data_34220 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34220 _Entry.Title ; NMR Solution Structure of MINA-1(254-334) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-19 _Entry.Accession_date 2017-12-19 _Entry.Last_release_date 2019-01-22 _Entry.Original_release_date 2019-01-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34220 stop_ 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 E. Michel E. . . . 34220 2 F. Allain F. . . . 34220 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'GXXG loop' . 34220 'K homology (KH) domain' . 34220 'RNA binding protein' . 34220 'RNA recognition' . 34220 'antiparallel three-stranded beta-sheet' . 34220 'type-I KH domain' . 34220 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34220 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 286 34220 '15N chemical shifts' 98 34220 '1H chemical shifts' 608 34220 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 . . 2019-08-13 2017-12-19 update BMRB 'update entry citation' 34220 1 . . 2019-01-28 2017-12-19 original author 'original release' 34220 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6FBL . 34220 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34220 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30728462 _Citation.Full_citation . _Citation.Title ; MINA-1 and WAGO-4 are part of regulatory network coordinating germ cell death and RNAi in C. elegans ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Death Differ.' _Citation.Journal_name_full 'Cell death and differentiation' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1476-5403 _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 . _Citation.Page_last . _Citation.Year 2019 _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 Ataman Sendoel A. . . . 34220 1 2 Deni Subasic D. . . . 34220 1 3 Luca Ducoli L. . . . 34220 1 4 Martin Keller M. . . . 34220 1 5 Erich Michel E. . . . 34220 1 6 Ines Kohler I. . . . 34220 1 7 'Kapil Dev' Singh K. D. . . 34220 1 8 Xue Zheng X. . . . 34220 1 9 Anneke Brummer A. . . . 34220 1 10 Jochen Imig J. . . . 34220 1 11 Shivendra Kishore S. . . . 34220 1 12 Yibo Wu Y. . . . 34220 1 13 Alexander Kanitz A. . . . 34220 1 14 Andres Kaech A. . . . 34220 1 15 Nitish Mittal N. . . . 34220 1 16 Ana Matia-Gonzalez A. M. . . 34220 1 17 Andre Gerber A. P. . . 34220 1 18 Mihaela Zavolan M. . . . 34220 1 19 Ruedi Aebersold R. . . . 34220 1 20 Jonathan Hall J. . . . 34220 1 21 'Frederic H-T' Allain F. H. . . 34220 1 22 Michael Hengartner M. O. . . 34220 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34220 _Assembly.ID 1 _Assembly.Name MINA-1 _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 entity_1 1 $entity_1 A A yes . . . . . . 34220 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34220 _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 ; SGSHMKTCVVEKIKQWIPTT EVGKILGNRAAVKKHIERQF NCVITVHTEVQSSFGATPVE IVAQNKEQCQEARNAVMSLM QSHQDK ; _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 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'K homology domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9634.081 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 34220 1 2 . GLY . 34220 1 3 . SER . 34220 1 4 . HIS . 34220 1 5 . MET . 34220 1 6 . LYS . 34220 1 7 . THR . 34220 1 8 . CYS . 34220 1 9 . VAL . 34220 1 10 . VAL . 34220 1 11 . GLU . 34220 1 12 . LYS . 34220 1 13 . ILE . 34220 1 14 . LYS . 34220 1 15 . GLN . 34220 1 16 . TRP . 34220 1 17 . ILE . 34220 1 18 . PRO . 34220 1 19 . THR . 34220 1 20 . THR . 34220 1 21 . GLU . 34220 1 22 . VAL . 34220 1 23 . GLY . 34220 1 24 . LYS . 34220 1 25 . ILE . 34220 1 26 . LEU . 34220 1 27 . GLY . 34220 1 28 . ASN . 34220 1 29 . ARG . 34220 1 30 . ALA . 34220 1 31 . ALA . 34220 1 32 . VAL . 34220 1 33 . LYS . 34220 1 34 . LYS . 34220 1 35 . HIS . 34220 1 36 . ILE . 34220 1 37 . GLU . 34220 1 38 . ARG . 34220 1 39 . GLN . 34220 1 40 . PHE . 34220 1 41 . ASN . 34220 1 42 . CYS . 34220 1 43 . VAL . 34220 1 44 . ILE . 34220 1 45 . THR . 34220 1 46 . VAL . 34220 1 47 . HIS . 34220 1 48 . THR . 34220 1 49 . GLU . 34220 1 50 . VAL . 34220 1 51 . GLN . 34220 1 52 . SER . 34220 1 53 . SER . 34220 1 54 . PHE . 34220 1 55 . GLY . 34220 1 56 . ALA . 34220 1 57 . THR . 34220 1 58 . PRO . 34220 1 59 . VAL . 34220 1 60 . GLU . 34220 1 61 . ILE . 34220 1 62 . VAL . 34220 1 63 . ALA . 34220 1 64 . GLN . 34220 1 65 . ASN . 34220 1 66 . LYS . 34220 1 67 . GLU . 34220 1 68 . GLN . 34220 1 69 . CYS . 34220 1 70 . GLN . 34220 1 71 . GLU . 34220 1 72 . ALA . 34220 1 73 . ARG . 34220 1 74 . ASN . 34220 1 75 . ALA . 34220 1 76 . VAL . 34220 1 77 . MET . 34220 1 78 . SER . 34220 1 79 . LEU . 34220 1 80 . MET . 34220 1 81 . GLN . 34220 1 82 . SER . 34220 1 83 . HIS . 34220 1 84 . GLN . 34220 1 85 . ASP . 34220 1 86 . LYS . 