . 1 . 1 22 22 LYS HG2 H 1 1.502 0.000 . . . . . . A 487 LYS HG2 . 34442 1 274 . 1 . 1 22 22 LYS HG3 H 1 1.434 0.000 . . . . . . A 487 LYS HG3 . 34442 1 275 . 1 . 1 22 22 LYS HD2 H 1 1.617 0.000 . . . . . . A 487 LYS HD2 . 34442 1 276 . 1 . 1 22 22 LYS HD3 H 1 1.574 0.000 . . . . . . A 487 LYS HD3 . 34442 1 277 . 1 . 1 22 22 LYS HE2 H 1 2.874 0.003 . . . . . . A 487 LYS HE2 . 34442 1 278 . 1 . 1 22 22 LYS HE3 H 1 2.874 0.003 . . . . . . A 487 LYS HE3 . 34442 1 279 . 1 . 1 22 22 LYS C C 13 177.572 0.001 . . . . . . A 487 LYS C . 34442 1 280 . 1 . 1 22 22 LYS CA C 13 57.141 0.005 . . . . . . A 487 LYS CA . 34442 1 281 . 1 . 1 22 22 LYS CB C 13 32.750 0.036 . . . . . . A 487 LYS CB . 34442 1 282 . 1 . 1 22 22 LYS CG C 13 24.502 0.024 . . . . . . A 487 LYS CG . 34442 1 283 . 1 . 1 22 22 LYS CD C 13 29.406 0.020 . . . . . . A 487 LYS CD . 34442 1 284 . 1 . 1 22 22 LYS CE C 13 41.944 0.000 . . . . . . A 487 LYS CE . 34442 1 285 . 1 . 1 22 22 LYS N N 15 122.029 0.002 . . . . . . A 487 LYS N . 34442 1 286 . 1 . 1 23 23 VAL H H 1 7.761 0.001 . . . . . . A 488 VAL H . 34442 1 287 . 1 . 1 23 23 VAL HA H 1 3.835 0.000 . . . . . . A 488 VAL HA . 34442 1 288 . 1 . 1 23 23 VAL HB H 1 2.125 0.000 . . . . . . A 488 VAL HB . 34442 1 289 . 1 . 1 23 23 VAL HG11 H 1 0.992 0.000 . . . . . . A 488 VAL HG11 . 34442 1 290 . 1 . 1 23 23 VAL HG12 H 1 0.992 0.000 . . . . . . A 488 VAL HG12 . 34442 1 291 . 1 . 1 23 23 VAL HG13 H 1 0.992 0.000 . . . . . . A 488 VAL HG13 . 34442 1 292 . 1 . 1 23 23 VAL HG21 H 1 0.992 0.000 . . . . . . A 488 VAL HG21 . 34442 1 293 . 1 . 1 23 23 VAL HG22 H 1 0.992 0.000 . . . . . . A 488 VAL HG22 . 34442 1 294 . 1 . 1 23 23 VAL HG23 H 1 0.992 0.000 . . . . . . A 488 VAL HG23 . 34442 1 295 . 1 . 1 23 23 VAL C C 13 176.525 0.008 . . . . . . A 488 VAL C . 34442 1 296 . 1 . 1 23 23 VAL CA C 13 64.261 0.006 . . . . . . A 488 VAL CA . 34442 1 297 . 1 . 1 23 23 VAL CB C 13 32.254 0.092 . . . . . . A 488 VAL CB . 34442 1 298 . 1 . 1 23 23 VAL CG1 C 13 21.322 0.105 . . . . . . A 488 VAL CG1 . 34442 1 299 . 1 . 1 23 23 VAL CG2 C 13 20.698 0.094 . . . . . . A 488 VAL CG2 . 34442 1 300 . 1 . 1 23 23 VAL N N 15 118.996 0.004 . . . . . . A 488 VAL N . 34442 1 301 . 1 . 1 24 24 ASP H H 1 8.317 0.001 . . . . . . A 489 ASP H . 34442 1 302 . 1 . 1 24 24 ASP HA H 1 4.458 0.000 . . . . . . A 489 ASP HA . 34442 1 303 . 1 . 1 24 24 ASP HB2 H 1 2.667 0.000 . . . . . . A 489 ASP HB2 . 34442 1 304 . 1 . 1 24 24 ASP HB3 H 1 2.667 0.000 . . . . . . A 489 ASP HB3 . 34442 1 305 . 1 . 1 24 24 ASP C C 13 176.512 0.001 . . . . . . A 489 ASP C . 34442 1 306 . 1 . 1 24 24 ASP CA C 13 55.288 0.010 . . . . . . A 489 ASP CA . 34442 1 307 . 1 . 1 24 24 ASP CB C 13 40.745 0.003 . . . . . . A 489 ASP CB . 34442 1 308 . 1 . 1 24 24 ASP N N 15 117.857 0.005 . . . . . . A 489 ASP N . 34442 1 309 . 1 . 1 25 25 SER H H 1 7.574 0.002 . . . . . . A 490 SER H . 34442 1 310 . 1 . 1 25 25 SER HA H 1 4.626 0.001 . . . . . . A 490 SER HA . 34442 1 311 . 1 . 1 25 25 SER HB2 H 1 3.774 0.001 . . . . . . A 490 SER HB2 . 34442 1 312 . 1 . 1 25 25 SER HB3 H 1 3.774 0.001 . . . . . . A 490 SER HB3 . 34442 1 313 . 1 . 1 25 25 SER C C 13 180.823 0.000 . . . . . . A 490 SER C . 34442 1 314 . 1 . 1 25 25 SER CA C 13 55.747 0.011 . . . . . . A 490 SER CA . 34442 1 315 . 1 . 1 25 25 SER CB C 13 62.608 0.005 . . . . . . A 490 SER CB . 34442 1 316 . 1 . 1 25 25 SER N N 15 112.271 0.002 . . . . . . A 490 SER N . 34442 1 317 . 1 . 1 26 26 PRO HA H 1 4.465 0.007 . . . . . . A 491 PRO HA . 34442 1 318 . 1 . 1 26 26 PRO HB2 H 1 1.791 0.000 . . . . . . A 491 PRO HB2 . 34442 1 319 . 1 . 1 26 26 PRO HB3 H 1 2.265 0.000 . . . . . . A 491 PRO HB3 . 34442 1 320 . 1 . 1 26 26 PRO HG2 H 1 2.067 0.001 . . . . . . A 491 PRO HG2 . 34442 1 321 . 1 . 1 26 26 PRO HG3 H 1 2.067 0.001 . . . . . . A 491 PRO HG3 . 34442 1 322 . 1 . 1 26 26 PRO HD2 H 1 3.625 0.001 . . . . . . A 491 PRO HD2 . 34442 1 323 . 1 . 1 26 26 PRO HD3 H 1 3.625 0.001 . . . . . . A 491 PRO HD3 . 34442 1 324 . 1 . 1 26 26 PRO C C 13 177.048 0.001 . . . . . . A 491 PRO C . 34442 1 325 . 1 . 1 26 26 PRO CA C 13 63.538 0.005 . . . . . . A 491 PRO CA . 34442 1 326 . 1 . 1 26 26 PRO CB C 13 32.361 0.010 . . . . . . A 491 PRO CB . 34442 1 327 . 1 . 1 26 26 PRO CG C 13 27.424 0.027 . . . . . . A 491 PRO CG . 34442 1 328 . 1 . 1 26 26 PRO CD C 13 50.275 0.007 . . . . . . A 491 PRO CD . 34442 1 329 . 1 . 1 27 27 ASP H H 1 9.186 0.001 . . . . . . A 492 ASP H . 34442 1 330 . 1 . 1 27 27 ASP HA H 1 4.825 0.000 . . . . . . A 492 ASP HA . 34442 1 331 . 1 . 1 27 27 ASP HB2 H 1 2.565 0.000 . . . . . . A 492 ASP HB2 . 34442 1 332 . 1 . 1 27 27 ASP HB3 H 1 2.954 0.000 . . . . . . A 492 ASP HB3 . 34442 1 333 . 1 . 1 27 27 ASP C C 13 176.028 0.003 . . . . . . A 492 ASP C . 34442 1 334 . 1 . 1 27 27 ASP CA C 13 52.173 0.015 . . . . . . A 492 ASP CA . 34442 1 335 . 1 . 1 27 27 ASP CB C 13 41.000 0.001 . . . . . . A 492 ASP CB . 34442 1 336 . 1 . 1 27 27 ASP N N 15 123.320 0.004 . . . . . . A 492 ASP N . 34442 1 337 . 1 . 1 28 28 VAL H H 1 8.322 0.001 . . . . . . A 493 VAL H . 34442 1 338 . 1 . 1 28 28 VAL HA H 1 3.366 0.007 . . . . . . A 493 VAL HA . 34442 1 339 . 1 . 1 28 28 VAL HB H 1 2.060 0.000 . . . . . . A 493 VAL HB . 34442 1 340 . 1 . 1 28 28 VAL HG11 H 1 0.963 0.013 . . . . . . A 493 VAL HG11 . 34442 1 341 . 1 . 1 28 28 VAL HG12 H 1 0.963 0.013 . . . . . . A 493 VAL HG12 . 34442 1 342 . 1 . 1 28 28 VAL HG13 H 1 0.963 0.013 . . . . . . A 493 VAL HG13 . 34442 1 343 . 1 . 1 28 28 VAL HG21 H 1 1.043 0.011 . . . . . . A 493 VAL HG21 . 34442 1 344 . 1 . 1 28 28 VAL HG22 H 1 1.043 0.011 . . . . . . A 493 VAL HG22 . 34442 1 345 . 1 . 1 28 28 VAL HG23 H 1 1.043 0.011 . . . . . . A 493 VAL HG23 . 34442 1 346 . 1 . 1 28 28 VAL C C 13 177.569 0.002 . . . . . . A 493 VAL C . 34442 1 347 . 1 . 1 28 28 VAL CA C 13 66.929 0.001 . . . . . . A 493 VAL CA . 34442 1 348 . 1 . 1 28 28 VAL CB C 13 31.692 0.016 . . . . . . A 493 VAL CB . 34442 1 349 . 1 . 1 28 28 VAL CG1 C 13 21.336 0.023 . . . . . . A 493 VAL CG1 . 34442 1 350 . 1 . 1 28 28 VAL CG2 C 13 21.656 0.003 . . . . . . A 493 VAL CG2 . 34442 1 351 . 1 . 1 28 28 VAL N N 15 122.993 0.011 . . . . . . A 493 VAL N . 34442 1 352 . 1 . 1 29 29 LYS H H 1 8.396 0.001 . . . . . . A 494 LYS H . 34442 1 353 . 1 . 1 29 29 LYS HA H 1 3.940 0.007 . . . . . . A 494 LYS HA . 34442 1 354 . 1 . 1 29 29 LYS HB2 H 1 1.883 0.000 . . . . . . A 494 LYS HB2 . 34442 1 355 . 1 . 1 29 29 LYS HB3 H 1 1.883 0.000 . . . . . . A 494 LYS HB3 . 34442 1 356 . 1 . 1 29 29 LYS HG2 H 1 1.534 0.000 . . . . . . A 494 LYS HG2 . 34442 1 357 . 1 . 1 29 29 LYS HG3 H 1 1.425 0.000 . . . . . . A 494 LYS HG3 . 34442 1 358 . 1 . 1 29 29 LYS HD2 H 1 1.694 0.000 . . . . . . A 494 LYS HD2 . 34442 1 359 . 1 . 1 29 29 LYS HD3 H 1 1.694 0.000 . . . . . . A 494 LYS HD3 . 34442 1 360 . 1 . 1 29 29 LYS HE2 H 1 2.995 0.001 . . . . . . A 494 LYS HE2 . 34442 1 361 . 1 . 1 29 29 LYS HE3 H 1 2.995 0.001 . . . . . . A 494 LYS HE3 . 34442 1 362 . 1 . 1 29 29 LYS C C 13 178.498 0.002 . . . . . . A 494 LYS C . 34442 1 363 . 1 . 1 29 29 LYS CA C 13 59.772 0.008 . . . . . . A 494 LYS CA . 34442 1 364 . 1 . 1 29 29 LYS CB C 13 31.662 0.010 . . . . . . A 494 LYS CB . 34442 1 365 . 1 . 1 29 29 LYS CG C 13 24.915 0.007 . . . . . . A 494 LYS CG . 34442 1 366 . 1 . 1 29 29 LYS CD C 13 28.946 0.027 . . . . . . A 494 LYS CD . 34442 1 367 . 1 . 1 29 29 LYS CE C 13 42.074 0.000 . . . . . . A 494 LYS CE . 34442 1 368 . 1 . 1 29 29 LYS N N 15 120.646 0.003 . . . . . . A 494 LYS N . 34442 1 369 . 1 . 1 30 30 ARG H H 1 7.633 0.002 . . . . . . A 495 ARG H . 34442 1 370 . 1 . 1 30 30 ARG HA H 1 4.042 0.000 . . . . . . A 495 ARG HA . 34442 1 371 . 1 . 1 30 30 ARG HB2 H 1 1.884 0.000 . . . . . . A 495 ARG HB2 . 34442 1 372 . 1 . 1 30 30 ARG HB3 H 1 1.774 0.002 . . . . . . A 495 ARG HB3 . 34442 1 373 . 1 . 1 30 30 ARG HG2 H 1 1.480 0.000 . . . . . . A 495 ARG HG2 . 34442 1 374 . 1 . 1 30 30 ARG HG3 H 1 1.480 0.000 . . . . . . A 495 ARG HG3 . 34442 1 375 . 1 . 1 30 30 ARG HD2 H 1 3.211 0.000 . . . . . . A 495 ARG HD2 . 34442 1 376 . 1 . 