34220 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 . SER 1 1 34220 1 . GLY 2 2 34220 1 . SER 3 3 34220 1 . HIS 4 4 34220 1 . MET 5 5 34220 1 . LYS 6 6 34220 1 . THR 7 7 34220 1 . CYS 8 8 34220 1 . VAL 9 9 34220 1 . VAL 10 10 34220 1 . GLU 11 11 34220 1 . LYS 12 12 34220 1 . ILE 13 13 34220 1 . LYS 14 14 34220 1 . GLN 15 15 34220 1 . TRP 16 16 34220 1 . ILE 17 17 34220 1 . PRO 18 18 34220 1 . THR 19 19 34220 1 . THR 20 20 34220 1 . GLU 21 21 34220 1 . VAL 22 22 34220 1 . GLY 23 23 34220 1 . LYS 24 24 34220 1 . ILE 25 25 34220 1 . LEU 26 26 34220 1 . GLY 27 27 34220 1 . ASN 28 28 34220 1 . ARG 29 29 34220 1 . ALA 30 30 34220 1 . ALA 31 31 34220 1 . VAL 32 32 34220 1 . LYS 33 33 34220 1 . LYS 34 34 34220 1 . HIS 35 35 34220 1 . ILE 36 36 34220 1 . GLU 37 37 34220 1 . ARG 38 38 34220 1 . GLN 39 39 34220 1 . PHE 40 40 34220 1 . ASN 41 41 34220 1 . CYS 42 42 34220 1 . VAL 43 43 34220 1 . ILE 44 44 34220 1 . THR 45 45 34220 1 . VAL 46 46 34220 1 . HIS 47 47 34220 1 . THR 48 48 34220 1 . GLU 49 49 34220 1 . VAL 50 50 34220 1 . GLN 51 51 34220 1 . SER 52 52 34220 1 . SER 53 53 34220 1 . PHE 54 54 34220 1 . GLY 55 55 34220 1 . ALA 56 56 34220 1 . THR 57 57 34220 1 . PRO 58 58 34220 1 . VAL 59 59 34220 1 . GLU 60 60 34220 1 . ILE 61 61 34220 1 . VAL 62 62 34220 1 . ALA 63 63 34220 1 . GLN 64 64 34220 1 . ASN 65 65 34220 1 . LYS 66 66 34220 1 . GLU 67 67 34220 1 . GLN 68 68 34220 1 . CYS 69 69 34220 1 . GLN 70 70 34220 1 . GLU 71 71 34220 1 . ALA 72 72 34220 1 . ARG 73 73 34220 1 . ASN 74 74 34220 1 . ALA 75 75 34220 1 . VAL 76 76 34220 1 . MET 77 77 34220 1 . SER 78 78 34220 1 . LEU 79 79 34220 1 . MET 80 80 34220 1 . GLN 81 81 34220 1 . SER 82 82 34220 1 . HIS 83 83 34220 1 . GLN 84 84 34220 1 . ASP 85 85 34220 1 . LYS 86 86 34220 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 34220 _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 . 6239 organism . 'Caenorhabditis elegans' 'C. elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . 'C41G7.3, CELE_C41G7.3' . 34220 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 34220 _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 BL21(DE3)' . . 469008 . . . Star . plasmid . . pCFX3 . . . 34220 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34220 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-99% 13C; U-99% 15N] MINA-1(254-334), 20 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 0.5 mM EDTA, 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 MINA-1(254-334) '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34220 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34220 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34220 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34220 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 34220 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 34220 _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' 50 . mM 34220 1 pH 5.0 . pH 34220 1 pressure 1 . atm 34220 1 temperature 293.15 . K 34220 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34220 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34220 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34220 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34220 _Software.ID 2 _Software.Type . _Software.Name ATNOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 34220 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 34220 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34220 _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' . . 34220 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34220 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34220 _Software.ID 4 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34220 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34220 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 34220 _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 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34220 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34220 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 34220 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 34220 _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 . 900 . . . 34220 1 2 NMR_spectrometer_2 Bruker Avance . 700 . . . 34220 1 3 NMR_spectrometer_3 Bruker Avance . 600 . . . 34220 1 4 NMR_spectrometer_4 Bruker Avance . 500 . . . 34220 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 34220 _Experiment_list.ID 1 _Experiment_list.Details NULL loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34220 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34220 1 3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34220 1 4 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34220 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34220 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34220 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34220 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34220 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34220 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 34220 _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 water protons . . . . Hz 899.600125944 internal indirect 0.251449530 . . . . . 34220 1 H 1 water protons . . . . Hz 899.600125944 internal direct 1 . . . . . 34220 1 N 15 water protons . . . . Hz 899.600125944 internal indirect 0.101329118 . . . . . 34220 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 34220 _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 '2D 1H-15N HSQC' . . . 34220 1 2 '3D 1H-15N NOESY' . . . 34220 1 3 '3D 1H-13C NOESY aliphatic' . . . 34220 1 4 '3D 1H-13C NOESY aromatic' . . . 34220 1 5 '3D HNCA' . . . 34220 1 6 '3D CBCA(CO)NH' . . . 34220 1 7 '3D HNCACB' . . . 34220 1 8 '3D H(CCO)NH' . . . 34220 1 9 '3D C(CO)NH' . . . 34220 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 2 2 GLY H H 1 8.785 0.02 . 1 . . . . A 2 GLY H . 34220 1 2 . 1 1 2 2 GLY HA2 H 1 4.054 0.02 . 1 . . . . A 2 GLY HA2 . 34220 1 3 . 1 1 2 2 GLY HA3 H 1 4.054 0.02 . 1 . . . . A 2 GLY HA3 . 34220 1 4 . 1 1 2 2 GLY CA C 13 45.105 0.3 . 1 . . . . A 2 GLY CA . 34220 1 5 . 1 1 2 2 GLY N N 15 109.622 0.3 . 1 . . . . A 2 GLY N . 34220 1 6 . 1 1 3 3 SER H H 1 8.398 0.02 . 1 . . . . A 3 SER H . 34220 1 7 . 1 1 3 3 SER HA H 1 4.427 0.02 . 1 . . . . A 3 SER HA . 34220 1 8 . 1 1 3 3 SER HB2 H 1 3.823 0.02 . 2 . . . . A 3 SER HB2 . 34220 1 9 . 1 1 3 3 SER HB3 H 1 3.802 0.02 . 2 . . . . A 3 SER HB3 . 34220 1 10 . 1 1 3 3 SER CA C 13 58.138 0.3 . 1 . . . . A 3 SER CA . 34220 1 11 . 1 1 3 3 SER CB C 13 63.853 0.3 . 1 . . . . A 3 SER CB . 34220 1 12 . 1 1 3 3 SER N N 15 115.664 0.3 . 1 . . . . A 3 SER N . 34220 1 13 . 1 1 4 4 HIS H H 1 8.686 0.02 . 1 . . . . A 4 HIS H . 34220 1 14 . 1 1 4 4 HIS HA H 1 4.723 0.02 . 1 . . . . A 4 HIS HA . 34220 1 15 . 1 1 4 4 HIS HB2 H 1 3.28 0.02 . 2 . . . . A 4 HIS HB2 . 34220 1 16 . 1 1 4 4 HIS HB3 H 1 3.16 0.02 . 2 . . . . A 4 HIS HB3 . 34220 1 17 . 1 1 4 4 HIS CA C 13 55.229 0.3 . 1 . . . . A 4 HIS CA . 34220 1 18 . 1 1 4 4 HIS CB C 13 28.823 0.3 . 1 . . . . A 4 HIS CB . 34220 1 19 . 1 1 4 4 HIS N N 15 120.679 0.3 . 1 . . . . A 4 HIS N . 34220 1 20 . 1 1 5 5 MET H H 1 8.434 0.02 . 1 . . . . A 5 MET H . 34220 1 21 . 1 1 5 5 MET HA H 1 4.463 0.02 . 1 . . . . A 5 MET HA . 34220 1 22 . 1 1 5 5 MET HG2 H 1 2.558 0.02 . 2 . . . . A 5 MET HG2 . 34220 1 23 . 1 1 5 5 MET HG3 H 1 2.504 0.02 . 2 . . . . A 5 MET HG3 . 34220 1 24 . 1 1 5 5 MET HE1 H 1 2.1 0.02 . 1 . . . . A 5 MET HE1 . 34220 1 25 . 1 1 5 5 MET HE2 H 1 2.1 0.02 . 1 . . . . A 5 MET HE2 . 34220 1 26 . 1 1 5 5 MET HE3 H 1 2.1 0.02 . 1 . . . . A 5 MET HE3 . 34220 1 27 . 1 1 5 5 MET CA C 13 55.464 0.3 . 1 . . . . A 5 MET CA . 34220 1 28 . 1 1 5 5 MET CB C 13 32.986 0.3 . 1 . . . . A 5 MET CB . 34220 1 29 . 1 1 5 5 MET CE C 13 16.891 0.3 . 1 . . . . A 5 MET CE . 34220 1 30 . 1 1 5 5 MET N N 15 121.885 0.3 . 1 . . . . A 5 MET N . 34220 1 31 . 1 1 6 6 LYS H H 1 8.53 0.02 . 1 . . . . A 6 LYS H . 34220 1 32 . 1 1 6 6 LYS HA H 1 4.391 0.02 . 1 . . . . A 6 LYS HA . 34220 1 33 . 1 1 6 6 LYS HB2 H 1 1.862 0.02 . 2 . . . . A 6 LYS HB2 . 34220 1 34 . 1 1 6 6 LYS HB3 H 1 1.79 0.02 . 2 . . . . A 6 LYS HB3 . 34220 1 35 . 1 1 6 6 LYS HG2 H 1 1.484 0.02 . 2 . . . . A 6 LYS HG2 . 34220 1 36 . 1 1 6 6 LYS HG3 H 1 1.43 0.02 . 2 . . . . A 6 LYS HG3 . 34220 1 37 . 1 1 6 6 LYS HD2 H 1 1.683 0.02 . 1 . . . . A 6 LYS HD2 . 34220 1 38 . 1 1 6 6 LYS HD3 H 1 1.683 0.02 . 1 . . . . A 6 LYS HD3 . 34220 1 39 . 1 1 6 6 LYS HE2 H 1 3.002 0.02 . 1 . . . . A 6 LYS HE2 . 34220 1 40 . 1 1 6 6 LYS HE3 H 1 3.002 0.02 . 1 . . . . A 6 LYS HE3 . 34220 1 41 . 1 1 6 6 LYS CA C 13 56.425 0.3 . 1 . . . . A 6 LYS CA . 34220 1 42 . 1 1 6 6 LYS CB C 13 33.004 0.3 . 1 . . . . A 6 LYS CB . 34220 1 43 . 1 1 6 6 LYS CG C 13 24.682 0.3 . 1 . . . . A 6 LYS CG . 34220 1 44 . 1 1 6 6 LYS CD C 13 29.159 0.3 . 1 . . . . A 6 LYS CD . 34220 1 45 . 1 1 6 6 LYS CE C 13 41.924 0.3 . 1 . . . . A 6 LYS CE . 34220 1 46 . 1 1 6 6 LYS N N 15 123.51 0.3 . 1 . . . . A 6 LYS N . 34220 1 47 . 1 1 7 7 THR H H 1 8.268 0.02 . 1 . . . . A 7 THR H . 34220 1 48 . 1 1 7 7 THR HA H 1 4.361 0.02 . 1 . . . . A 7 THR HA . 34220 1 49 . 1 1 7 7 THR HB H 1 4.194 0.02 . 1 . . . . A 7 THR HB . 34220 1 50 . 1 1 7 7 THR HG21 H 1 1.212 0.02 . 1 . . . . A 7 THR HG21 . 34220 1 51 . 1 1 7 7 THR HG22 H 1 1.212 0.02 . 1 . . . . A 7 THR HG22 . 34220 1 52 . 1 1 7 7 THR HG23 H 1 1.212 0.02 . 1 . . . . A 7 THR HG23 . 34220 1 53 . 1 1 7 7 THR CA C 13 61.726 0.3 . 1 . . . . A 7 THR CA . 34220 1 54 . 1 1 7 7 THR CB C 13 69.774 0.3 . 1 . . . . A 7 THR CB . 34220 1 55 . 1 1 7 7 THR CG2 C 13 21.606 0.3 . 1 . . . . A 7 THR CG2 . 34220 1 56 . 1 1 7 7 THR N N 15 116.39 0.3 . 1 . . . . A 7 THR N . 34220 1 57 . 1 1 8 8 CYS H H 1 8.512 0.02 . 1 . . . . A 8 CYS H . 34220 1 58 . 1 1 8 8 CYS HA H 1 4.599 0.02 . 1 . . . . A 8 CYS HA . 34220 1 59 . 1 1 8 8 CYS HB2 H 1 2.939 0.02 . 1 . . . . A 8 CYS HB2 . 34220 1 60 . 1 1 8 8 CYS HB3 H 1 2.939 0.02 . 1 . . . . A 8 CYS HB3 . 34220 1 61 . 1 1 8 8 CYS CA C 13 58.256 0.3 . 1 . . . . A 8 CYS CA . 34220 1 62 . 1 1 8 8 CYS CB C 13 28.103 0.3 . 1 . . . . A 8 CYS CB . 34220 1 63 . 1 1 8 8 CYS N N 15 122.552 0.3 . 1 . . . . A 8 CYS N . 34220 1 64 . 1 1 9 9 VAL H H 1 8.417 0.02 . 1 . . . . A 9 VAL H . 34220 1 65 . 1 1 9 9 VAL HA H 1 4.201 0.02 . 1 . . . . A 9 VAL HA . 34220 1 66 . 1 1 9 9 VAL HB H 1 2.109 0.02 . 1 . . . . A 9 VAL HB . 34220 1 67 . 1 1 9 9 VAL HG11 H 1 0.942 0.02 . 2 . . . . A 9 VAL HG11 . 34220 1 68 . 1 1 9 9 VAL HG12 H 1 0.942 0.02 . 2 . . . . A 9 VAL HG12 . 34220 1 69 . 1 1 9 9 VAL HG13 H 1 0.942 0.02 . 