1 30 30 ARG HD3 H 1 3.054 0.000 . . . . . . A 495 ARG HD3 . 34442 1 377 . 1 . 1 30 30 ARG C C 13 179.154 0.002 . . . . . . A 495 ARG C . 34442 1 378 . 1 . 1 30 30 ARG CA C 13 59.045 0.019 . . . . . . A 495 ARG CA . 34442 1 379 . 1 . 1 30 30 ARG CB C 13 30.757 0.036 . . . . . . A 495 ARG CB . 34442 1 380 . 1 . 1 30 30 ARG CG C 13 27.240 0.000 . . . . . . A 495 ARG CG . 34442 1 381 . 1 . 1 30 30 ARG CD C 13 44.500 0.010 . . . . . . A 495 ARG CD . 34442 1 382 . 1 . 1 30 30 ARG N N 15 119.609 0.003 . . . . . . A 495 ARG N . 34442 1 383 . 1 . 1 31 31 CYS H H 1 7.891 0.001 . . . . . . A 496 CYS H . 34442 1 384 . 1 . 1 31 31 CYS HA H 1 3.815 0.000 . . . . . . A 496 CYS HA . 34442 1 385 . 1 . 1 31 31 CYS HB2 H 1 2.748 0.000 . . . . . . A 496 CYS HB2 . 34442 1 386 . 1 . 1 31 31 CYS HB3 H 1 3.078 0.000 . . . . . . A 496 CYS HB3 . 34442 1 387 . 1 . 1 31 31 CYS C C 13 176.094 0.002 . . . . . . A 496 CYS C . 34442 1 388 . 1 . 1 31 31 CYS CA C 13 63.108 0.007 . . . . . . A 496 CYS CA . 34442 1 389 . 1 . 1 31 31 CYS CB C 13 26.464 0.008 . . . . . . A 496 CYS CB . 34442 1 390 . 1 . 1 31 31 CYS N N 15 119.084 0.011 . . . . . . A 496 CYS N . 34442 1 391 . 1 . 1 32 32 LEU H H 1 8.876 0.002 . . . . . . A 497 LEU H . 34442 1 392 . 1 . 1 32 32 LEU HA H 1 3.937 0.003 . . . . . . A 497 LEU HA . 34442 1 393 . 1 . 1 32 32 LEU HB2 H 1 1.942 0.000 . . . . . . A 497 LEU HB2 . 34442 1 394 . 1 . 1 32 32 LEU HB3 H 1 1.556 0.000 . . . . . . A 497 LEU HB3 . 34442 1 395 . 1 . 1 32 32 LEU HG H 1 1.785 0.000 . . . . . . A 497 LEU HG . 34442 1 396 . 1 . 1 32 32 LEU HD11 H 1 0.858 0.000 . . . . . . A 497 LEU HD11 . 34442 1 397 . 1 . 1 32 32 LEU HD12 H 1 0.858 0.000 . . . . . . A 497 LEU HD12 . 34442 1 398 . 1 . 1 32 32 LEU HD13 H 1 0.858 0.000 . . . . . . A 497 LEU HD13 . 34442 1 399 . 1 . 1 32 32 LEU HD21 H 1 0.746 0.000 . . . . . . A 497 LEU HD21 . 34442 1 400 . 1 . 1 32 32 LEU HD22 H 1 0.746 0.000 . . . . . . A 497 LEU HD22 . 34442 1 401 . 1 . 1 32 32 LEU HD23 H 1 0.746 0.000 . . . . . . A 497 LEU HD23 . 34442 1 402 . 1 . 1 32 32 LEU C C 13 179.251 0.002 . . . . . . A 497 LEU C . 34442 1 403 . 1 . 1 32 32 LEU CA C 13 58.736 0.005 . . . . . . A 497 LEU CA . 34442 1 404 . 1 . 1 32 32 LEU CB C 13 41.166 0.001 . . . . . . A 497 LEU CB . 34442 1 405 . 1 . 1 32 32 LEU CG C 13 26.885 0.000 . . . . . . A 497 LEU CG . 34442 1 406 . 1 . 1 32 32 LEU CD1 C 13 25.826 0.000 . . . . . . A 497 LEU CD1 . 34442 1 407 . 1 . 1 32 32 LEU CD2 C 13 22.994 0.000 . . . . . . A 497 LEU CD2 . 34442 1 408 . 1 . 1 32 32 LEU N N 15 119.120 0.003 . . . . . . A 497 LEU N . 34442 1 409 . 1 . 1 33 33 ASN H H 1 8.370 0.001 . . . . . . A 498 ASN H . 34442 1 410 . 1 . 1 33 33 ASN HA H 1 4.446 0.000 . . . . . . A 498 ASN HA . 34442 1 411 . 1 . 1 33 33 ASN HB2 H 1 2.823 0.000 . . . . . . A 498 ASN HB2 . 34442 1 412 . 1 . 1 33 33 ASN HB3 H 1 2.823 0.000 . . . . . . A 498 ASN HB3 . 34442 1 413 . 1 . 1 33 33 ASN C C 13 177.849 0.003 . . . . . . A 498 ASN C . 34442 1 414 . 1 . 1 33 33 ASN CA C 13 56.131 0.008 . . . . . . A 498 ASN CA . 34442 1 415 . 1 . 1 33 33 ASN CB C 13 38.104 0.002 . . . . . . A 498 ASN CB . 34442 1 416 . 1 . 1 33 33 ASN N N 15 117.938 0.004 . . . . . . A 498 ASN N . 34442 1 417 . 1 . 1 34 34 ALA H H 1 7.687 0.001 . . . . . . A 499 ALA H . 34442 1 418 . 1 . 1 34 34 ALA HA H 1 4.305 0.000 . . . . . . A 499 ALA HA . 34442 1 419 . 1 . 1 34 34 ALA HB1 H 1 1.555 0.000 . . . . . . A 499 ALA HB1 . 34442 1 420 . 1 . 1 34 34 ALA HB2 H 1 1.555 0.000 . . . . . . A 499 ALA HB2 . 34442 1 421 . 1 . 1 34 34 ALA HB3 H 1 1.555 0.000 . . . . . . A 499 ALA HB3 . 34442 1 422 . 1 . 1 34 34 ALA C C 13 179.823 0.004 . . . . . . A 499 ALA C . 34442 1 423 . 1 . 1 34 34 ALA CA C 13 54.984 0.006 . . . . . . A 499 ALA CA . 34442 1 424 . 1 . 1 34 34 ALA CB C 13 18.818 0.004 . . . . . . A 499 ALA CB . 34442 1 425 . 1 . 1 34 34 ALA N N 15 122.913 0.002 . . . . . . A 499 ALA N . 34442 1 426 . 1 . 1 35 35 LEU H H 1 8.604 0.002 . . . . . . A 500 LEU H . 34442 1 427 . 1 . 1 35 35 LEU HA H 1 3.932 0.000 . . . . . . A 500 LEU HA . 34442 1 428 . 1 . 1 35 35 LEU HB2 H 1 2.108 0.000 . . . . . . A 500 LEU HB2 . 34442 1 429 . 1 . 1 35 35 LEU HB3 H 1 1.227 0.000 . . . . . . A 500 LEU HB3 . 34442 1 430 . 1 . 1 35 35 LEU HG H 1 1.909 0.000 . . . . . . A 500 LEU HG . 34442 1 431 . 1 . 1 35 35 LEU HD11 H 1 0.815 0.000 . . . . . . A 500 LEU HD11 . 34442 1 432 . 1 . 1 35 35 LEU HD12 H 1 0.815 0.000 . . . . . . A 500 LEU HD12 . 34442 1 433 . 1 . 1 35 35 LEU HD13 H 1 0.815 0.000 . . . . . . A 500 LEU HD13 . 34442 1 434 . 1 . 1 35 35 LEU HD21 H 1 0.761 0.000 . . . . . . A 500 LEU HD21 . 34442 1 435 . 1 . 1 35 35 LEU HD22 H 1 0.761 0.000 . . . . . . A 500 LEU HD22 . 34442 1 436 . 1 . 1 35 35 LEU HD23 H 1 0.761 0.000 . . . . . . A 500 LEU HD23 . 34442 1 437 . 1 . 1 35 35 LEU C C 13 178.268 0.004 . . . . . . A 500 LEU C . 34442 1 438 . 1 . 1 35 35 LEU CA C 13 58.086 0.041 . . . . . . A 500 LEU CA . 34442 1 439 . 1 . 1 35 35 LEU CB C 13 42.712 0.024 . . . . . . A 500 LEU CB . 34442 1 440 . 1 . 1 35 35 LEU CG C 13 27.127 0.229 . . . . . . A 500 LEU CG . 34442 1 441 . 1 . 1 35 35 LEU CD1 C 13 27.169 0.053 . . . . . . A 500 LEU CD1 . 34442 1 442 . 1 . 1 35 35 LEU CD2 C 13 24.478 0.073 . . . . . . A 500 LEU CD2 . 34442 1 443 . 1 . 1 35 35 LEU N N 15 118.112 0.005 . . . . . . A 500 LEU N . 34442 1 444 . 1 . 1 36 36 GLU H H 1 8.259 0.002 . . . . . . A 501 GLU H . 34442 1 445 . 1 . 1 36 36 GLU HA H 1 3.981 0.000 . . . . . . A 501 GLU HA . 34442 1 446 . 1 . 1 36 36 GLU HB2 H 1 2.121 0.000 . . . . . . A 501 GLU HB2 . 34442 1 447 . 1 . 1 36 36 GLU HB3 H 1 2.163 0.000 . . . . . . A 501 GLU HB3 . 34442 1 448 . 1 . 1 36 36 GLU HG2 H 1 2.340 0.000 . . . . . . A 501 GLU HG2 . 34442 1 449 . 1 . 1 36 36 GLU HG3 H 1 2.220 0.000 . . . . . . A 501 GLU HG3 . 34442 1 450 . 1 . 1 36 36 GLU C C 13 179.580 0.004 . . . . . . A 501 GLU C . 34442 1 451 . 1 . 1 36 36 GLU CA C 13 59.024 0.019 . . . . . . A 501 GLU CA . 34442 1 452 . 1 . 1 36 36 GLU CB C 13 29.159 0.011 . . . . . . A 501 GLU CB . 34442 1 453 . 1 . 1 36 36 GLU CG C 13 35.271 0.009 . . . . . . A 501 GLU CG . 34442 1 454 . 1 . 1 36 36 GLU N N 15 118.557 0.011 . . . . . . A 501 GLU N . 34442 1 455 . 1 . 1 37 37 GLU H H 1 7.582 0.002 . . . . . . A 502 GLU H . 34442 1 456 . 1 . 1 37 37 GLU HA H 1 4.028 0.000 . . . . . . A 502 GLU HA . 34442 1 457 . 1 . 1 37 37 GLU HB2 H 1 2.046 0.000 . . . . . . A 502 GLU HB2 . 34442 1 458 . 1 . 1 37 37 GLU HB3 H 1 2.145 0.000 . . . . . . A 502 GLU HB3 . 34442 1 459 . 1 . 1 37 37 GLU HG2 H 1 2.374 0.000 . . . . . . A 502 GLU HG2 . 34442 1 460 . 1 . 1 37 37 GLU HG3 H 1 2.374 0.000 . . . . . . A 502 GLU HG3 . 34442 1 461 . 1 . 1 37 37 GLU C C 13 180.077 0.004 . . . . . . A 502 GLU C . 34442 1 462 . 1 . 1 37 37 GLU CA C 13 59.438 0.006 . . . . . . A 502 GLU CA . 34442 1 463 . 1 . 1 37 37 GLU CB C 13 29.702 0.016 . . . . . . A 502 GLU CB . 34442 1 464 . 1 . 1 37 37 GLU CG C 13 36.596 0.013 . . . . . . A 502 GLU CG . 34442 1 465 . 1 . 1 37 37 GLU N N 15 118.551 0.009 . . . . . . A 502 GLU N . 34442 1 466 . 1 . 1 38 38 LEU H H 1 8.695 0.002 . . . . . . A 503 LEU H . 34442 1 467 . 1 . 1 38 38 LEU HA H 1 3.909 0.000 . . . . . . A 503 LEU HA . 34442 1 468 . 1 . 1 38 38 LEU HB2 H 1 1.745 0.000 . . . . . . A 503 LEU HB2 . 34442 1 469 . 1 . 1 38 38 LEU HB3 H 1 1.951 0.000 . . . . . . A 503 LEU HB3 . 34442 1 470 . 1 . 1 38 38 LEU HG H 1 1.609 0.000 . . . . . . A 503 LEU HG . 34442 1 471 . 1 . 1 38 38 LEU HD11 H 1 0.773 0.000 . . . . . . A 503 LEU HD11 . 34442 1 472 . 1 . 1 38 38 LEU HD12 H 1 0.773 0.000 . . . . . . A 503 LEU HD12 . 34442 1 473 . 1 . 1 38 38 LEU HD13 H 1 0.773 0.000 . . . . . . A 503 LEU HD13 . 34442 1 474 . 1 . 1 38 38 LEU HD21 H 1 0.869 0.000 . . . . . . A 503 LEU HD21 . 34442 1 475 . 1 . 1 38 38 LEU HD22 H 1 0.869 0.000 . . . . . . A 503 LEU HD22 . 34442 1 476 . 1 . 1 38 38 LEU HD23 H 1 0.869 0.000 . . . . . . A 503 LEU HD23 . 34442 1 477 . 1 . 1 38 38 LEU C C 13 178.240 0.002 . . . . . . A 503 LEU C . 34442 1 478 . 1 . 1 38 38 LEU CA C 13 58.310 0.058 . . . . . . A 503 LEU CA . 34442 1 479 . 1 . 1 38 38 LEU CB C 13 42.103 0.006 . . . . . . A 503 LEU CB . 