2 . . . . A 9 VAL HG13 . 34220 1 70 . 1 1 9 9 VAL HG21 H 1 0.959 0.02 . 2 . . . . A 9 VAL HG21 . 34220 1 71 . 1 1 9 9 VAL HG22 H 1 0.959 0.02 . 2 . . . . A 9 VAL HG22 . 34220 1 72 . 1 1 9 9 VAL HG23 H 1 0.959 0.02 . 2 . . . . A 9 VAL HG23 . 34220 1 73 . 1 1 9 9 VAL CA C 13 62.244 0.3 . 1 . . . . A 9 VAL CA . 34220 1 74 . 1 1 9 9 VAL CB C 13 32.71 0.3 . 1 . . . . A 9 VAL CB . 34220 1 75 . 1 1 9 9 VAL CG1 C 13 21.195 0.3 . 1 . . . . A 9 VAL CG1 . 34220 1 76 . 1 1 9 9 VAL CG2 C 13 20.498 0.3 . 1 . . . . A 9 VAL CG2 . 34220 1 77 . 1 1 9 9 VAL N N 15 124.248 0.3 . 1 . . . . A 9 VAL N . 34220 1 78 . 1 1 10 10 VAL H H 1 7.964 0.02 . 1 . . . . A 10 VAL H . 34220 1 79 . 1 1 10 10 VAL HA H 1 4.346 0.02 . 1 . . . . A 10 VAL HA . 34220 1 80 . 1 1 10 10 VAL HB H 1 2.052 0.02 . 1 . . . . A 10 VAL HB . 34220 1 81 . 1 1 10 10 VAL HG11 H 1 0.827 0.02 . 2 . . . . A 10 VAL HG11 . 34220 1 82 . 1 1 10 10 VAL HG12 H 1 0.827 0.02 . 2 . . . . A 10 VAL HG12 . 34220 1 83 . 1 1 10 10 VAL HG13 H 1 0.827 0.02 . 2 . . . . A 10 VAL HG13 . 34220 1 84 . 1 1 10 10 VAL HG21 H 1 0.814 0.02 . 2 . . . . A 10 VAL HG21 . 34220 1 85 . 1 1 10 10 VAL HG22 H 1 0.814 0.02 . 2 . . . . A 10 VAL HG22 . 34220 1 86 . 1 1 10 10 VAL HG23 H 1 0.814 0.02 . 2 . . . . A 10 VAL HG23 . 34220 1 87 . 1 1 10 10 VAL CA C 13 61.278 0.3 . 1 . . . . A 10 VAL CA . 34220 1 88 . 1 1 10 10 VAL CB C 13 33.555 0.3 . 1 . . . . A 10 VAL CB . 34220 1 89 . 1 1 10 10 VAL CG1 C 13 21.422 0.3 . 1 . . . . A 10 VAL CG1 . 34220 1 90 . 1 1 10 10 VAL CG2 C 13 19.58 0.3 . 1 . . . . A 10 VAL CG2 . 34220 1 91 . 1 1 10 10 VAL N N 15 120.893 0.3 . 1 . . . . A 10 VAL N . 34220 1 92 . 1 1 11 11 GLU H H 1 8.49 0.02 . 1 . . . . A 11 GLU H . 34220 1 93 . 1 1 11 11 GLU HA H 1 4.56 0.02 . 1 . . . . A 11 GLU HA . 34220 1 94 . 1 1 11 11 GLU HB2 H 1 1.851 0.02 . 2 . . . . A 11 GLU HB2 . 34220 1 95 . 1 1 11 11 GLU HB3 H 1 1.451 0.02 . 2 . . . . A 11 GLU HB3 . 34220 1 96 . 1 1 11 11 GLU HG2 H 1 2.146 0.02 . 2 . . . . A 11 GLU HG2 . 34220 1 97 . 1 1 11 11 GLU HG3 H 1 2.06 0.02 . 2 . . . . A 11 GLU HG3 . 34220 1 98 . 1 1 11 11 GLU CA C 13 54.626 0.3 . 1 . . . . A 11 GLU CA . 34220 1 99 . 1 1 11 11 GLU CB C 13 30.999 0.3 . 1 . . . . A 11 GLU CB . 34220 1 100 . 1 1 11 11 GLU CG C 13 34.616 0.3 . 1 . . . . A 11 GLU CG . 34220 1 101 . 1 1 11 11 GLU N N 15 124.439 0.3 . 1 . . . . A 11 GLU N . 34220 1 102 . 1 1 12 12 LYS H H 1 8.345 0.02 . 1 . . . . A 12 LYS H . 34220 1 103 . 1 1 12 12 LYS HA H 1 5.567 0.02 . 1 . . . . A 12 LYS HA . 34220 1 104 . 1 1 12 12 LYS HB2 H 1 1.634 0.02 . 1 . . . . A 12 LYS HB2 . 34220 1 105 . 1 1 12 12 LYS HB3 H 1 1.634 0.02 . 1 . . . . A 12 LYS HB3 . 34220 1 106 . 1 1 12 12 LYS HG2 H 1 1.278 0.02 . 2 . . . . A 12 LYS HG2 . 34220 1 107 . 1 1 12 12 LYS HG3 H 1 1.224 0.02 . 2 . . . . A 12 LYS HG3 . 34220 1 108 . 1 1 12 12 LYS HD2 H 1 1.578 0.02 . 1 . . . . A 12 LYS HD2 . 34220 1 109 . 1 1 12 12 LYS HD3 H 1 1.578 0.02 . 1 . . . . A 12 LYS HD3 . 34220 1 110 . 1 1 12 12 LYS HE2 H 1 2.812 0.02 . 1 . . . . A 12 LYS HE2 . 34220 1 111 . 1 1 12 12 LYS HE3 H 1 2.812 0.02 . 1 . . . . A 12 LYS HE3 . 34220 1 112 . 1 1 12 12 LYS CA C 13 54.442 0.3 . 1 . . . . A 12 LYS CA . 34220 1 113 . 1 1 12 12 LYS CB C 13 35.949 0.3 . 1 . . . . A 12 LYS CB . 34220 1 114 . 1 1 12 12 LYS CG C 13 24.626 0.3 . 1 . . . . A 12 LYS CG . 34220 1 115 . 1 1 12 12 LYS CD C 13 29.395 0.3 . 1 . . . . A 12 LYS CD . 34220 1 116 . 1 1 12 12 LYS CE C 13 41.807 0.3 . 1 . . . . A 12 LYS CE . 34220 1 117 . 1 1 12 12 LYS N N 15 121.79 0.3 . 1 . . . . A 12 LYS N . 34220 1 118 . 1 1 13 13 ILE H H 1 8.892 0.02 . 1 . . . . A 13 ILE H . 34220 1 119 . 1 1 13 13 ILE HA H 1 4.448 0.02 . 1 . . . . A 13 ILE HA . 34220 1 120 . 1 1 13 13 ILE HB H 1 1.639 0.02 . 1 . . . . A 13 ILE HB . 34220 1 121 . 1 1 13 13 ILE HG12 H 1 1.578 0.02 . 2 . . . . A 13 ILE HG12 . 34220 1 122 . 1 1 13 13 ILE HG13 H 1 1.079 0.02 . 2 . . . . A 13 ILE HG13 . 34220 1 123 . 1 1 13 13 ILE HG21 H 1 0.843 0.02 . 1 . . . . A 13 ILE HG21 . 34220 1 124 . 1 1 13 13 ILE HG22 H 1 0.843 0.02 . 1 . . . . A 13 ILE HG22 . 34220 1 125 . 1 1 13 13 ILE HG23 H 1 0.843 0.02 . 1 . . . . A 13 ILE HG23 . 34220 1 126 . 1 1 13 13 ILE HD11 H 1 0.775 0.02 . 1 . . . . A 13 ILE HD11 . 34220 1 127 . 1 1 13 13 ILE HD12 H 1 0.775 0.02 . 1 . . . . A 13 ILE HD12 . 34220 1 128 . 1 1 13 13 ILE HD13 H 1 0.775 0.02 . 1 . . . . A 13 ILE HD13 . 34220 1 129 . 1 1 13 13 ILE CA C 13 59.962 0.3 . 1 . . . . A 13 ILE CA . 34220 1 130 . 1 1 13 13 ILE CB C 13 42.776 0.3 . 1 . . . . A 13 ILE CB . 34220 1 131 . 1 1 13 13 ILE CG1 C 13 28.065 0.3 . 1 . . . . A 13 ILE CG1 . 34220 1 132 . 1 1 13 13 ILE CG2 C 13 17.793 0.3 . 1 . . . . A 13 ILE CG2 . 34220 1 133 . 1 1 13 13 ILE CD1 C 13 14.142 0.3 . 1 . . . . A 13 ILE CD1 . 34220 1 134 . 1 1 13 13 ILE N N 15 122.538 0.3 . 1 . . . . A 13 ILE N . 34220 1 135 . 1 1 14 14 LYS H H 1 8.523 0.02 . 1 . . . . A 14 LYS H . 34220 1 136 . 1 1 14 14 LYS HA H 1 5.071 0.02 . 1 . . . . A 14 LYS HA . 34220 1 137 . 1 1 14 14 LYS HB2 H 1 1.603 0.02 . 2 . . . . A 14 LYS HB2 . 34220 1 138 . 1 1 14 14 LYS HB3 H 1 1.561 0.02 . 2 . . . . A 14 LYS HB3 . 34220 1 139 . 1 1 14 14 LYS HG2 H 1 1.047 0.02 . 2 . . . . A 14 LYS HG2 . 34220 1 140 . 1 1 14 14 LYS HG3 H 1 0.876 0.02 . 2 . . . . A 14 LYS HG3 . 34220 1 141 . 1 1 14 14 LYS HD2 H 1 1.459 0.02 . 1 . . . . A 14 LYS HD2 . 34220 1 142 . 1 1 14 14 LYS HD3 H 1 1.459 0.02 . 1 . . . . A 14 LYS HD3 . 34220 1 143 . 1 1 14 14 LYS HE2 H 1 2.689 0.02 . 2 . . . . A 14 LYS HE2 . 34220 1 144 . 1 1 14 14 LYS HE3 H 1 2.613 0.02 . 2 . . . . A 14 LYS HE3 . 34220 1 145 . 1 1 14 14 LYS CA C 13 54.796 0.3 . 1 . . . . A 14 LYS CA . 34220 1 146 . 1 1 14 14 LYS CB C 13 34.422 0.3 . 1 . . . . A 14 LYS CB . 34220 1 147 . 1 1 14 14 LYS CG C 13 24.989 0.3 . 1 . . . . A 14 LYS CG . 34220 1 148 . 1 1 14 14 LYS CD C 13 29.224 0.3 . 1 . . . . A 14 LYS CD . 34220 1 149 . 1 1 14 14 LYS CE C 13 41.475 0.3 . 1 . . . . A 14 LYS CE . 34220 1 150 . 1 1 14 14 LYS N N 15 125.463 0.3 . 1 . . . . A 14 LYS N . 34220 1 151 . 1 1 15 15 GLN H H 1 9.064 0.02 . 1 . . . . A 15 GLN H . 34220 1 152 . 1 1 15 15 GLN HA H 1 4.677 0.02 . 1 . . . . A 15 GLN HA . 34220 1 153 . 1 1 15 15 GLN HB2 H 1 1.871 0.02 . 2 . . . . A 15 GLN HB2 . 34220 1 154 . 1 1 15 15 GLN HB3 H 1 1.748 0.02 . 2 . . . . A 15 GLN HB3 . 34220 1 155 . 1 1 15 15 GLN HG2 H 1 2.098 0.02 . 2 . . . . A 15 GLN HG2 . 34220 1 156 . 1 1 15 15 GLN HG3 H 1 2.052 0.02 . 2 . . . . A 15 GLN HG3 . 34220 1 157 . 1 1 15 15 GLN HE21 H 1 7.832 0.02 . 1 . . . . A 15 GLN HE21 . 34220 1 158 . 1 1 15 15 GLN HE22 H 1 7.219 0.02 . 1 . . . . A 15 GLN HE22 . 34220 1 159 . 1 1 15 15 GLN CA C 13 53.046 0.3 . 1 . . . . A 15 GLN CA . 34220 1 160 . 1 1 15 15 GLN CB C 13 32.344 0.3 . 1 . . . . A 15 GLN CB . 34220 1 161 . 1 1 15 15 GLN CG C 13 34.433 0.3 . 1 . . . . A 15 GLN CG . 34220 1 162 . 1 1 15 15 GLN N N 15 126.207 0.3 . 1 . . . . A 15 GLN N . 34220 1 163 . 1 1 15 15 GLN NE2 N 15 115.124 0.3 . 1 . . . . A 15 GLN NE2 . 34220 1 164 . 1 1 16 16 TRP H H 1 9.025 0.02 . 1 . . . . A 16 TRP H . 34220 1 165 . 1 1 16 16 TRP HA H 1 4.93 0.02 . 1 . . . . A 16 TRP HA . 34220 1 166 . 1 1 16 16 TRP HB2 H 1 3.079 0.02 . 2 . . . . A 16 TRP HB2 . 34220 1 167 . 1 1 16 16 TRP HB3 H 1 2.968 0.02 . 2 . . . . A 16 TRP HB3 . 34220 1 168 . 1 1 16 16 TRP HD1 H 1 7.333 0.02 . 1 . . . . A 16 TRP HD1 . 34220 1 169 . 1 1 16 16 TRP HE1 H 1 10.294 0.02 . 1 . . . . A 16 TRP HE1 . 34220 1 170 . 1 1 16 16 TRP HE3 H 1 7.177 0.02 . 1 . . . . A 16 TRP HE3 . 34220 1 171 . 1 1 16 16 TRP HZ2 H 1 7.479 0.02 . 1 . . . . A 16 TRP HZ2 . 34220 1 172 . 1 1 16 16 TRP HZ3 H 1 6.991 0.02 . 1 . . . . A 16 TRP HZ3 . 34220 1 173 . 1 1 16 16 TRP HH2 H 1 7.151 0.02 . 1 . . . . A 16 TRP HH2 . 34220 1 174 . 1 1 16 16 TRP CA C 13 57.538 0.3 . 1 . . . . A 16 TRP CA . 34220 1 175 . 1 1 16 16 TRP CB C 13 29.659 0.3 . 1 . . . . A 16 TRP CB . 34220 1 176 . 1 1 16 16 TRP CD1 C 13 127.726 0.3 . 1 . . . . A 16 TRP CD1 . 34220 1 177 . 1 1 16 16 TRP CE3 C 13 119.944 0.3 . 1 . . . . A 16 TRP CE3 . 34220 1 178 . 1 1 16 16 TRP CZ2 C 13 114.521 0.3 . 1 . . . . A 16 TRP CZ2 . 34220 1 179 . 1 1 16 16 TRP CZ3 C 13 121.866 0.3 . 1 . . . . A 16 TRP CZ3 . 34220 1 180 . 1 1 16 16 TRP CH2 C 13 124.376 0.3 . 1 . . . . A 16 TRP CH2 . 34220 1 181 . 1 1 16 16 TRP N N 15 128.192 0.3 . 1 . . . . A 16 TRP N . 34220 1 182 . 1 1 16 16 TRP NE1 N 15 129.785 0.3 . 1 . . . . A 16 TRP NE1 . 34220 1 183 . 1 1 17 17 ILE H H 1 9.124 0.02 . 1 . . . . A 17 ILE H . 34220 1 184 . 1 1 17 17 ILE HA H 1 5.088 0.02 . 1 . . . . A 17 ILE HA . 34220 1 185 . 1 1 17 17 ILE HB H 1 2.026 0.02 . 1 . . . . A 17 ILE HB . 34220 1 186 . 1 1 17 17 ILE HG12 H 1 1.384 0.02 . 2 . . . . A 17 ILE HG12 . 34220 1 187 . 1 1 17 17 ILE HG13 H 1 1.109 0.02 . 2 . . . . A 17 ILE HG13 . 34220 1 188 . 1 1 17 17 ILE HG21 H 1 0.884 0.02 . 1 . . . . A 17 ILE HG21 . 34220 1 189 . 1 1 17 17 ILE HG22 H 1 0.884 0.02 . 1 . . . . A 17 ILE HG22 . 34220 1 190 . 1 1 17 17 ILE HG23 H 1 0.884 0.02 . 1 . . . . A 17 ILE HG23 . 34220 1 191 . 1 1 17 17 ILE HD11 H 1 0.643 0.02 . 1 . . . . A 17 ILE HD11 . 34220 1 192 . 1 1 17 17 ILE HD12 H 1 0.643 0.02 . 1 . . . . A 17 ILE HD12 . 34220 1 193 . 1 1 17 17 ILE HD13 H 1 0.643 0.02 . 1 . . . . A 17 ILE HD13 . 34220 1 194 . 1 1 17 17 ILE CA C 13 57.83 0.3 . 1 . . . . A 17 ILE CA . 34220 1 195 . 1 1 17 17 ILE CB C 13 39.249 0.3 . 1 . . . . A 17 ILE CB . 34220 1 196 . 1 1 17 17 ILE CG1 C 13 24.665 0.3 . 1 . . . . A 17 ILE CG1 . 34220 1 197 . 1 1 17 17 ILE CG2 C 13 17.5 0.3 . 1 . . . . A 17 ILE CG2 . 34220 1 198 . 1 1 17 17 ILE CD1 C 13 13.98 0.3 . 1 . . . . A 17 ILE CD1 . 34220 1 199 . 1 1 17 17 ILE N N 15 119.549 0.3 . 1 . . . . A 17 ILE N . 34220 1 200 . 1 1 18 18 PRO HA H 1 4.781 0.02 . 1 . . . . A 18 PRO HA . 34220 1 201 . 1 1 18 18 PRO HB2 H 1 2.549 0.02 . 2 . . . . A 18 PRO HB2 . 34220 1 202 . 1 1 18 18 PRO HB3 H 1 1.937 0.02 . 2 . . . . A 18 PRO HB3 . 34220 1 203 . 1 1 18 18 PRO HG2 H 1 2.246 0.02 . 2 . . . . A 18 PRO HG2 . 34220 1 204 . 1 1 18 18 PRO HG3 H 1 2.057 0.02 . 2 . . . . A 18 PRO HG3 . 34220 1 205 . 1 1 18 18 PRO HD2 H 1 3.953 0.02 . 2 . . . . A 18 PRO HD2 . 34220 1 206 . 1 1 18 18 PRO HD3 H 1 3.601 0.02 . 2 . . . . A 18 PRO HD3 . 34220 1 207 . 1 1 18 18 PRO CA C 13 63.062 0.3 . 1 . . . . A 18 PRO CA . 34220 1 208 . 1 1 18 18 PRO CB C 13 31.848 0.3 . 