34442 1 480 . 1 . 1 38 38 LEU CG C 13 27.195 0.000 . . . . . . A 503 LEU CG . 34442 1 481 . 1 . 1 38 38 LEU CD1 C 13 26.434 0.000 . . . . . . A 503 LEU CD1 . 34442 1 482 . 1 . 1 38 38 LEU CD2 C 13 25.054 0.078 . . . . . . A 503 LEU CD2 . 34442 1 483 . 1 . 1 38 38 LEU N N 15 122.885 0.004 . . . . . . A 503 LEU N . 34442 1 484 . 1 . 1 39 39 GLY H H 1 8.163 0.004 . . . . . . A 504 GLY H . 34442 1 485 . 1 . 1 39 39 GLY HA2 H 1 3.976 0.000 . . . . . . A 504 GLY HA2 . 34442 1 486 . 1 . 1 39 39 GLY HA3 H 1 3.815 0.000 . . . . . . A 504 GLY HA3 . 34442 1 487 . 1 . 1 39 39 GLY C C 13 174.174 0.003 . . . . . . A 504 GLY C . 34442 1 488 . 1 . 1 39 39 GLY CA C 13 46.997 0.004 . . . . . . A 504 GLY CA . 34442 1 489 . 1 . 1 39 39 GLY N N 15 102.275 0.016 . . . . . . A 504 GLY N . 34442 1 490 . 1 . 1 40 40 THR H H 1 7.505 0.002 . . . . . . A 505 THR H . 34442 1 491 . 1 . 1 40 40 THR HA H 1 4.446 0.008 . . . . . . A 505 THR HA . 34442 1 492 . 1 . 1 40 40 THR HB H 1 4.404 0.000 . . . . . . A 505 THR HB . 34442 1 493 . 1 . 1 40 40 THR HG21 H 1 1.264 0.000 . . . . . . A 505 THR HG21 . 34442 1 494 . 1 . 1 40 40 THR HG22 H 1 1.264 0.000 . . . . . . A 505 THR HG22 . 34442 1 495 . 1 . 1 40 40 THR HG23 H 1 1.264 0.000 . . . . . . A 505 THR HG23 . 34442 1 496 . 1 . 1 40 40 THR C C 13 175.127 0.000 . . . . . . A 505 THR C . 34442 1 497 . 1 . 1 40 40 THR CA C 13 61.577 0.010 . . . . . . A 505 THR CA . 34442 1 498 . 1 . 1 40 40 THR CB C 13 70.379 0.019 . . . . . . A 505 THR CB . 34442 1 499 . 1 . 1 40 40 THR CG2 C 13 21.604 0.000 . . . . . . A 505 THR CG2 . 34442 1 500 . 1 . 1 40 40 THR N N 15 108.929 0.003 . . . . . . A 505 THR N . 34442 1 501 . 1 . 1 41 41 LEU H H 1 7.312 0.001 . . . . . . A 506 LEU H . 34442 1 502 . 1 . 1 41 41 LEU HA H 1 4.197 0.007 . . . . . . A 506 LEU HA . 34442 1 503 . 1 . 1 41 41 LEU HB2 H 1 1.749 0.000 . . . . . . A 506 LEU HB2 . 34442 1 504 . 1 . 1 41 41 LEU HB3 H 1 1.519 0.000 . . . . . . A 506 LEU HB3 . 34442 1 505 . 1 . 1 41 41 LEU HG H 1 1.777 0.000 . . . . . . A 506 LEU HG . 34442 1 506 . 1 . 1 41 41 LEU HD11 H 1 0.927 0.001 . . . . . . A 506 LEU HD11 . 34442 1 507 . 1 . 1 41 41 LEU HD12 H 1 0.927 0.001 . . . . . . A 506 LEU HD12 . 34442 1 508 . 1 . 1 41 41 LEU HD13 H 1 0.927 0.001 . . . . . . A 506 LEU HD13 . 34442 1 509 . 1 . 1 41 41 LEU HD21 H 1 0.813 0.000 . . . . . . A 506 LEU HD21 . 34442 1 510 . 1 . 1 41 41 LEU HD22 H 1 0.813 0.000 . . . . . . A 506 LEU HD22 . 34442 1 511 . 1 . 1 41 41 LEU HD23 H 1 0.813 0.000 . . . . . . A 506 LEU HD23 . 34442 1 512 . 1 . 1 41 41 LEU C C 13 178.012 0.003 . . . . . . A 506 LEU C . 34442 1 513 . 1 . 1 41 41 LEU CA C 13 55.443 0.058 . . . . . . A 506 LEU CA . 34442 1 514 . 1 . 1 41 41 LEU CB C 13 43.111 0.007 . . . . . . A 506 LEU CB . 34442 1 515 . 1 . 1 41 41 LEU CG C 13 26.449 0.035 . . . . . . A 506 LEU CG . 34442 1 516 . 1 . 1 41 41 LEU CD1 C 13 25.184 0.006 . . . . . . A 506 LEU CD1 . 34442 1 517 . 1 . 1 41 41 LEU CD2 C 13 24.500 0.027 . . . . . . A 506 LEU CD2 . 34442 1 518 . 1 . 1 41 41 LEU N N 15 123.611 0.002 . . . . . . A 506 LEU N . 34442 1 519 . 1 . 1 42 42 GLN H H 1 8.934 0.001 . . . . . . A 507 GLN H . 34442 1 520 . 1 . 1 42 42 GLN HA H 1 4.373 0.003 . . . . . . A 507 GLN HA . 34442 1 521 . 1 . 1 42 42 GLN HB2 H 1 1.989 0.003 . . . . . . A 507 GLN HB2 . 34442 1 522 . 1 . 1 42 42 GLN HB3 H 1 2.117 0.000 . . . . . . A 507 GLN HB3 . 34442 1 523 . 1 . 1 42 42 GLN HG2 H 1 2.441 0.000 . . . . . . A 507 GLN HG2 . 34442 1 524 . 1 . 1 42 42 GLN HG3 H 1 2.380 0.000 . . . . . . A 507 GLN HG3 . 34442 1 525 . 1 . 1 42 42 GLN C C 13 175.037 0.001 . . . . . . A 507 GLN C . 34442 1 526 . 1 . 1 42 42 GLN CA C 13 55.182 0.006 . . . . . . A 507 GLN CA . 34442 1 527 . 1 . 1 42 42 GLN CB C 13 26.540 0.002 . . . . . . A 507 GLN CB . 34442 1 528 . 1 . 1 42 42 GLN CG C 13 33.651 0.016 . . . . . . A 507 GLN CG . 34442 1 529 . 1 . 1 42 42 GLN N N 15 126.563 0.012 . . . . . . A 507 GLN N . 34442 1 530 . 1 . 1 43 43 VAL H H 1 7.717 0.002 . . . . . . A 508 VAL H . 34442 1 531 . 1 . 1 43 43 VAL HA H 1 4.134 0.003 . . . . . . A 508 VAL HA . 34442 1 532 . 1 . 1 43 43 VAL HB H 1 1.939 0.003 . . . . . . A 508 VAL HB . 34442 1 533 . 1 . 1 43 43 VAL HG11 H 1 0.886 0.000 . . . . . . A 508 VAL HG11 . 34442 1 534 . 1 . 1 43 43 VAL HG12 H 1 0.886 0.000 . . . . . . A 508 VAL HG12 . 34442 1 535 . 1 . 1 43 43 VAL HG13 H 1 0.886 0.000 . . . . . . A 508 VAL HG13 . 34442 1 536 . 1 . 1 43 43 VAL HG21 H 1 0.876 0.000 . . . . . . A 508 VAL HG21 . 34442 1 537 . 1 . 1 43 43 VAL HG22 H 1 0.876 0.000 . . . . . . A 508 VAL HG22 . 34442 1 538 . 1 . 1 43 43 VAL HG23 H 1 0.876 0.000 . . . . . . A 508 VAL HG23 . 34442 1 539 . 1 . 1 43 43 VAL C C 13 174.015 0.002 . . . . . . A 508 VAL C . 34442 1 540 . 1 . 1 43 43 VAL CA C 13 61.280 0.005 . . . . . . A 508 VAL CA . 34442 1 541 . 1 . 1 43 43 VAL CB C 13 33.437 0.027 . . . . . . A 508 VAL CB . 34442 1 542 . 1 . 1 43 43 VAL CG1 C 13 22.186 0.001 . . . . . . A 508 VAL CG1 . 34442 1 543 . 1 . 1 43 43 VAL CG2 C 13 20.854 0.009 . . . . . . A 508 VAL CG2 . 34442 1 544 . 1 . 1 43 43 VAL N N 15 118.052 0.003 . . . . . . A 508 VAL N . 34442 1 545 . 1 . 1 44 44 THR H H 1 6.645 0.002 . . . . . . A 509 THR H . 34442 1 546 . 1 . 1 44 44 THR HA H 1 4.764 0.000 . . . . . . A 509 THR HA . 34442 1 547 . 1 . 1 44 44 THR HB H 1 4.708 0.000 . . . . . . A 509 THR HB . 34442 1 548 . 1 . 1 44 44 THR HG21 H 1 1.309 0.000 . . . . . . A 509 THR HG21 . 34442 1 549 . 1 . 1 44 44 THR HG22 H 1 1.309 0.000 . . . . . . A 509 THR HG22 . 34442 1 550 . 1 . 1 44 44 THR HG23 H 1 1.309 0.000 . . . . . . A 509 THR HG23 . 34442 1 551 . 1 . 1 44 44 THR C C 13 175.518 0.003 . . . . . . A 509 THR C . 34442 1 552 . 1 . 1 44 44 THR CA C 13 59.416 0.020 . . . . . . A 509 THR CA . 34442 1 553 . 1 . 1 44 44 THR CB C 13 71.919 0.019 . . . . . . A 509 THR CB . 34442 1 554 . 1 . 1 44 44 THR CG2 C 13 21.930 0.019 . . . . . . A 509 THR CG2 . 34442 1 555 . 1 . 1 44 44 THR N N 15 111.472 0.003 . . . . . . A 509 THR N . 34442 1 556 . 1 . 1 45 45 SER H H 1 9.229 0.003 . . . . . . A 510 SER H . 34442 1 557 . 1 . 1 45 45 SER HA H 1 4.118 0.000 . . . . . . A 510 SER HA . 34442 1 558 . 1 . 1 45 45 SER HB2 H 1 3.925 0.000 . . . . . . A 510 SER HB2 . 34442 1 559 . 1 . 1 45 45 SER HB3 H 1 3.925 0.000 . . . . . . A 510 SER HB3 . 34442 1 560 . 1 . 1 45 45 SER C C 13 176.968 0.000 . . . . . . A 510 SER C . 34442 1 561 . 1 . 1 45 45 SER CA C 13 61.706 0.032 . . . . . . A 510 SER CA . 34442 1 562 . 1 . 1 45 45 SER CB C 13 62.397 0.052 . . . . . . A 510 SER CB . 34442 1 563 . 1 . 1 45 45 SER N N 15 117.358 0.008 . . . . . . A 510 SER N . 34442 1 564 . 1 . 1 46 46 GLN H H 1 8.400 0.003 . . . . . . A 511 GLN H . 34442 1 565 . 1 . 1 46 46 GLN HA H 1 4.010 0.000 . . . . . . A 511 GLN HA . 34442 1 566 . 1 . 1 46 46 GLN HB2 H 1 2.106 0.000 . . . . . . A 511 GLN HB2 . 34442 1 567 . 1 . 1 46 46 GLN HB3 H 1 1.979 0.000 . . . . . . A 511 GLN HB3 . 34442 1 568 . 1 . 1 46 46 GLN HG2 H 1 2.451 0.000 . . . . . . A 511 GLN HG2 . 34442 1 569 . 1 . 1 46 46 GLN HG3 H 1 2.451 0.000 . . . . . . A 511 GLN HG3 . 34442 1 570 . 1 . 1 46 46 GLN C C 13 178.709 0.003 . . . . . . A 511 GLN C . 34442 1 571 . 1 . 1 46 46 GLN CA C 13 59.730 0.007 . . . . . . A 511 GLN CA . 34442 1 572 . 1 . 1 46 46 GLN CB C 13 28.063 0.007 . . . . . . A 511 GLN CB . 34442 1 573 . 1 . 1 46 46 GLN CG C 13 34.317 0.029 . . . . . . A 511 GLN CG . 34442 1 574 . 1 . 1 46 46 GLN N N 15 120.058 0.008 . . . . . . A 511 GLN N . 34442 1 575 . 1 . 1 47 47 ILE H H 1 7.453 0.002 . . . . . . A 512 ILE H . 34442 1 576 . 1 . 1 47 47 ILE HA H 1 3.717 0.000 . . . . . . A 512 ILE HA . 34442 1 577 . 1 . 1 47 47 ILE HB H 1 1.790 0.000 . . . . . . A 512 ILE HB . 34442 1 578 . 1 . 1 47 47 ILE HG12 H 1 1.140 0.000 . . . . . . A 512 ILE HG12 . 34442 1 579 . 1 . 1 47 47 ILE HG13 H 1 1.140 0.000 . . . . . . A 512 ILE HG13 . 34442 1 580 . 1 . 1 47 47 ILE HG21 H 1 0.810 0.000 . . . . . . A 512 ILE HG21 . 34442 1 581 . 1 . 1 47 47 ILE HG22 H 1 0.810 0.000 . . . . . . A 512 ILE HG22 . 34442 1 582 . 1 . 1 47 47 ILE HG23 H 1 0.810 0.000 . . . . . . A 512 ILE HG23 . 34442 1 583 . 1 . 