1 . . . . A 18 PRO CB . 34220 1 209 . 1 1 18 18 PRO CG C 13 28.35 0.3 . 1 . . . . A 18 PRO CG . 34220 1 210 . 1 1 18 18 PRO CD C 13 50.674 0.3 . 1 . . . . A 18 PRO CD . 34220 1 211 . 1 1 19 19 THR H H 1 9.168 0.02 . 1 . . . . A 19 THR H . 34220 1 212 . 1 1 19 19 THR HA H 1 3.904 0.02 . 1 . . . . A 19 THR HA . 34220 1 213 . 1 1 19 19 THR HB H 1 3.888 0.02 . 1 . . . . A 19 THR HB . 34220 1 214 . 1 1 19 19 THR HG21 H 1 1.211 0.02 . 1 . . . . A 19 THR HG21 . 34220 1 215 . 1 1 19 19 THR HG22 H 1 1.211 0.02 . 1 . . . . A 19 THR HG22 . 34220 1 216 . 1 1 19 19 THR HG23 H 1 1.211 0.02 . 1 . . . . A 19 THR HG23 . 34220 1 217 . 1 1 19 19 THR CA C 13 66.408 0.3 . 1 . . . . A 19 THR CA . 34220 1 218 . 1 1 19 19 THR CB C 13 68.864 0.3 . 1 . . . . A 19 THR CB . 34220 1 219 . 1 1 19 19 THR CG2 C 13 22.217 0.3 . 1 . . . . A 19 THR CG2 . 34220 1 220 . 1 1 19 19 THR N N 15 124.793 0.3 . 1 . . . . A 19 THR N . 34220 1 221 . 1 1 20 20 THR H H 1 8 0.02 . 1 . . . . A 20 THR H . 34220 1 222 . 1 1 20 20 THR HA H 1 4.127 0.02 . 1 . . . . A 20 THR HA . 34220 1 223 . 1 1 20 20 THR HB H 1 4.393 0.02 . 1 . . . . A 20 THR HB . 34220 1 224 . 1 1 20 20 THR HG21 H 1 1.35 0.02 . 1 . . . . A 20 THR HG21 . 34220 1 225 . 1 1 20 20 THR HG22 H 1 1.35 0.02 . 1 . . . . A 20 THR HG22 . 34220 1 226 . 1 1 20 20 THR HG23 H 1 1.35 0.02 . 1 . . . . A 20 THR HG23 . 34220 1 227 . 1 1 20 20 THR CA C 13 63.895 0.3 . 1 . . . . A 20 THR CA . 34220 1 228 . 1 1 20 20 THR CB C 13 68.502 0.3 . 1 . . . . A 20 THR CB . 34220 1 229 . 1 1 20 20 THR CG2 C 13 22.177 0.3 . 1 . . . . A 20 THR CG2 . 34220 1 230 . 1 1 20 20 THR N N 15 109.879 0.3 . 1 . . . . A 20 THR N . 34220 1 231 . 1 1 21 21 GLU H H 1 7.974 0.02 . 1 . . . . A 21 GLU H . 34220 1 232 . 1 1 21 21 GLU HA H 1 4.682 0.02 . 1 . . . . A 21 GLU HA . 34220 1 233 . 1 1 21 21 GLU HB2 H 1 2.548 0.02 . 2 . . . . A 21 GLU HB2 . 34220 1 234 . 1 1 21 21 GLU HB3 H 1 1.987 0.02 . 2 . . . . A 21 GLU HB3 . 34220 1 235 . 1 1 21 21 GLU HG2 H 1 2.446 0.02 . 2 . . . . A 21 GLU HG2 . 34220 1 236 . 1 1 21 21 GLU HG3 H 1 2.232 0.02 . 2 . . . . A 21 GLU HG3 . 34220 1 237 . 1 1 21 21 GLU CA C 13 55.835 0.3 . 1 . . . . A 21 GLU CA . 34220 1 238 . 1 1 21 21 GLU CB C 13 30.742 0.3 . 1 . . . . A 21 GLU CB . 34220 1 239 . 1 1 21 21 GLU CG C 13 35.751 0.3 . 1 . . . . A 21 GLU CG . 34220 1 240 . 1 1 21 21 GLU N N 15 118.795 0.3 . 1 . . . . A 21 GLU N . 34220 1 241 . 1 1 22 22 VAL H H 1 7.514 0.02 . 1 . . . . A 22 VAL H . 34220 1 242 . 1 1 22 22 VAL HA H 1 3.474 0.02 . 1 . . . . A 22 VAL HA . 34220 1 243 . 1 1 22 22 VAL HB H 1 2.181 0.02 . 1 . . . . A 22 VAL HB . 34220 1 244 . 1 1 22 22 VAL HG11 H 1 1.094 0.02 . 2 . . . . A 22 VAL HG11 . 34220 1 245 . 1 1 22 22 VAL HG12 H 1 1.094 0.02 . 2 . . . . A 22 VAL HG12 . 34220 1 246 . 1 1 22 22 VAL HG13 H 1 1.094 0.02 . 2 . . . . A 22 VAL HG13 . 34220 1 247 . 1 1 22 22 VAL HG21 H 1 0.982 0.02 . 2 . . . . A 22 VAL HG21 . 34220 1 248 . 1 1 22 22 VAL HG22 H 1 0.982 0.02 . 2 . . . . A 22 VAL HG22 . 34220 1 249 . 1 1 22 22 VAL HG23 H 1 0.982 0.02 . 2 . . . . A 22 VAL HG23 . 34220 1 250 . 1 1 22 22 VAL CA C 13 66.529 0.3 . 1 . . . . A 22 VAL CA . 34220 1 251 . 1 1 22 22 VAL CB C 13 31.761 0.3 . 1 . . . . A 22 VAL CB . 34220 1 252 . 1 1 22 22 VAL CG1 C 13 23.077 0.3 . 1 . . . . A 22 VAL CG1 . 34220 1 253 . 1 1 22 22 VAL CG2 C 13 21.987 0.3 . 1 . . . . A 22 VAL CG2 . 34220 1 254 . 1 1 22 22 VAL N N 15 119.291 0.3 . 1 . . . . A 22 VAL N . 34220 1 255 . 1 1 23 23 GLY H H 1 8.769 0.02 . 1 . . . . A 23 GLY H . 34220 1 256 . 1 1 23 23 GLY HA2 H 1 3.927 0.02 . 2 . . . . A 23 GLY HA2 . 34220 1 257 . 1 1 23 23 GLY HA3 H 1 3.878 0.02 . 2 . . . . A 23 GLY HA3 . 34220 1 258 . 1 1 23 23 GLY CA C 13 46.47 0.3 . 1 . . . . A 23 GLY CA . 34220 1 259 . 1 1 23 23 GLY N N 15 108.294 0.3 . 1 . . . . A 23 GLY N . 34220 1 260 . 1 1 24 24 LYS H H 1 7.856 0.02 . 1 . . . . A 24 LYS H . 34220 1 261 . 1 1 24 24 LYS HA H 1 4.129 0.02 . 1 . . . . A 24 LYS HA . 34220 1 262 . 1 1 24 24 LYS HB2 H 1 2 0.02 . 2 . . . . A 24 LYS HB2 . 34220 1 263 . 1 1 24 24 LYS HB3 H 1 1.849 0.02 . 2 . . . . A 24 LYS HB3 . 34220 1 264 . 1 1 24 24 LYS HG2 H 1 1.514 0.02 . 1 . . . . A 24 LYS HG2 . 34220 1 265 . 1 1 24 24 LYS HG3 H 1 1.514 0.02 . 1 . . . . A 24 LYS HG3 . 34220 1 266 . 1 1 24 24 LYS HD2 H 1 1.778 0.02 . 2 . . . . A 24 LYS HD2 . 34220 1 267 . 1 1 24 24 LYS HD3 H 1 1.825 0.02 . 2 . . . . A 24 LYS HD3 . 34220 1 268 . 1 1 24 24 LYS HE2 H 1 3.119 0.02 . 2 . . . . A 24 LYS HE2 . 34220 1 269 . 1 1 24 24 LYS HE3 H 1 3.093 0.02 . 2 . . . . A 24 LYS HE3 . 34220 1 270 . 1 1 24 24 LYS CA C 13 58.903 0.3 . 1 . . . . A 24 LYS CA . 34220 1 271 . 1 1 24 24 LYS CB C 13 32.908 0.3 . 1 . . . . A 24 LYS CB . 34220 1 272 . 1 1 24 24 LYS CG C 13 26.171 0.3 . 1 . . . . A 24 LYS CG . 34220 1 273 . 1 1 24 24 LYS CD C 13 29.647 0.3 . 1 . . . . A 24 LYS CD . 34220 1 274 . 1 1 24 24 LYS CE C 13 42.427 0.3 . 1 . . . . A 24 LYS CE . 34220 1 275 . 1 1 24 24 LYS N N 15 120.635 0.3 . 1 . . . . A 24 LYS N . 34220 1 276 . 1 1 25 25 ILE H H 1 7.489 0.02 . 1 . . . . A 25 ILE H . 34220 1 277 . 1 1 25 25 ILE HA H 1 4.123 0.02 . 1 . . . . A 25 ILE HA . 34220 1 278 . 1 1 25 25 ILE HB H 1 1.842 0.02 . 1 . . . . A 25 ILE HB . 34220 1 279 . 1 1 25 25 ILE HG12 H 1 1.516 0.02 . 2 . . . . A 25 ILE HG12 . 34220 1 280 . 1 1 25 25 ILE HG13 H 1 1.013 0.02 . 2 . . . . A 25 ILE HG13 . 34220 1 281 . 1 1 25 25 ILE HG21 H 1 0.799 0.02 . 1 . . . . A 25 ILE HG21 . 34220 1 282 . 1 1 25 25 ILE HG22 H 1 0.799 0.02 . 1 . . . . A 25 ILE HG22 . 34220 1 283 . 1 1 25 25 ILE HG23 H 1 0.799 0.02 . 1 . . . . A 25 ILE HG23 . 34220 1 284 . 1 1 25 25 ILE HD11 H 1 0.751 0.02 . 1 . . . . A 25 ILE HD11 . 34220 1 285 . 1 1 25 25 ILE HD12 H 1 0.751 0.02 . 1 . . . . A 25 ILE HD12 . 34220 1 286 . 1 1 25 25 ILE HD13 H 1 0.751 0.02 . 1 . . . . A 25 ILE HD13 . 34220 1 287 . 1 1 25 25 ILE CA C 13 62.303 0.3 . 1 . . . . A 25 ILE CA . 34220 1 288 . 1 1 25 25 ILE CB C 13 39.51 0.3 . 1 . . . . A 25 ILE CB . 34220 1 289 . 1 1 25 25 ILE CG1 C 13 28.075 0.3 . 1 . . . . A 25 ILE CG1 . 34220 1 290 . 1 1 25 25 ILE CG2 C 13 17.57 0.3 . 1 . . . . A 25 ILE CG2 . 34220 1 291 . 1 1 25 25 ILE CD1 C 13 13.742 0.3 . 1 . . . . A 25 ILE CD1 . 34220 1 292 . 1 1 25 25 ILE N N 15 112.973 0.3 . 1 . . . . A 25 ILE N . 34220 1 293 . 1 1 26 26 LEU H H 1 7.804 0.02 . 1 . . . . A 26 LEU H . 34220 1 294 . 1 1 26 26 LEU HA H 1 4.393 0.02 . 1 . . . . A 26 LEU HA . 34220 1 295 . 1 1 26 26 LEU HB2 H 1 1.765 0.02 . 2 . . . . A 26 LEU HB2 . 34220 1 296 . 1 1 26 26 LEU HB3 H 1 1.603 0.02 . 2 . . . . A 26 LEU HB3 . 34220 1 297 . 1 1 26 26 LEU HG H 1 1.603 0.02 . 1 . . . . A 26 LEU HG . 34220 1 298 . 1 1 26 26 LEU HD11 H 1 0.865 0.02 . 2 . . . . A 26 LEU HD11 . 34220 1 299 . 1 1 26 26 LEU HD12 H 1 0.865 0.02 . 2 . . . . A 26 LEU HD12 . 34220 1 300 . 1 1 26 26 LEU HD13 H 1 0.865 0.02 . 2 . . . . A 26 LEU HD13 . 34220 1 301 . 1 1 26 26 LEU HD21 H 1 0.859 0.02 . 2 . . . . A 26 LEU HD21 . 34220 1 302 . 1 1 26 26 LEU HD22 H 1 0.859 0.02 . 2 . . . . A 26 LEU HD22 . 34220 1 303 . 1 1 26 26 LEU HD23 H 1 0.859 0.02 . 2 . . . . A 26 LEU HD23 . 34220 1 304 . 1 1 26 26 LEU CA C 13 54.674 0.3 . 1 . . . . A 26 LEU CA . 34220 1 305 . 1 1 26 26 LEU CB C 13 42.697 0.3 . 1 . . . . A 26 LEU CB . 34220 1 306 . 1 1 26 26 LEU CG C 13 26.763 0.3 . 1 . . . . A 26 LEU CG . 34220 1 307 . 1 1 26 26 LEU CD1 C 13 22.29 0.3 . 1 . . . . A 26 LEU CD1 . 34220 1 308 . 1 1 26 26 LEU CD2 C 13 25.289 0.3 . 1 . . . . A 26 LEU CD2 . 34220 1 309 . 1 1 26 26 LEU N N 15 114.935 0.3 . 1 . . . . A 26 LEU N . 34220 1 310 . 1 1 27 27 GLY H H 1 8.185 0.02 . 1 . . . . A 27 GLY H . 34220 1 311 . 1 1 27 27 GLY HA2 H 1 4.124 0.02 . 2 . . . . A 27 GLY HA2 . 34220 1 312 . 1 1 27 27 GLY HA3 H 1 4.014 0.02 . 2 . . . . A 27 GLY HA3 . 34220 1 313 . 1 1 27 27 GLY CA C 13 45.086 0.3 . 1 . . . . A 27 GLY CA . 34220 1 314 . 1 1 27 27 GLY N N 15 108.45 0.3 . 1 . . . . A 27 GLY N . 34220 1 315 . 1 1 28 28 ASN H H 1 9.306 0.02 . 1 . . . . A 28 ASN H . 34220 1 316 . 1 1 28 28 ASN HA H 1 4.382 0.02 . 1 . . . . A 28 ASN HA . 34220 1 317 . 1 1 28 28 ASN HB2 H 1 3.074 0.02 . 2 . . . . A 28 ASN HB2 . 34220 1 318 . 1 1 28 28 ASN HB3 H 1 2.719 0.02 . 2 . . . . A 28 ASN HB3 . 34220 1 319 . 1 1 28 28 ASN HD21 H 1 7.674 0.02 . 1 . . . . A 28 ASN HD21 . 34220 1 320 . 1 1 28 28 ASN HD22 H 1 6.902 0.02 . 1 . . . . A 28 ASN HD22 . 34220 1 321 . 1 1 28 28 ASN CA C 13 53.899 0.3 . 1 . . . . A 28 ASN CA . 34220 1 322 . 1 1 28 28 ASN CB C 13 36.625 0.3 . 1 . . . . A 28 ASN CB . 34220 1 323 . 1 1 28 28 ASN N N 15 120.165 0.3 . 1 . . . . A 28 ASN N . 34220 1 324 . 1 1 28 28 ASN ND2 N 15 112.576 0.3 . 1 . . . . A 28 ASN ND2 . 34220 1 325 . 1 1 29 29 ARG H H 1 9.167 0.02 . 1 . . . . A 29 ARG H . 34220 1 326 . 1 1 29 29 ARG HA H 1 3.885 0.02 . 1 . . . . A 29 ARG HA . 34220 1 327 . 1 1 29 29 ARG HB2 H 1 1.941 0.02 . 1 . . . . A 29 ARG HB2 . 34220 1 328 . 1 1 29 29 ARG HB3 H 1 1.941 0.02 . 1 . . . . A 29 ARG HB3 . 34220 1 329 . 1 1 29 29 ARG HG2 H 1 1.61 0.02 . 1 . . . . A 29 ARG HG2 . 34220 1 330 . 1 1 29 29 ARG HG3 H 1 1.61 0.02 . 1 . . . . A 29 ARG HG3 . 34220 1 331 . 1 1 29 29 ARG HD2 H 1 3.217 0.02 . 1 . . . . A 29 ARG HD2 . 34220 1 332 . 1 1 29 29 ARG HD3 H 1 3.217 0.02 . 1 . . . . A 29 ARG HD3 . 34220 1 333 . 1 1 29 29 ARG HH11 H 1 7.194 0.02 . 1 . . . . A 29 ARG HH11 . 34220 1 334 . 1 1 29 29 ARG CA C 13 56.953 0.3 . 1 . . . . A 29 ARG CA . 34220 1 335 . 1 1 29 29 ARG CB C 13 26.759 0.3 . 1 . . . . A 29 ARG CB . 34220 1 336 . 1 1 29 29 ARG CG C 13 27.555 0.3 . 1 . . . . A 29 ARG CG . 34220 1 337 . 1 1 29 29 ARG CD C 13 43.466 0.3 . 1 . . . . A 29 ARG CD . 34220 1 338 . 1 1 29 29 ARG N N 15 114.872 0.3 . 1 . . . . A 29 ARG N . 34220 1 339 . 1 1 29 29 ARG NH1 N 15 85.173 0.3 . 1 . . . . A 29 ARG NH1 . 34220 1 340 . 1 1 30 30 ALA H H 1 7.587 0.02 . 1 . . . . A 30 ALA H . 34220 1 341 . 1 1 30 30 ALA HA H 1 4.082 0.02 . 1 . . . . A 30 ALA HA . 34220 1 342 . 1 1 30 30 ALA HB1 H 1 1.521 0.02 . 1 . . . . A 30 ALA HB1 . 34220 1 343 . 1 1 30 30 ALA HB2 H 1 1.521 0.02 . 1 . . . . A 30 ALA HB2 . 34220 1 344 . 1 1 30 30 ALA HB3 H 1 1.521 0.02 . 1 . . . . A 30 ALA HB3 . 34220 1 345 . 1 1 30 30 ALA CA C 13 51.794 0.3 . 1 . . . . A 30 ALA CA . 34220 1 346 . 1 1 30 30 ALA CB C 13 17.098 0.3 . 1 . . . . A 30 ALA CB . 34220 1 347 . 1 1 30 30 ALA N N 15 119.234 0.3 . 