1 47 47 ILE HD11 H 1 0.967 0.000 . . . . . . A 512 ILE HD11 . 34442 1 584 . 1 . 1 47 47 ILE HD12 H 1 0.967 0.000 . . . . . . A 512 ILE HD12 . 34442 1 585 . 1 . 1 47 47 ILE HD13 H 1 0.967 0.000 . . . . . . A 512 ILE HD13 . 34442 1 586 . 1 . 1 47 47 ILE C C 13 179.293 0.003 . . . . . . A 512 ILE C . 34442 1 587 . 1 . 1 47 47 ILE CA C 13 64.639 0.007 . . . . . . A 512 ILE CA . 34442 1 588 . 1 . 1 47 47 ILE CB C 13 38.409 0.013 . . . . . . A 512 ILE CB . 34442 1 589 . 1 . 1 47 47 ILE CG1 C 13 29.349 0.002 . . . . . . A 512 ILE CG1 . 34442 1 590 . 1 . 1 47 47 ILE CG2 C 13 18.038 0.020 . . . . . . A 512 ILE CG2 . 34442 1 591 . 1 . 1 47 47 ILE CD1 C 13 13.515 0.045 . . . . . . A 512 ILE CD1 . 34442 1 592 . 1 . 1 47 47 ILE N N 15 118.856 0.002 . . . . . . A 512 ILE N . 34442 1 593 . 1 . 1 48 48 LEU H H 1 8.224 0.001 . . . . . . A 513 LEU H . 34442 1 594 . 1 . 1 48 48 LEU HA H 1 3.843 0.000 . . . . . . A 513 LEU HA . 34442 1 595 . 1 . 1 48 48 LEU HB2 H 1 1.726 0.000 . . . . . . A 513 LEU HB2 . 34442 1 596 . 1 . 1 48 48 LEU HB3 H 1 1.533 0.000 . . . . . . A 513 LEU HB3 . 34442 1 597 . 1 . 1 48 48 LEU HG H 1 1.597 0.011 . . . . . . A 513 LEU HG . 34442 1 598 . 1 . 1 48 48 LEU HD11 H 1 1.518 0.003 . . . . . . A 513 LEU HD11 . 34442 1 599 . 1 . 1 48 48 LEU HD12 H 1 1.518 0.003 . . . . . . A 513 LEU HD12 . 34442 1 600 . 1 . 1 48 48 LEU HD13 H 1 1.518 0.003 . . . . . . A 513 LEU HD13 . 34442 1 601 . 1 . 1 48 48 LEU HD21 H 1 0.727 0.021 . . . . . . A 513 LEU HD21 . 34442 1 602 . 1 . 1 48 48 LEU HD22 H 1 0.727 0.021 . . . . . . A 513 LEU HD22 . 34442 1 603 . 1 . 1 48 48 LEU HD23 H 1 0.727 0.021 . . . . . . A 513 LEU HD23 . 34442 1 604 . 1 . 1 48 48 LEU C C 13 179.294 0.003 . . . . . . A 513 LEU C . 34442 1 605 . 1 . 1 48 48 LEU CA C 13 58.375 0.040 . . . . . . A 513 LEU CA . 34442 1 606 . 1 . 1 48 48 LEU CB C 13 41.034 0.028 . . . . . . A 513 LEU CB . 34442 1 607 . 1 . 1 48 48 LEU CG C 13 26.934 0.061 . . . . . . A 513 LEU CG . 34442 1 608 . 1 . 1 48 48 LEU CD1 C 13 26.477 0.000 . . . . . . A 513 LEU CD1 . 34442 1 609 . 1 . 1 48 48 LEU CD2 C 13 25.110 0.030 . . . . . . A 513 LEU CD2 . 34442 1 610 . 1 . 1 48 48 LEU N N 15 121.947 0.004 . . . . . . A 513 LEU N . 34442 1 611 . 1 . 1 49 49 GLN H H 1 8.177 0.003 . . . . . . A 514 GLN H . 34442 1 612 . 1 . 1 49 49 GLN HA H 1 4.001 0.000 . . . . . . A 514 GLN HA . 34442 1 613 . 1 . 1 49 49 GLN HB2 H 1 2.128 0.000 . . . . . . A 514 GLN HB2 . 34442 1 614 . 1 . 1 49 49 GLN HB3 H 1 2.128 0.000 . . . . . . A 514 GLN HB3 . 34442 1 615 . 1 . 1 49 49 GLN HG2 H 1 2.543 0.000 . . . . . . A 514 GLN HG2 . 34442 1 616 . 1 . 1 49 49 GLN HG3 H 1 2.446 0.000 . . . . . . A 514 GLN HG3 . 34442 1 617 . 1 . 1 49 49 GLN C C 13 177.479 0.002 . . . . . . A 514 GLN C . 34442 1 618 . 1 . 1 49 49 GLN CA C 13 58.380 0.004 . . . . . . A 514 GLN CA . 34442 1 619 . 1 . 1 49 49 GLN CB C 13 28.479 0.013 . . . . . . A 514 GLN CB . 34442 1 620 . 1 . 1 49 49 GLN CG C 13 34.220 0.004 . . . . . . A 514 GLN CG . 34442 1 621 . 1 . 1 49 49 GLN N N 15 117.102 0.025 . . . . . . A 514 GLN N . 34442 1 622 . 1 . 1 50 50 LYS H H 1 7.172 0.002 . . . . . . A 515 LYS H . 34442 1 623 . 1 . 1 50 50 LYS HA H 1 4.439 0.009 . . . . . . A 515 LYS HA . 34442 1 624 . 1 . 1 50 50 LYS HB2 H 1 2.002 0.000 . . . . . . A 515 LYS HB2 . 34442 1 625 . 1 . 1 50 50 LYS HB3 H 1 1.842 0.000 . . . . . . A 515 LYS HB3 . 34442 1 626 . 1 . 1 50 50 LYS HG2 H 1 1.602 0.012 . . . . . . A 515 LYS HG2 . 34442 1 627 . 1 . 1 50 50 LYS HG3 H 1 1.504 0.011 . . . . . . A 515 LYS HG3 . 34442 1 628 . 1 . 1 50 50 LYS HD2 H 1 1.711 0.000 . . . . . . A 515 LYS HD2 . 34442 1 629 . 1 . 1 50 50 LYS HD3 H 1 1.711 0.000 . . . . . . A 515 LYS HD3 . 34442 1 630 . 1 . 1 50 50 LYS HE2 H 1 2.984 0.004 . . . . . . A 515 LYS HE2 . 34442 1 631 . 1 . 1 50 50 LYS HE3 H 1 2.984 0.004 . . . . . . A 515 LYS HE3 . 34442 1 632 . 1 . 1 50 50 LYS C C 13 176.243 0.002 . . . . . . A 515 LYS C . 34442 1 633 . 1 . 1 50 50 LYS CA C 13 56.546 0.025 . . . . . . A 515 LYS CA . 34442 1 634 . 1 . 1 50 50 LYS CB C 13 33.390 0.013 . . . . . . A 515 LYS CB . 34442 1 635 . 1 . 1 50 50 LYS CG C 13 24.860 0.013 . . . . . . A 515 LYS CG . 34442 1 636 . 1 . 1 50 50 LYS CD C 13 29.274 0.003 . . . . . . A 515 LYS CD . 34442 1 637 . 1 . 1 50 50 LYS CE C 13 41.881 0.000 . . . . . . A 515 LYS CE . 34442 1 638 . 1 . 1 50 50 LYS N N 15 115.963 0.003 . . . . . . A 515 LYS N . 34442 1 639 . 1 . 1 51 51 ASN H H 1 7.732 0.001 . . . . . . A 516 ASN H . 34442 1 640 . 1 . 1 51 51 ASN HA H 1 5.180 0.000 . . . . . . A 516 ASN HA . 34442 1 641 . 1 . 1 51 51 ASN HB2 H 1 2.736 0.000 . . . . . . A 516 ASN HB2 . 34442 1 642 . 1 . 1 51 51 ASN HB3 H 1 2.357 0.000 . . . . . . A 516 ASN HB3 . 34442 1 643 . 1 . 1 51 51 ASN C C 13 175.044 0.000 . . . . . . A 516 ASN C . 34442 1 644 . 1 . 1 51 51 ASN CA C 13 52.981 0.007 . . . . . . A 516 ASN CA . 34442 1 645 . 1 . 1 51 51 ASN CB C 13 40.605 0.005 . . . . . . A 516 ASN CB . 34442 1 646 . 1 . 1 51 51 ASN N N 15 120.466 0.005 . . . . . . A 516 ASN N . 34442 1 647 . 1 . 1 52 52 THR H H 1 7.922 0.001 . . . . . . A 517 THR H . 34442 1 648 . 1 . 1 52 52 THR HA H 1 4.347 0.000 . . . . . . A 517 THR HA . 34442 1 649 . 1 . 1 52 52 THR HB H 1 3.956 0.000 . . . . . . A 517 THR HB . 34442 1 650 . 1 . 1 52 52 THR HG21 H 1 1.367 0.000 . . . . . . A 517 THR HG21 . 34442 1 651 . 1 . 1 52 52 THR HG22 H 1 1.367 0.000 . . . . . . A 517 THR HG22 . 34442 1 652 . 1 . 1 52 52 THR HG23 H 1 1.367 0.000 . . . . . . A 517 THR HG23 . 34442 1 653 . 1 . 1 52 52 THR C C 13 176.475 0.007 . . . . . . A 517 THR C . 34442 1 654 . 1 . 1 52 52 THR CA C 13 65.004 0.004 . . . . . . A 517 THR CA . 34442 1 655 . 1 . 1 52 52 THR CB C 13 68.749 0.019 . . . . . . A 517 THR CB . 34442 1 656 . 1 . 1 52 52 THR CG2 C 13 22.062 0.124 . . . . . . A 517 THR CG2 . 34442 1 657 . 1 . 1 52 52 THR N N 15 111.805 0.002 . . . . . . A 517 THR N . 34442 1 658 . 1 . 1 53 53 ASP H H 1 9.260 0.001 . . . . . . A 518 ASP H . 34442 1 659 . 1 . 1 53 53 ASP HA H 1 4.371 0.000 . . . . . . A 518 ASP HA . 34442 1 660 . 1 . 1 53 53 ASP HB2 H 1 2.824 0.000 . . . . . . A 518 ASP HB2 . 34442 1 661 . 1 . 1 53 53 ASP HB3 H 1 2.709 0.000 . . . . . . A 518 ASP HB3 . 34442 1 662 . 1 . 1 53 53 ASP C C 13 177.922 0.002 . . . . . . A 518 ASP C . 34442 1 663 . 1 . 1 53 53 ASP CA C 13 56.401 0.000 . . . . . . A 518 ASP CA . 34442 1 664 . 1 . 1 53 53 ASP CB C 13 38.996 0.010 . . . . . . A 518 ASP CB . 34442 1 665 . 1 . 1 53 53 ASP N N 15 122.773 0.006 . . . . . . A 518 ASP N . 34442 1 666 . 1 . 1 54 54 VAL H H 1 7.490 0.002 . . . . . . A 519 VAL H . 34442 1 667 . 1 . 1 54 54 VAL HA H 1 2.524 0.000 . . . . . . A 519 VAL HA . 34442 1 668 . 1 . 1 54 54 VAL HB H 1 1.855 0.000 . . . . . . A 519 VAL HB . 34442 1 669 . 1 . 1 54 54 VAL HG11 H 1 0.610 0.000 . . . . . . A 519 VAL HG11 . 34442 1 670 . 1 . 1 54 54 VAL HG12 H 1 0.610 0.000 . . . . . . A 519 VAL HG12 . 34442 1 671 . 1 . 1 54 54 VAL HG13 H 1 0.610 0.000 . . . . . . A 519 VAL HG13 . 34442 1 672 . 1 . 1 54 54 VAL HG21 H 1 0.660 0.000 . . . . . . A 519 VAL HG21 . 34442 1 673 . 1 . 1 54 54 VAL HG22 H 1 0.660 0.000 . . . . . . A 519 VAL HG22 . 34442 1 674 . 1 . 1 54 54 VAL HG23 H 1 0.660 0.000 . . . . . . A 519 VAL HG23 . 34442 1 675 . 1 . 1 54 54 VAL C C 13 177.300 0.005 . . . . . . A 519 VAL C . 34442 1 676 . 1 . 1 54 54 VAL CA C 13 65.262 0.006 . . . . . . A 519 VAL CA . 34442 1 677 . 1 . 1 54 54 VAL CB C 13 31.175 0.023 . . . . . . A 519 VAL CB . 34442 1 678 . 1 . 1 54 54 VAL CG1 C 13 21.550 0.021 . . . . . . A 519 VAL CG1 . 34442 1 679 . 1 . 1 54 54 VAL CG2 C 13 19.904 0.024 . . . . . . A 519 VAL CG2 . 34442 1 680 . 1 . 1 54 54 VAL N N 15 120.804 0.004 . . . . . . A 519 VAL N . 34442 1 681 . 1 . 1 55 55 VAL H H 1 6.900 0.002 . . . . . . A 520 VAL H . 34442 1 682 . 1 . 1 55 55 VAL HA H 1 3.423 0.000 . . . . . . A 520 VAL HA . 34442 1 683 . 1 . 1 55 55 VAL HB H 1 2.212 0.000 . . . . . . A 520 VAL HB . 34442 1 684 . 1 . 1 55 55 VAL HG11 H 1 0.973 0.000 . . . . . . A 520 VAL HG11 . 34442 1 685 . 1 . 1 55 55 VAL HG12 H 1 0.973 0.000 . . . . . . A 520 VAL HG12 . 34442 1 686 . 1 . 1 55 55 VAL HG13 H 1 0.973 0.000 . . . . . . A 520 VAL HG13 . 34442 1 687 . 1 . 1 55 55 VAL HG21 H 1 1.037 0.000 . . . . . . A 520 VAL HG21 . 34442 1 688 . 1 . 1 55 55 VAL HG22 H 1 1.037 0.000 . . . . . . A 520 VAL HG22 . 34442 1 689 . 1 . 1 55 55 VAL HG23 H 1 1.037 0.000 . . . . . . A 520 VAL HG23 . 34442 1 690 . 1 . 1 55 55 VAL C C 13 177.144 0.002 . . . . . . A 520 VAL C . 34442 1 691 . 1 . 1 55 55 VAL CA C 13 66.867 0.004 . . . . . . A 520 VAL CA . 34442 1 692 . 1 . 1 55 55 VAL CB C 13 31.511 0.037 . . . . . . A 520 VAL CB . 34442 1 693 . 1 . 1 55 55 VAL CG1 C 13 22.841 0.001 . . . . . . A 520 VAL CG1 . 34442 1 694 . 1 . 1 55 55 VAL CG2 C 13 22.147 0.002 . . . . . . A 520 VAL CG2 . 34442 1 695 . 1 . 1 55 55 VAL N N 15 118.356 0.003 . . . . . . A 520 VAL N . 34442 1 696 . 1 . 1 56 56 ALA H H 1 7.769 0.002 . . . . . . A 521 ALA H . 34442 1 697 . 1 . 1 56 56 ALA HA H 1 4.119 0.000 . . . . . . A 521 ALA HA . 34442 1 698 . 1 . 1 56 56 ALA HB1 H 1 1.545 0.000 . . . . . . A 521 ALA HB1 . 34442 1 699 . 1 . 1 56 56 ALA HB2 H 1 1.545 0.000 . . . . . . A 521 ALA HB2 . 34442 1 700 . 1 . 1 56 56 ALA HB3 H 1 1.545 0.000 . . . . . . A 521 ALA HB3 . 34442 1 701 . 1 . 1 56 56 ALA C C 13 181.327 0.006 . . . . . . A 521 ALA C . 34442 1 702 . 1 . 1 56 56 ALA CA C 13 55.452 0.007 . . . . . . A 521 ALA CA . 34442 1 703 . 1 . 1 56 56 ALA CB C 13 17.889 0.000 . . . . . . A 521 ALA CB . 34442 1 704 . 1 . 1 56 56 ALA N N 15 121.968 0.005 . . . . . . A 521 ALA N . 34442 1 705 . 1 . 1 57 57 THR H H 1 8.264 0.001 . . . . . . A 522 THR H . 34442 1 706 . 1 . 1 57 57 THR HA H 1 4.422 0.003 . . . . . . A 522 THR HA . 34442 1 707 . 1 . 1 57 57 THR HB H 1 3.915 0.000 . . . . . . A 522 THR HB . 34442 1 708 . 1 . 1 57 57 THR HG21 H 1 1.190 0.001 . . . . . . A 522 THR HG21 . 34442 1 709 . 1 . 1 57 57 THR HG22 H 1 1.190 0.001 . . . . . . A 522 THR HG22 . 34442 1 710 . 1 . 1 57 57 THR HG23 H 1 1.190 0.001 . . . . . . A 522 THR HG23 . 34442 1 711 . 1 . 1 57 57 THR C C 13 176.304 0.000 . . . . . . A 522 THR C . 34442 1 712 . 1 . 1 57 57 THR CA C 13 66.905 0.063 . . . . . . A 522 THR CA . 34442 1 713 . 1 . 1 57 57 THR CB C 13 66.584 0.000 . . . . . . A 522 THR CB . 34442 1 714 . 1 . 1 57 57 THR CG2 C 13 23.176 0.000 . . . . . . A 522 THR CG2 . 34442 1 715 . 1 . 1 57 57 THR N N 15 118.475 0.011 . . . . . . A 522 THR N . 34442 1 716 . 1 . 1 58 58 LEU H H 1 8.023 0.001 . . . . . . A 523 LEU H . 34442 1 717 . 1 . 1 58 58 LEU HA H 1 3.883 0.009 . . . . . . A 523 LEU HA . 34442 1 718 . 1 . 1 58 58 LEU HB2 H 1 2.109 0.000 . . . . . . A 523 LEU HB2 . 34442 1 719 . 1 . 1 58 58 LEU HB3 H 1 1.454 0.000 . . . . . . A 523 LEU HB3 . 34442 1 720 . 1 . 1 58 58 LEU HG H 1 1.881 0.000 . . . . . . A 523 LEU HG . 34442 1 721 . 1 . 1 58 58 LEU HD11 H 1 0.787 0.038 . . . . . . A 523 LEU HD11 . 34442 1 722 . 1 . 1 58 58 LEU HD12 H 1 0.787 0.038 . . . . . . A 523 LEU HD12 . 34442 1 723 . 1 . 1 58 58 LEU HD13 H 1 0.787 0.038 . . . . . . A 523 LEU HD13 . 34442 1 724 . 1 . 1 58 58 LEU HD21 H 1 0.769 0.000 . . . . . . A 523 LEU HD21 . 34442 1 725 . 1 . 1 58 58 LEU HD22 H 1 0.769 0.000 . . . . . . A 523 LEU HD22 . 34442 1 726 . 1 . 1 58 58 LEU HD23 H 1 0.769 0.000 . . . . . . A 523 LEU HD23 . 34442 1 727 . 1 . 1 58 58 LEU C C 13 178.098 0.005 . . . . . . A 523 LEU C . 34442 1 728 . 1 . 1 58 58 LEU CA C 13 58.184 0.011 . . . . . . A 523 LEU CA . 34442 1 729 . 1 . 1 58 58 LEU CB C 13 42.085 0.003 . . . . . . A 523 LEU CB . 34442 1 730 . 1 . 1 58 58 LEU CG C 13 26.953 0.019 . . . . . . A 523 LEU CG . 34442 1 731 . 1 . 1 58 58 LEU CD1 C 13 26.404 0.008 . . . . . . A 523 LEU CD1 . 34442 1 732 . 1 . 1 58 58 LEU CD2 C 13 22.915 0.014 . . . . . . A 523 LEU CD2 . 34442 1 733 . 1 . 1 58 58 LEU N N 15 120.823 0.002 . . . . . . A 523 LEU N . 34442 1 734 . 1 . 1 59 59 LYS H H 1 8.360 0.002 . . . . . . A 524 LYS H . 34442 1 735 . 1 . 1 59 59 LYS HA H 1 3.258 0.013 . . . . . . A 524 LYS HA . 34442 1 736 . 1 . 1 59 59 LYS HB2 H 1 1.829 0.000 . . . . . . A 524 LYS HB2 . 34442 1 737 . 1 . 1 59 59 LYS HB3 H 1 1.829 0.000 . . . . . . A 524 LYS HB3 . 34442 1 738 . 1 . 1 59 59 LYS HG2 H 1 1.241 0.000 . . . . . . A 524 LYS HG2 . 34442 1 739 . 1 . 1 59 59 LYS HG3 H 1 1.035 0.000 . . . . . . A 524 LYS HG3 . 34442 1 740 . 1 . 1 59 59 LYS HD2 H 1 1.642 0.000 . . . . . . A 524 LYS HD2 . 34442 1 741 . 1 . 1 59 59 LYS HD3 H 1 1.589 0.000 . . . . . . A 524 LYS HD3 . 34442 1 742 . 1 . 1 59 59 LYS HE2 H 1 2.837 0.001 . . . . . . A 524 LYS HE2 . 34442 1 743 . 1 . 1 59 59 LYS HE3 H 1 2.837 0.001 . . . . . . A 524 LYS HE3 . 34442 1 744 . 1 . 1 59 59 LYS C C 13 179.060 0.004 . . . . . . A 524 LYS C . 34442 1 745 . 1 . 1 59 59 LYS CA C 13 59.963 0.021 . . . . . . A 524 LYS CA . 34442 1 746 . 1 . 1 59 59 LYS CB C 13 32.668 0.009 . . . . . . A 524 LYS CB . 34442 1 747 . 1 . 1 59 59 LYS CG C 13 26.211 0.001 . . . . . . A 524 LYS CG . 34442 1 748 . 1 . 1 59 59 LYS CD C 13 29.767 0.005 . . . . . . A 524 LYS CD . 34442 1 749 . 1 . 1 59 59 LYS CE C 13 42.200 0.000 . . . . . . A 524 LYS CE . 34442 1 750 . 1 . 1 59 59 LYS N N 15 117.511 0.012 . . . . . . A 524 LYS N . 34442 1 751 . 1 . 1 60 60 LYS H H 1 7.590 0.002 . . . . . . A 525 LYS H . 34442 1 752 . 1 . 1 60 60 LYS HA H 1 4.112 0.006 . . . . . . A 525 LYS HA . 34442 1 753 . 1 . 1 60 60 LYS HB2 H 1 2.010 0.007 . . . . . . A 525 LYS HB2 . 34442 1 754 . 1 . 1 60 60 LYS HB3 H 1 2.010 0.007 . . . . . . A 525 LYS HB3 . 34442 1 755 . 1 . 1 60 60 LYS HG2 H 1 1.418 0.000 . . . . . . A 525 LYS HG2 . 34442 1 756 . 1 . 1 60 60 LYS HG3 H 1 1.602 0.000 . . . . . . A 525 LYS HG3 . 34442 1 757 . 1 . 1 60 60 LYS HD2 H 1 1.696 0.000 . . . . . . A 525 LYS HD2 . 34442 1 758 . 1 . 1 60 60 LYS HD3 H 1 1.696 0.000 . . . . . . A 525 LYS HD3 . 34442 1 759 . 1 . 1 60 60 LYS HE2 H 1 2.955 0.004 . . . . . . A 525 LYS HE2 . 34442 1 760 . 1 . 1 60 60 LYS HE3 H 1 2.955 0.004 . . . . . . A 525 LYS HE3 . 34442 1 761 . 1 . 1 60 60 LYS C C 13 180.309 0.004 . . . . . . A 525 LYS C . 34442 1 762 . 1 . 1 60 60 LYS CA C 13 59.245 0.019 . . . . . . A 525 LYS CA . 34442 1 763 . 1 . 1 60 60 LYS CB C 13 32.724 0.011 . . . . . . A 525 LYS CB . 34442 1 764 . 1 . 1 60 60 LYS CG C 13 25.248 0.014 . . . . . . A 525 LYS CG . 34442 1 765 . 1 . 1 60 60 LYS CD C 13 29.603 0.011 . . . . . . A 525 LYS CD . 34442 1 766 . 1 . 1 60 60 LYS CE C 13 42.183 0.002 . . . . . . A 525 LYS CE . 34442 1 767 . 1 . 1 60 60 LYS N N 15 118.414 0.023 . . . . . . A 525 LYS N . 34442 1 768 . 1 . 1 61 61 ILE H H 1 8.227 0.003 . . . . . . A 526 ILE H . 34442 1 769 . 1 . 1 61 61 ILE HA H 1 3.976 0.000 . . . . . . A 526 ILE HA . 34442 1 770 . 1 . 1 61 61 ILE HB H 1 1.788 0.000 . . . . . . A 526 ILE HB . 34442 1 771 . 1 . 1 61 61 ILE HG12 H 1 1.286 0.000 . . . . . . A 526 ILE HG12 . 34442 1 772 . 1 . 1 61 61 ILE HG13 H 1 1.507 0.000 . . . . . . A 526 ILE HG13 . 34442 1 773 . 1 . 1 61 61 ILE HG21 H 1 0.810 0.000 . . . . . . A 526 ILE HG21 . 34442 1 774 . 1 . 1 61 61 ILE HG22 H 1 0.810 0.000 . . . . . . A 526 ILE HG22 . 34442 1 775 . 1 . 1 61 61 ILE HG23 H 1 0.810 0.000 . . . . . . A 526 ILE HG23 . 34442 1 776 . 1 . 1 61 61 ILE HD11 H 1 0.620 0.000 . . . . . . A 526 ILE HD11 . 34442 1 777 . 1 . 1 61 61 ILE HD12 H 1 0.620 0.000 . . . . . . A 526 ILE HD12 . 34442 1 778 . 1 . 1 61 61 ILE HD13 H 1 0.620 0.000 . . . . . . A 526 ILE HD13 . 34442 1 779 . 1 . 1 61 61 ILE C C 13 176.875 0.002 . . . . . . A 526 ILE C . 34442 1 780 . 1 . 1 61 61 ILE CA C 13 64.367 0.007 . . . . . . A 526 ILE CA . 34442 1 781 . 1 . 1 61 61 ILE CB C 13 37.227 0.018 . . . . . . A 526 ILE CB . 34442 1 782 . 1 . 1 61 61 ILE CG1 C 13 27.519 0.001 . . . . . . A 526 ILE CG1 . 34442 1 783 . 1 . 1 61 61 ILE CG2 C 13 18.534 0.182 . . . . . . A 526 ILE CG2 . 34442 1 784 . 1 . 1 61 61 ILE CD1 C 13 14.609 0.047 . . . . . . A 526 ILE CD1 . 34442 1 785 . 1 . 1 61 61 ILE N N 15 117.515 0.005 . . . . . . A 526 ILE N . 34442 1 786 . 1 . 1 62 62 ARG H H 1 7.573 0.004 . . . . . . A 527 ARG H . 34442 1 787 . 1 . 1 62 62 ARG HA H 1 4.360 0.000 . . . . . . A 527 ARG HA . 34442 1 788 . 1 . 1 62 62 ARG HB2 H 1 1.758 0.000 . . . . . . A 527 ARG HB2 . 34442 1 789 . 1 . 1 62 62 ARG HB3 H 1 1.897 0.000 . . . . . . A 527 ARG HB3 . 34442 1 790 . 1 . 1 62 62 ARG HG2 H 1 1.779 0.000 . . . . . . A 527 ARG HG2 . 34442 1 791 . 1 . 1 62 62 ARG HG3 H 1 1.586 0.000 . . . . . . A 527 ARG HG3 . 34442 1 792 . 1 . 1 62 62 ARG HD2 H 1 3.006 0.000 . . . . . . A 527 ARG HD2 . 34442 1 793 . 1 . 1 62 62 ARG HD3 H 1 2.816 0.000 . . . . . . A 527 ARG HD3 . 34442 1 794 . 1 . 1 62 62 ARG C C 13 175.741 0.000 . . . . . . A 527 ARG C . 34442 1 795 . 1 . 1 62 62 ARG CA C 13 58.554 0.010 . . . . . . A 527 ARG CA . 34442 1 796 . 1 . 1 62 62 ARG CB C 13 29.599 0.087 . . . . . . A 527 ARG CB . 34442 1 797 . 1 . 1 62 62 ARG CG C 13 26.502 0.004 . . . . . . A 527 ARG CG . 34442 1 798 . 1 . 1 62 62 ARG CD C 13 43.986 0.013 . . . . . . A 527 ARG CD . 34442 1 799 . 1 . 1 62 62 ARG N N 15 118.443 0.021 . . . . . . A 527 ARG N . 34442 1 800 . 1 . 1 63 63 ARG H H 1 7.362 0.002 . . . . . . A 528 ARG H . 34442 1 801 . 1 . 1 63 63 ARG HA H 1 4.516 0.003 . . . . . . A 528 ARG HA . 34442 1 802 . 1 . 1 63 63 ARG HB2 H 1 2.136 0.000 . . . . . . A 528 ARG HB2 . 34442 1 803 . 1 . 1 63 63 ARG HB3 H 1 1.770 0.000 . . . . . . A 528 ARG HB3 . 34442 1 804 . 1 . 1 63 63 ARG HG2 H 1 1.657 0.000 . . . . . . A 528 ARG HG2 . 34442 1 805 . 1 . 1 63 63 ARG HG3 H 1 1.539 0.000 . . . . . . A 528 ARG HG3 . 34442 1 806 . 1 . 1 63 63 ARG HD2 H 1 3.202 0.000 . . . . . . A 528 ARG HD2 . 34442 1 807 . 1 . 1 63 63 ARG HD3 H 1 3.202 0.000 . . . . . . A 528 ARG HD3 . 34442 1 808 . 1 . 1 63 63 ARG C C 13 176.009 0.000 . . . . . . A 528 ARG C . 34442 1 809 . 1 . 1 63 63 ARG CA C 13 54.541 0.003 . . . . . . A 528 ARG CA . 34442 1 810 . 1 . 1 63 63 ARG CB C 13 29.682 0.014 . . . . . . A 528 ARG CB . 34442 1 811 . 1 . 1 63 63 ARG CG C 13 27.121 0.027 . . . . . . A 528 ARG CG . 34442 1 812 . 1 . 1 63 63 ARG CD C 13 43.312 0.001 . . . . . . A 528 ARG CD . 34442 1 813 . 1 . 1 63 63 ARG N N 15 115.235 0.005 . . . . . . A 528 ARG N . 34442 1 814 . 1 . 1 64 64 TYR H H 1 7.508 0.001 . . . . . . A 529 TYR H . 34442 1 815 . 1 . 1 64 64 TYR HA H 1 4.551 0.000 . . . . . . A 529 TYR HA . 34442 1 816 . 1 . 1 64 64 TYR HB2 H 1 3.015 0.000 . . . . . . A 529 TYR HB2 . 34442 1 817 . 1 . 1 64 64 TYR HB3 H 1 3.214 0.003 . . . . . . A 529 TYR HB3 . 34442 1 818 . 1 . 1 64 64 TYR HD1 H 1 7.269 0.002 . . . . . . A 529 TYR HD1 . 34442 1 819 . 1 . 1 64 64 TYR HD2 H 1 7.269 0.002 . . . . . . A 529 TYR HD2 . 34442 1 820 . 1 . 1 64 64 TYR HE1 H 1 6.707 0.000 . . . . . . A 529 TYR HE1 . 34442 1 821 . 1 . 1 64 64 TYR HE2 H 1 6.707 0.000 . . . . . . A 529 TYR HE2 . 34442 1 822 . 1 . 1 64 64 TYR C C 13 173.733 0.002 . . . . . . A 529 TYR C . 34442 1 823 . 1 . 1 64 64 TYR CA C 13 58.286 0.011 . . . . . . A 529 TYR CA . 34442 1 824 . 1 . 1 64 64 TYR CB C 13 38.072 0.006 . . . . . . A 529 TYR CB . 34442 1 825 . 1 . 1 64 64 TYR CD1 C 13 133.658 0.000 . . . . . . A 529 TYR CD1 . 34442 1 826 . 1 . 1 64 64 TYR CE1 C 13 118.078 0.000 . . . . . . A 529 TYR CE1 . 34442 1 827 . 1 . 1 64 64 TYR N N 15 122.981 0.004 . . . . . . A 529 TYR N . 34442 1 828 . 1 . 1 65 65 LYS H H 1 7.735 0.001 . . . . . . A 530 LYS H . 34442 1 829 . 1 . 1 65 65 LYS HA H 1 4.051 0.006 . . . . . . A 530 LYS HA . 34442 1 830 . 1 . 1 65 65 LYS HB2 H 1 1.721 0.000 . . . . . . A 530 LYS HB2 . 34442 1 831 . 1 . 1 65 65 LYS HB3 H 1 1.682 0.000 . . . . . . A 530 LYS HB3 . 34442 1 832 . 1 . 1 65 65 LYS HG2 H 1 1.412 0.000 . . . . . . A 530 LYS HG2 . 34442 1 833 . 1 . 1 65 65 LYS HG3 H 1 1.412 0.000 . . . . . . A 530 LYS HG3 . 34442 1 834 . 1 . 1 65 65 LYS HD2 H 1 1.631 0.000 . . . . . . A 530 LYS HD2 . 34442 1 835 . 1 . 1 65 65 LYS HD3 H 1 1.631 0.000 . . . . . . A 530 LYS HD3 . 34442 1 836 . 1 . 1 65 65 LYS HE2 H 1 2.964 0.003 . . . . . . A 530 LYS HE2 . 34442 1 837 . 1 . 1 65 65 LYS HE3 H 1 2.964 0.003 . . . . . . A 530 LYS HE3 . 34442 1 838 . 1 . 1 65 65 LYS C C 13 177.103 0.003 . . . . . . A 530 LYS C . 34442 1 839 . 1 . 1 65 65 LYS CA C 13 57.926 0.063 . . . . . . A 530 LYS CA . 34442 1 840 . 1 . 1 65 65 LYS CB C 13 32.486 0.010 . . . . . . A 530 LYS CB . 34442 1 841 . 1 . 1 65 65 LYS CG C 13 24.809 0.000 . . . . . . A 530 LYS CG . 34442 1 842 . 1 . 1 65 65 LYS CD C 13 29.149 0.016 . . . . . . A 530 LYS CD . 34442 1 843 . 1 . 1 65 65 LYS CE C 13 42.078 0.000 . . . . . . A 530 LYS CE . 34442 1 844 . 1 . 1 65 65 LYS N N 15 124.567 0.003 . . . . . . A 530 LYS N . 34442 1 845 . 1 . 1 66 66 ALA H H 1 7.136 0.001 . . . . . . A 531 ALA H . 34442 1 846 . 1 . 1 66 66 ALA HA H 1 4.050 0.000 . . . . . . A 531 ALA HA . 34442 1 847 . 1 . 1 66 66 ALA HB1 H 1 1.060 0.000 . . . . . . A 531 ALA HB1 . 34442 1 848 . 1 . 1 66 66 ALA HB2 H 1 1.060 0.000 . . . . . . A 531 ALA HB2 . 34442 1 849 . 1 . 1 66 66 ALA HB3 H 1 1.060 0.000 . . . . . . A 531 ALA HB3 . 34442 1 850 . 1 . 1 66 66 ALA C C 13 177.302 0.002 . . . . . . A 531 ALA C . 34442 1 851 . 1 . 1 66 66 ALA CA C 13 53.297 0.007 . . . . . . A 531 ALA CA . 34442 1 852 . 1 . 1 66 66 ALA CB C 13 18.617 0.012 . . . . . . A 531 ALA CB . 34442 1 853 . 1 . 1 66 66 ALA N N 15 118.757 0.004 . . . . . . A 531 ALA N . 34442 1 854 . 1 . 1 67 67 ASN H H 1 7.496 0.001 . . . . . . A 532 ASN H . 34442 1 855 . 1 . 1 67 67 ASN HA H 1 4.866 0.000 . . . . . . A 532 ASN HA . 34442 1 856 . 1 . 1 67 67 ASN HB2 H 1 2.856 0.000 . . . . . . A 532 ASN HB2 . 34442 1 857 . 1 . 1 67 67 ASN HB3 H 1 2.749 0.000 . . . . . . A 532 ASN HB3 . 34442 1 858 . 1 . 1 67 67 ASN C C 13 173.414 0.003 . . . . . . A 532 ASN C . 34442 1 859 . 1 . 1 67 67 ASN CA C 13 54.662 0.007 . . . . . . A 532 ASN CA . 34442 1 860 . 1 . 1 67 67 ASN CB C 13 41.487 0.006 . . . . . . A 532 ASN CB . 34442 1 861 . 1 . 1 67 67 ASN N N 15 114.906 0.003 . . . . . . A 532 ASN N . 34442 1 862 . 1 . 1 68 68 LYS H H 1 8.903 0.001 . . . . . . A 533 LYS H . 34442 1 863 . 1 . 1 68 68 LYS HA H 1 4.075 0.007 . . . . . . A 533 LYS HA . 34442 1 864 . 1 . 1 68 68 LYS HB2 H 1 1.895 0.000 . . . . . . A 533 LYS HB2 . 34442 1 865 . 1 . 1 68 68 LYS HB3 H 1 1.836 0.000 . . . . . . A 533 LYS HB3 . 34442 1 866 . 1 . 1 68 68 LYS HG2 H 1 1.461 0.000 . . . . . . A 533 LYS HG2 . 34442 1 867 . 1 . 1 68 68 LYS HG3 H 1 1.461 0.000 . . . . . . A 533 LYS HG3 . 34442 1 868 . 1 . 1 68 68 LYS HD2 H 1 1.670 0.000 . . . . . . A 533 LYS HD2 . 34442 1 869 . 1 . 1 68 68 LYS HD3 H 1 1.670 0.000 . . . . . . A 533 LYS HD3 . 34442 1 870 . 1 . 1 68 68 LYS HE2 H 1 2.987 0.005 . . . . . . A 533 LYS HE2 . 34442 1 871 . 1 . 1 68 68 LYS HE3 H 1 2.987 0.005 . . . . . . A 533 LYS HE3 . 34442 1 872 . 1 . 1 68 68 LYS C C 13 177.196 0.001 . . . . . . A 533 LYS C . 34442 1 873 . 1 . 1 68 68 LYS CA C 13 59.477 0.032 . . . . . . A 533 LYS CA . 34442 1 874 . 1 . 1 68 68 LYS CB C 13 32.720 0.009 . . . . . . A 533 LYS CB . 34442 1 875 . 1 . 1 68 68 LYS CG C 13 24.599 0.000 . . . . . . A 533 LYS CG . 34442 1 876 . 1 . 1 68 68 LYS CD C 13 29.415 0.000 . . . . . . A 533 LYS CD . 34442 1 877 . 1 . 1 68 68 LYS CE C 13 42.055 0.018 . . . . . . A 533 LYS CE . 34442 1 878 . 1 . 1 68 68 LYS N N 15 126.967 3.971 . . . . . . A 533 LYS N . 34442 1 879 . 1 . 1 69 69 ASP H H 1 7.897 0.001 . . . . . . A 534 ASP H . 34442 1 880 . 1 . 1 69 69 ASP HA H 1 4.470 0.000 . . . . . . A 534 ASP HA . 34442 1 881 . 1 . 1 69 69 ASP HB2 H 1 3.041 0.000 . . . . . . A 534 ASP HB2 . 34442 1 882 . 1 . 1 69 69 ASP HB3 H 1 2.606 0.000 . . . . . . A 534 ASP HB3 . 34442 1 883 . 1 . 1 69 69 ASP C C 13 179.586 0.002 . . . . . . A 534 ASP C . 34442 1 884 . 1 . 1 69 69 ASP CA C 13 57.849 0.008 . . . . . . A 534 ASP CA . 34442 1 885 . 1 . 1 69 69 ASP CB C 13 39.837 0.004 . . . . . . A 534 ASP CB . 34442 1 886 . 1 . 1 69 69 ASP N N 15 119.238 0.014 . . . . . . A 534 ASP N . 34442 1 887 . 1 . 1 70 70 VAL H H 1 8.554 0.002 . . . . . . A 535 VAL H . 34442 1 888 . 1 . 1 70 70 VAL HA H 1 3.423 0.000 . . . . . . A 535 VAL HA . 34442 1 889 . 1 . 1 70 70 VAL HB H 1 2.369 0.000 . . . . . . A 535 VAL HB . 34442 1 890 . 1 . 1 70 70 VAL HG11 H 1 0.972 0.000 . . . . . . A 535 VAL HG11 . 34442 1 891 . 1 . 1 70 70 VAL HG12 H 1 0.972 0.000 . . . . . . A 535 VAL HG12 . 34442 1 892 . 1 . 1 70 70 VAL HG13 H 1 0.972 0.000 . . . . . . A 535 VAL HG13 . 34442 1 893 . 1 . 1 70 70 VAL HG21 H 1 0.801 0.000 . . . . . . A 535 VAL HG21 . 34442 1 894 . 1 . 1 70 70 VAL HG22 H 1 0.801 0.000 . . . . . . A 535 VAL HG22 . 34442 1 895 . 1 . 1 70 70 VAL HG23 H 1 0.801 0.000 . . . . . . A 535 VAL HG23 . 34442 1 896 . 1 . 1 70 70 VAL C C 13 176.665 0.003 . . . . . . A 535 VAL C . 34442 1 897 . 1 . 1 70 70 VAL CA C 13 66.922 0.001 . . . . . . A 535 VAL CA . 34442 1 898 . 1 . 1 70 70 VAL CB C 13 32.120 0.024 . . . . . . A 535 VAL CB . 34442 1 899 . 1 . 1 70 70 VAL CG1 C 13 23.499 0.005 . . . . . . A 535 VAL CG1 . 34442 1 900 . 1 . 1 70 70 VAL CG2 C 13 21.794 0.004 . . . . . . A 535 VAL CG2 . 34442 1 901 . 1 . 1 70 70 VAL N N 15 121.166 0.003 . . . . . . A 535 VAL N . 34442 1 902 . 1 . 1 71 71 MET H H 1 7.809 0.002 . . . . . . A 536 MET H . 34442 1 903 . 1 . 1 71 71 MET HA H 1 4.203 0.000 . . . . . . A 536 MET HA . 34442 1 904 . 1 . 1 71 71 MET HB2 H 1 2.196 0.000 . . . . . . A 536 MET HB2 . 34442 1 905 . 1 . 1 71 71 MET HB3 H 1 2.436 0.000 . . . . . . A 536 MET HB3 . 34442 1 906 . 1 . 1 71 71 MET HG2 H 1 2.378 0.000 . . . . . . A 536 MET HG2 . 34442 1 907 . 1 . 1 71 71 MET HG3 H 1 2.378 0.000 . . . . . . A 536 MET HG3 . 34442 1 908 . 1 . 1 71 71 MET HE1 H 1 2.100 0.000 . . . . . . A 536 MET HE1 . 34442 1 909 . 1 . 1 71 71 MET HE2 H 1 2.100 0.000 . . . . . . A 536 MET HE2 . 34442 1 910 . 1 . 1 71 71 MET HE3 H 1 2.100 0.000 . . . . . . A 536 MET HE3 . 34442 1 911 . 1 . 1 71 71 MET C C 13 179.074 0.004 . . . . . . A 536 MET C . 34442 1 912 . 1 . 1 71 71 MET CA C 13 60.203 0.007 . . . . . . A 536 MET CA . 34442 1 913 . 1 . 1 71 71 MET CB C 13 33.579 0.016 . . . . . . A 536 MET CB . 34442 1 914 . 1 . 1 71 71 MET CG C 13 32.127 0.030 . . . . . . A 536 MET CG . 34442 1 915 . 1 . 1 71 71 MET CE C 13 17.027 0.000 . . . . . . A 536 MET CE . 34442 1 916 . 1 . 1 71 71 MET N N 15 117.977 0.005 . . . . . . A 536 MET N . 34442 1 917 . 1 . 1 72 72 GLU H H 1 8.439 0.002 . . . . . . A 537 GLU H . 34442 1 918 . 1 . 1 72 72 GLU HA H 1 4.098 0.000 . . . . . . A 537 GLU HA . 34442 1 919 . 1 . 1 72 72 GLU HB2 H 1 2.148 0.000 . . . . . . A 537 GLU HB2 . 34442 1 920 . 1 . 1 72 72 GLU HB3 H 1 2.085 0.000 . . . . . . A 537 GLU HB3 . 34442 1 921 . 1 . 1 72 72 GLU HG2 H 1 2.603 0.000 . . . . . . A 537 GLU HG2 . 34442 1 922 . 1 . 1 72 72 GLU HG3 H 1 2.334 0.000 . . . . . . A 537 GLU HG3 . 34442 1 923 . 1 . 1 72 72 GLU C C 13 179.964 0.004 . . . . . . A 537 GLU C . 34442 1 924 . 1 . 1 72 72 GLU CA C 13 59.355 0.015 . . . . . . A 537 GLU CA . 34442 1 925 . 1 . 1 72 72 GLU CB C 13 29.750 0.020 . . . . . . A 537 GLU CB . 34442 1 926 . 1 . 1 72 72 GLU CG C 13 37.007 0.013 . . . . . . A 537 GLU CG . 34442 1 927 . 1 . 1 72 72 GLU N N 15 117.547 0.006 . . . . . . A 537 GLU N . 34442 1 928 . 1 . 1 73 73 LYS H H 1 8.281 0.001 . . . . . . A 538 LYS H . 34442 1 929 . 1 . 1 73 73 LYS HA H 1 4.326 0.003 . . . . . . A 538 LYS HA . 34442 1 930 . 1 . 1 73 73 LYS HB2 H 1 1.979 0.000 . . . . . . A 538 LYS HB2 . 34442 1 931 . 1 . 1 73 73 LYS HB3 H 1 1.871 0.000 . . . . . . A 538 LYS HB3 . 34442 1 932 . 1 . 1 73 73 LYS HG2 H 1 1.401 0.009 . . . . . . A 538 LYS HG2 . 34442 1 933 . 1 . 1 73 73 LYS HG3 H 1 1.522 0.011 . . . . . . A 538 LYS HG3 . 34442 1 934 . 1 . 1 73 73 LYS HD2 H 1 1.778 0.000 . . . . . . A 538 LYS HD2 . 34442 1 935 . 1 . 1 73 73 LYS HD3 H 1 1.778 0.000 . . . . . . A 538 LYS HD3 . 34442 1 936 . 1 . 1 73 73 LYS HE2 H 1 2.679 0.001 . . . . . . A 538 LYS HE2 . 34442 1 937 . 1 . 1 73 73 LYS HE3 H 1 2.679 0.001 . . . . . . A 538 LYS HE3 . 34442 1 938 . 1 . 1 73 73 LYS C C 13 178.564 0.002 . . . . . . A 538 LYS C . 34442 1 939 . 1 . 1 73 73 LYS CA C 13 57.228 0.007 . . . . . . A 538 LYS CA . 34442 1 940 . 1 . 1 73 73 LYS CB C 13 30.606 0.007 . . . . . . A 538 LYS CB . 34442 1 941 . 1 . 1 73 73 LYS CG C 13 25.264 0.027 . . . . . . A 538 LYS CG . 34442 1 942 . 1 . 1 73 73 LYS CD C 13 27.718 0.036 . . . . . . A 538 LYS CD . 34442 1 943 . 1 . 1 73 73 LYS CE C 13 41.767 0.003 . . . . . . A 538 LYS CE . 34442 1 944 . 1 . 1 73 73 LYS N N 15 121.312 0.003 . . . . . . A 538 LYS N . 34442 1 945 . 1 . 1 74 74 ALA H H 1 8.960 0.001 . . . . . . A 539 ALA H . 34442 1 946 . 1 . 1 74 74 ALA HA H 1 3.906 0.000 . . . . . . A 539 ALA HA . 34442 1 947 . 1 . 1 74 74 ALA HB1 H 1 1.401 0.000 . . . . . . A 539 ALA HB1 . 34442 1 948 . 1 . 1 74 74 ALA HB2 H 1 1.401 0.000 . . . . . . A 539 ALA HB2 . 34442 1 949 . 1 . 1 74 74 ALA HB3 H 1 1.401 0.000 . . . . . . A 539 ALA HB3 . 34442 1 950 . 1 . 1 74 74 ALA C C 13 179.249 0.004 . . . . . . A 539 ALA C . 34442 1 951 . 1 . 1 74 74 ALA CA C 13 55.758 0.006 . . . . . . A 539 ALA CA . 34442 1 952 . 1 . 1 74 74 ALA CB C 13 18.180 0.035 . . . . . . A 539 ALA CB . 34442 1 953 . 1 . 1 74 74 ALA N N 15 120.748 0.005 . . . . . . A 539 ALA N . 34442 1 954 . 1 . 1 75 75 ALA H H 1 7.960 0.001 . . . . . . A 540 ALA H . 34442 1 955 . 1 . 1 75 75 ALA HA H 1 3.977 0.000 . . . . . . A 540 ALA HA . 34442 1 956 . 1 . 1 75 75 ALA HB1 H 1 1.647 0.000 . . . . . . A 540 ALA HB1 . 34442 1 957 . 1 . 1 75 75 ALA HB2 H 1 1.647 0.000 . . . . . . A 540 ALA HB2 . 34442 1 958 . 1 . 1 75 75 ALA HB3 H 1 1.647 0.000 . . . . . . A 540 ALA HB3 . 34442 1 959 . 1 . 1 75 75 ALA C C 13 179.921 0.004 . . . . . . A 540 ALA C . 34442 1 960 . 1 . 1 75 75 ALA CA C 13 55.752 0.004 . . . . . . A 540 ALA CA . 34442 1 961 . 1 . 1 75 75 ALA CB C 13 18.127 0.062 . . . . . . A 540 ALA CB . 34442 1 962 . 1 . 1 75 75 ALA N N 15 119.210 0.008 . . . . . . A 540 ALA N . 34442 1 963 . 1 . 1 76 76 GLU H H 1 7.782 0.002 . . . . . . A 541 GLU H . 34442 1 964 . 1 . 1 76 76 GLU HA H 1 4.108 0.000 . . . . . . A 541 GLU HA . 34442 1 965 . 1 . 1 76 76 GLU HB2 H 1 2.300 0.000 . . . . . . A 541 GLU HB2 . 34442 1 966 . 1 . 1 76 76 GLU HB3 H 1 2.332 0.000 . . . . . . A 541 GLU HB3 . 34442 1 967 . 1 . 1 76 76 GLU HG2 H 1 2.451 0.000 . . . . . . A 541 GLU HG2 . 34442 1 968 . 1 . 1 76 76 GLU HG3 H 1 2.123 0.000 . . . . . . A 541 GLU HG3 . 34442 1 969 . 1 . 1 76 76 GLU C C 13 179.255 0.002 . . . . . . A 541 GLU C . 34442 1 970 . 1 . 1 76 76 GLU CA C 13 59.549 0.007 . . . . . . A 541 GLU CA . 34442 1 971 . 1 . 1 76 76 GLU CB C 13 30.051 0.009 . . . . . . A 541 GLU CB . 34442 1 972 . 1 . 1 76 76 GLU CG C 13 36.060 0.012 . . . . . . A 541 GLU CG . 34442 1 973 . 1 . 1 76 76 GLU N N 15 120.077 0.003 . . . . . . A 541 GLU N . 34442 1 974 . 1 . 1 77 77 VAL H H 1 8.673 0.002 . . . . . . A 542 VAL H . 34442 1 975 . 1 . 1 77 77 VAL HA H 1 3.568 0.009 . . . . . . A 542 VAL HA . 34442 1 976 . 1 . 1 77 77 VAL HB H 1 2.060 0.000 . . . . . . A 542 VAL HB . 34442 1 977 . 1 . 1 77 77 VAL HG11 H 1 1.105 0.011 . . . . . . A 542 VAL HG11 . 34442 1 978 . 1 . 1 77 77 VAL HG12 H 1 1.105 0.011 . . . . . . A 542 VAL HG12 . 34442 1 979 . 1 . 1 77 77 VAL HG13 H 1 1.105 0.011 . . . . . . A 542 VAL HG13 . 34442 1 980 . 1 . 1 77 77 VAL HG21 H 1 0.905 0.000 . . . . . . A 542 VAL HG21 . 34442 1 981 . 1 . 1 77 77 VAL HG22 H 1 0.905 0.000 . . . . . . A 542 VAL HG22 . 34442 1 982 . 1 . 1 77 77 VAL HG23 H 1 0.905 0.000 . . . . . . A 542 VAL HG23 . 34442 1 983 . 1 . 1 77 77 VAL C C 13 177.321 0.001 . . . . . . A 542 VAL C . 34442 1 984 . 1 . 1 77 77 VAL CA C 13 67.168 0.000 . . . . . . A 542 VAL CA . 34442 1 985 . 1 . 1 77 77 VAL CB C 13 31.784 0.017 . . . . . . A 542 VAL CB . 34442 1 986 . 1 . 1 77 77 VAL CG1 C 13 23.846 0.008 . . . . . . A 542 VAL CG1 . 34442 1 987 . 1 . 1 77 77 VAL CG2 C 13 22.058 0.013 . . . . . . A 542 VAL CG2 . 34442 1 988 . 1 . 1 77 77 VAL N N 15 120.221 0.012 . . . . . . A 542 VAL N . 34442 1 989 . 1 . 1 78 78 TYR H H 1 8.884 0.002 . . . . . . A 543 TYR H . 34442 1 990 . 1 . 1 78 78 TYR HA H 1 3.929 0.000 . . . . . . A 543 TYR HA . 34442 1 991 . 1 . 1 78 78 TYR HB2 H 1 3.021 0.003 . . . . . . A 543 TYR HB2 . 34442 1 992 . 1 . 1 78 78 TYR HB3 H 1 3.175 0.005 . . . . . . A 543 TYR HB3 . 34442 1 993 . 1 . 1 78 78 TYR HD1 H 1 7.020 0.002 . . . . . . A 543 TYR HD1 . 34442 1 994 . 1 . 1 78 78 TYR HD2 H 1 7.020 0.002 . . . . . . A 543 TYR HD2 . 34442 1 995 . 1 . 1 78 78 TYR HE1 H 1 6.734 0.002 . . . . . . A 543 TYR HE1 . 34442 1 996 . 1 . 1 78 78 TYR HE2 H 1 6.734 0.002 . . . . . . A 543 TYR HE2 . 34442 1 997 . 1 . 1 78 78 TYR C C 13 176.288 0.001 . . . . . . A 543 TYR C . 34442 1 998 . 1 . 1 78 78 TYR CA C 13 62.396 0.002 . . . . . . A 543 TYR CA . 34442 1 999 . 1 . 1 78 78 TYR CB C 13 38.327 0.009 . . . . . . A 543 TYR CB . 34442 1 1000 . 1 . 1 78 78 TYR CD1 C 13 132.690 0.071 . . . . . . A 543 TYR CD1 . 34442 1 1001 . 1 . 1 78 78 TYR CE1 C 13 118.225 0.021 . . . . . . A 543 TYR CE1 . 34442 1 1002 . 1 . 1 78 78 TYR N N 15 120.455 0.005 . . . . . . A 543 TYR N . 34442 1 1003 . 1 . 1 79 79 THR H H 1 7.964 0.005 . . . . . . A 544 THR H . 34442 1 1004 . 1 . 1 79 79 THR HA H 1 3.971 0.358 . . . . . . A 544 THR HA . 34442 1 1005 . 1 . 1 79 79 THR HB H 1 4.323 0.000 . . . . . . A 544 THR HB . 34442 1 1006 . 1 . 1 79 79 THR HG21 H 1 1.264 0.000 . . . . . . A 544 THR HG21 . 34442 1 1007 . 1 . 1 79 79 THR HG22 H 1 1.264 0.000 . . . . . . A 544 THR HG22 . 34442 1 1008 . 1 . 1 79 79 THR HG23 H 1 1.264 0.000 . . . . . . A 544 THR HG23 . 34442 1 1009 . 1 . 1 79 79 THR C C 13 176.737 0.004 . . . . . . A 544 THR C . 34442 1 1010 . 1 . 1 79 79 THR CA C 13 66.855 0.016 . . . . . . A 544 THR CA . 34442 1 1011 . 1 . 1 79 79 THR CB C 13 68.727 0.026 . . . . . . A 544 THR CB . 34442 1 1012 . 1 . 1 79 79 THR CG2 C 13 21.934 0.003 . . . . . . A 544 THR CG2 . 34442 1 1013 . 1 . 1 79 79 THR N N 15 114.596 0.005 . . . . . . A 544 THR N . 34442 1 1014 . 1 . 1 80 80 ARG H H 1 7.995 0.002 . . . . . . A 545 ARG H . 34442 1 1015 . 1 . 1 80 80 ARG HA H 1 4.031 0.000 . . . . . . A 545 ARG HA . 34442 1 1016 . 1 . 1 80 80 ARG HB2 H 1 1.990 0.000 . . . . . . A 545 ARG HB2 . 34442 1 1017 . 1 . 1 80 80 ARG HB3 H 1 1.968 0.000 . . . . . . A 545 ARG HB3 . 34442 1 1018 . 1 . 1 80 80 ARG HG2 H 1 1.823 0.000 . . . . . . A 545 ARG HG2 . 34442 1 1019 . 1 . 1 80 80 ARG HG3 H 1 1.662 0.000 . . . . . . A 545 ARG HG3 . 34442 1 1020 . 1 . 1 80 80 ARG HD2 H 1 3.199 0.000 . . . . . . A 545 ARG HD2 . 34442 1 1021 . 1 . 1 80 80 ARG HD3 H 1 3.199 0.000 . . . . . . A 545 ARG HD3 . 34442 1 1022 . 1 . 1 80 80 ARG C C 13 179.123 0.004 . . . . . . A 545 ARG C . 34442 1 1023 . 1 . 1 80 80 ARG CA C 13 59.560 0.009 . . . . . . A 545 ARG CA . 34442 1 1024 . 1 . 1 80 80 ARG CB C 13 30.305 0.007 . . . . . . A 545 ARG CB . 34442 1 1025 . 1 . 1 80 80 ARG CG C 13 27.467 0.033 . . . . . . A 545 ARG CG . 34442 1 1026 . 1 . 1 80 80 ARG CD C 13 43.892 0.012 . . . . . . A 545 ARG CD . 34442 1 1027 . 1 . 1 80 80 ARG N N 15 122.178 0.003 . . . . . . A 545 ARG N . 34442 1 1028 . 1 . 1 81 81 LEU H H 1 8.450 0.002 . . . . . . A 546 LEU H . 34442 1 1029 . 1 . 1 81 81 LEU HA H 1 3.977 0.000 . . . . . . A 546 LEU HA . 34442 1 1030 . 1 . 1 81 81 LEU HB2 H 1 1.678 0.000 . . . . . . A 546 LEU HB2 . 34442 1 1031 . 1 . 1 81 81 LEU HB3 H 1 1.286 0.000 . . . . . . A 546 LEU HB3 . 34442 1 1032 . 1 . 1 81 81 LEU HG H 1 1.803 0.011 . . . . . . A 546 LEU HG . 34442 1 1033 . 1 . 1 81 81 LEU HD11 H 1 0.674 0.010 . . . . . . A 546 LEU HD11 . 34442 1 1034 . 1 . 1 81 81 LEU HD12 H 1 0.674 0.010 . . . . . . A 546 LEU HD12 . 34442 1 1035 . 1 . 1 81 81 LEU HD13 H 1 0.674 0.010 . . . . . . A 546 LEU HD13 . 34442 1 1036 . 1 . 1 81 81 LEU HD21 H 1 0.760 0.013 . . . . . . A 546 LEU HD21 . 34442 1 1037 . 1 . 1 81 81 LEU HD22 H 1 0.760 0.013 . . . . . . A 546 LEU HD22 . 34442 1 1038 . 1 . 1 81 81 LEU HD23 H 1 0.760 0.013 . . . . . . A 546 LEU HD23 . 34442 1 1039 . 1 . 1 81 81 LEU C C 13 178.891 0.004 . . . . . . A 546 LEU C . 34442 1 1040 . 1 . 1 81 81 LEU CA C 13 57.793 0.007 . . . . . . A 546 LEU CA . 34442 1 1041 . 1 . 1 81 81 LEU CB C 13 41.618 0.007 . . . . . . A 546 LEU CB . 34442 1 1042 . 1 . 1 81 81 LEU CG C 13 27.061 0.053 . . . . . . A 546 LEU CG . 34442 1 1043 . 1 . 1 81 81 LEU CD1 C 13 25.289 0.056 . . . . . . A 546 LEU CD1 . 34442 1 1044 . 1 . 1 81 81 LEU CD2 C 13 23.047 0.016 . . . . . . A 546 LEU CD2 . 34442 1 1045 . 1 . 1 81 81 LEU N N 15 119.296 0.004 . . . . . . A 546 LEU N . 34442 1 1046 . 1 . 1 82 82 LYS H H 1 8.060 0.002 . . . . . . A 547 LYS H . 34442 1 1047 . 1 . 1 82 82 LYS HA H 1 3.848 0.008 . . . . . . A 547 LYS HA . 34442 1 1048 . 1 . 1 82 82 LYS HB2 H 1 1.454 0.000 . . . . . . A 547 LYS HB2 . 34442 1 1049 . 1 . 1 82 82 LYS HB3 H 1 1.541 0.000 . . . . . . A 547 LYS HB3 . 34442 1 1050 . 1 . 1 82 82 LYS HG2 H 1 1.081 0.012 . . . . . . A 547 LYS HG2 . 34442 1 1051 . 1 . 1 82 82 LYS HG3 H 1 1.081 0.012 . . . . . . A 547 LYS HG3 . 34442 1 1052 . 1 . 1 82 82 LYS HD2 H 1 1.426 0.000 . . . . . . A 547 LYS HD2 . 34442 1 1053 . 1 . 1 82 82 LYS HD3 H 1 1.356 0.000 . . . . . . A 547 LYS HD3 . 34442 1 1054 . 1 . 1 82 82 LYS HE2 H 1 2.874 0.002 . . . . . . A 547 LYS HE2 . 34442 1 1055 . 1 . 1 82 82 LYS HE3 H 1 2.784 0.003 . . . . . . A 547 LYS HE3 . 34442 1 1056 . 1 . 1 82 82 LYS C C 13 178.393 0.002 . . . . . . A 547 LYS C . 34442 1 1057 . 1 . 1 82 82 LYS CA C 13 57.587 0.024 . . . . . . A 547 LYS CA . 34442 1 1058 . 1 . 1 82 82 LYS CB C 13 31.279 0.012 . . . . . . A 547 LYS CB . 34442 1 1059 . 1 . 1 82 82 LYS CG C 13 23.907 0.006 . . . . . . A 547 LYS CG . 34442 1 1060 . 1 . 1 82 82 LYS CD C 13 28.352 0.009 . . . . . . A 547 LYS CD . 34442 1 1061 . 1 . 1 82 82 LYS CE C 13 41.742 0.002 . . . . . . A 547 LYS CE . 34442 1 1062 . 1 . 1 82 82 LYS N N 15 117.413 0.002 . . . . . . A 547 LYS N . 34442 1 1063 . 1 . 1 83 83 SER H H 1 7.724 0.001 . . . . . . A 548 SER H . 34442 1 1064 . 1 . 1 83 83 SER HA H 1 4.334 0.000 . . . . . . A 548 SER HA . 34442 1 1065 . 1 . 1 83 83 SER HB2 H 1 3.974 0.000 . . . . . . A 548 SER HB2 . 34442 1 1066 . 1 . 1 83 83 SER HB3 H 1 3.974 0.000 . . . . . . A 548 SER HB3 . 34442 1 1067 . 1 . 1 83 83 SER C C 13 175.237 0.000 . . . . . . A 548 SER C . 34442 1 1068 . 1 . 1 83 83 SER CA C 13 59.972 0.008 . . . . . . A 548 SER CA . 34442 1 1069 . 1 . 1 83 83 SER CB C 13 63.474 0.016 . . . . . . A 548 SER CB . 34442 1 1070 . 1 . 1 83 83 SER N N 15 114.017 0.006 . . . . . . A 548 SER N . 34442 1 1071 . 1 . 1 84 84 ARG H H 1 7.634 0.001 . . . . . . A 549 ARG H . 34442 1 1072 . 1 . 1 84 84 ARG HA H 1 4.299 0.011 . . . . . . A 549 ARG HA . 34442 1 1073 . 1 . 1 84 84 ARG HB2 H 1 1.817 0.000 . . . . . . A 549 ARG HB2 . 34442 1 1074 . 1 . 1 84 84 ARG HB3 H 1 1.921 0.000 . . . . . . A 549 ARG HB3 . 34442 1 1075 . 1 . 1 84 84 ARG HG2 H 1 1.735 0.000 . . . . . . A 549 ARG HG2 . 34442 1 1076 . 1 . 1 84 84 ARG HG3 H 1 1.735 0.000 . . . . . . A 549 ARG HG3 . 34442 1 1077 . 1 . 1 84 84 ARG HD2 H 1 3.223 0.018 . . . . . . A 549 ARG HD2 . 34442 1 1078 . 1 . 1 84 84 ARG HD3 H 1 3.223 0.018 . . . . . . A 549 ARG HD3 . 34442 1 1079 . 1 . 1 84 84 ARG C C 13 176.761 0.002 . . . . . . A 549 ARG C . 34442 1 1080 . 1 . 1 84 84 ARG CA C 13 56.749 0.016 . . . . . . A 549 ARG CA . 34442 1 1081 . 1 . 1 84 84 ARG CB C 13 30.207 0.012 . . . . . . A 549 ARG CB . 34442 1 1082 . 1 . 1 84 84 ARG CG C 13 27.303 0.033 . . . . . . A 549 ARG CG . 34442 1 1083 . 1 . 1 84 84 ARG CD C 13 43.393 0.009 . . . . . . A 549 ARG CD . 34442 1 1084 . 1 . 1 84 84 ARG N N 15 121.204 0.004 . . . . . . A 549 ARG N . 34442 1 1085 . 1 . 1 85 85 GLY H H 1 8.059 0.001 . . . . . . A 550 GLY H . 34442 1 1086 . 1 . 1 85 85 GLY HA2 H 1 4.094 0.000 . . . . . . A 550 GLY HA2 . 34442 1 1087 . 1 . 1 85 85 GLY HA3 H 1 3.805 0.000 . . . . . . A 550 GLY HA3 . 34442 1 1088 . 1 . 1 85 85 GLY C C 13 173.243 0.001 . . . . . . A 550 GLY C . 34442 1 1089 . 1 . 1 85 85 GLY CA C 13 45.448 0.002 . . . . . . A 550 GLY CA . 34442 1 1090 . 1 . 1 85 85 GLY N N 15 108.349 0.005 . . . . . . A 550 GLY N . 34442 1 1091 . 1 . 1 86 86 SER H H 1 7.715 0.001 . . . . . . A 551 SER H . 34442 1 1092 . 1 . 1 86 86 SER HA H 1 4.286 0.000 . . . . . . A 551 SER HA . 34442 1 1093 . 1 . 1 86 86 SER HB2 H 1 3.849 0.000 . . . . . . A 551 SER HB2 . 34442 1 1094 . 1 . 1 86 86 SER HB3 H 1 3.849 0.000 . . . . . . A 551 SER HB3 . 34442 1 1095 . 1 . 1 86 86 SER C C 13 178.689 0.000 . . . . . . A 551 SER C . 34442 1 1096 . 1 . 1 86 86 SER CA C 13 60.083 0.000 . . . . . . A 551 SER CA . 34442 1 1097 . 1 . 1 86 86 SER CB C 13 64.999 0.001 . . . . . . A 551 SER CB . 34442 1 1098 . 1 . 1 86 86 SER N N 15 121.158 0.002 . . . . . . A 551 SER N . 34442 1 stop_ save_