1 . . . . A 30 ALA N . 34220 1 348 . 1 1 31 31 ALA H H 1 7.392 0.02 . 1 . . . . A 31 ALA H . 34220 1 349 . 1 1 31 31 ALA HA H 1 3.976 0.02 . 1 . . . . A 31 ALA HA . 34220 1 350 . 1 1 31 31 ALA HB1 H 1 1.572 0.02 . 1 . . . . A 31 ALA HB1 . 34220 1 351 . 1 1 31 31 ALA HB2 H 1 1.572 0.02 . 1 . . . . A 31 ALA HB2 . 34220 1 352 . 1 1 31 31 ALA HB3 H 1 1.572 0.02 . 1 . . . . A 31 ALA HB3 . 34220 1 353 . 1 1 31 31 ALA CA C 13 56.212 0.3 . 1 . . . . A 31 ALA CA . 34220 1 354 . 1 1 31 31 ALA CB C 13 18.542 0.3 . 1 . . . . A 31 ALA CB . 34220 1 355 . 1 1 31 31 ALA N N 15 120.291 0.3 . 1 . . . . A 31 ALA N . 34220 1 356 . 1 1 32 32 VAL H H 1 9.077 0.02 . 1 . . . . A 32 VAL H . 34220 1 357 . 1 1 32 32 VAL HA H 1 3.809 0.02 . 1 . . . . A 32 VAL HA . 34220 1 358 . 1 1 32 32 VAL HB H 1 2.22 0.02 . 1 . . . . A 32 VAL HB . 34220 1 359 . 1 1 32 32 VAL HG11 H 1 1.113 0.02 . 2 . . . . A 32 VAL HG11 . 34220 1 360 . 1 1 32 32 VAL HG12 H 1 1.113 0.02 . 2 . . . . A 32 VAL HG12 . 34220 1 361 . 1 1 32 32 VAL HG13 H 1 1.113 0.02 . 2 . . . . A 32 VAL HG13 . 34220 1 362 . 1 1 32 32 VAL HG21 H 1 1.009 0.02 . 2 . . . . A 32 VAL HG21 . 34220 1 363 . 1 1 32 32 VAL HG22 H 1 1.009 0.02 . 2 . . . . A 32 VAL HG22 . 34220 1 364 . 1 1 32 32 VAL HG23 H 1 1.009 0.02 . 2 . . . . A 32 VAL HG23 . 34220 1 365 . 1 1 32 32 VAL CA C 13 66.341 0.3 . 1 . . . . A 32 VAL CA . 34220 1 366 . 1 1 32 32 VAL CB C 13 31.453 0.3 . 1 . . . . A 32 VAL CB . 34220 1 367 . 1 1 32 32 VAL CG1 C 13 23.242 0.3 . 1 . . . . A 32 VAL CG1 . 34220 1 368 . 1 1 32 32 VAL CG2 C 13 21.996 0.3 . 1 . . . . A 32 VAL CG2 . 34220 1 369 . 1 1 32 32 VAL N N 15 118.726 0.3 . 1 . . . . A 32 VAL N . 34220 1 370 . 1 1 33 33 LYS H H 1 7.01 0.02 . 1 . . . . A 33 LYS H . 34220 1 371 . 1 1 33 33 LYS HA H 1 3.588 0.02 . 1 . . . . A 33 LYS HA . 34220 1 372 . 1 1 33 33 LYS HB2 H 1 2.143 0.02 . 2 . . . . A 33 LYS HB2 . 34220 1 373 . 1 1 33 33 LYS HB3 H 1 1.808 0.02 . 2 . . . . A 33 LYS HB3 . 34220 1 374 . 1 1 33 33 LYS HG2 H 1 1.365 0.02 . 2 . . . . A 33 LYS HG2 . 34220 1 375 . 1 1 33 33 LYS HG3 H 1 1.161 0.02 . 2 . . . . A 33 LYS HG3 . 34220 1 376 . 1 1 33 33 LYS HD2 H 1 1.478 0.02 . 1 . . . . A 33 LYS HD2 . 34220 1 377 . 1 1 33 33 LYS HD3 H 1 1.478 0.02 . 1 . . . . A 33 LYS HD3 . 34220 1 378 . 1 1 33 33 LYS HE2 H 1 3.049 0.02 . 2 . . . . A 33 LYS HE2 . 34220 1 379 . 1 1 33 33 LYS HE3 H 1 2.927 0.02 . 2 . . . . A 33 LYS HE3 . 34220 1 380 . 1 1 33 33 LYS CA C 13 60.724 0.3 . 1 . . . . A 33 LYS CA . 34220 1 381 . 1 1 33 33 LYS CB C 13 33.182 0.3 . 1 . . . . A 33 LYS CB . 34220 1 382 . 1 1 33 33 LYS CG C 13 24.981 0.3 . 1 . . . . A 33 LYS CG . 34220 1 383 . 1 1 33 33 LYS CD C 13 29.164 0.3 . 1 . . . . A 33 LYS CD . 34220 1 384 . 1 1 33 33 LYS CE C 13 41.33 0.3 . 1 . . . . A 33 LYS CE . 34220 1 385 . 1 1 33 33 LYS N N 15 119.997 0.3 . 1 . . . . A 33 LYS N . 34220 1 386 . 1 1 34 34 LYS H H 1 8.524 0.02 . 1 . . . . A 34 LYS H . 34220 1 387 . 1 1 34 34 LYS HA H 1 4.317 0.02 . 1 . . . . A 34 LYS HA . 34220 1 388 . 1 1 34 34 LYS HB2 H 1 1.959 0.02 . 2 . . . . A 34 LYS HB2 . 34220 1 389 . 1 1 34 34 LYS HB3 H 1 1.903 0.02 . 2 . . . . A 34 LYS HB3 . 34220 1 390 . 1 1 34 34 LYS HG2 H 1 1.715 0.02 . 2 . . . . A 34 LYS HG2 . 34220 1 391 . 1 1 34 34 LYS HG3 H 1 1.614 0.02 . 2 . . . . A 34 LYS HG3 . 34220 1 392 . 1 1 34 34 LYS HD2 H 1 1.71 0.02 . 1 . . . . A 34 LYS HD2 . 34220 1 393 . 1 1 34 34 LYS HD3 H 1 1.71 0.02 . 1 . . . . A 34 LYS HD3 . 34220 1 394 . 1 1 34 34 LYS HE2 H 1 3.048 0.02 . 1 . . . . A 34 LYS HE2 . 34220 1 395 . 1 1 34 34 LYS HE3 H 1 3.048 0.02 . 1 . . . . A 34 LYS HE3 . 34220 1 396 . 1 1 34 34 LYS CA C 13 59.047 0.3 . 1 . . . . A 34 LYS CA . 34220 1 397 . 1 1 34 34 LYS CB C 13 32.275 0.3 . 1 . . . . A 34 LYS CB . 34220 1 398 . 1 1 34 34 LYS CG C 13 25.939 0.3 . 1 . . . . A 34 LYS CG . 34220 1 399 . 1 1 34 34 LYS CD C 13 29.124 0.3 . 1 . . . . A 34 LYS CD . 34220 1 400 . 1 1 34 34 LYS CE C 13 42.19 0.3 . 1 . . . . A 34 LYS CE . 34220 1 401 . 1 1 34 34 LYS N N 15 115.461 0.3 . 1 . . . . A 34 LYS N . 34220 1 402 . 1 1 35 35 HIS H H 1 8.167 0.02 . 1 . . . . A 35 HIS H . 34220 1 403 . 1 1 35 35 HIS HA H 1 4.354 0.02 . 1 . . . . A 35 HIS HA . 34220 1 404 . 1 1 35 35 HIS HB2 H 1 3.593 0.02 . 2 . . . . A 35 HIS HB2 . 34220 1 405 . 1 1 35 35 HIS HB3 H 1 3.393 0.02 . 2 . . . . A 35 HIS HB3 . 34220 1 406 . 1 1 35 35 HIS HD2 H 1 7.18 0.02 . 1 . . . . A 35 HIS HD2 . 34220 1 407 . 1 1 35 35 HIS HE1 H 1 8.501 0.02 . 1 . . . . A 35 HIS HE1 . 34220 1 408 . 1 1 35 35 HIS CA C 13 59.174 0.3 . 1 . . . . A 35 HIS CA . 34220 1 409 . 1 1 35 35 HIS CB C 13 28.383 0.3 . 1 . . . . A 35 HIS CB . 34220 1 410 . 1 1 35 35 HIS CD2 C 13 119.797 0.3 . 1 . . . . A 35 HIS CD2 . 34220 1 411 . 1 1 35 35 HIS CE1 C 13 136.588 0.3 . 1 . . . . A 35 HIS CE1 . 34220 1 412 . 1 1 35 35 HIS N N 15 118.578 0.3 . 1 . . . . A 35 HIS N . 34220 1 413 . 1 1 36 36 ILE H H 1 8.285 0.02 . 1 . . . . A 36 ILE H . 34220 1 414 . 1 1 36 36 ILE HA H 1 3.723 0.02 . 1 . . . . A 36 ILE HA . 34220 1 415 . 1 1 36 36 ILE HB H 1 1.843 0.02 . 1 . . . . A 36 ILE HB . 34220 1 416 . 1 1 36 36 ILE HG12 H 1 1.102 0.02 . 1 . . . . A 36 ILE HG12 . 34220 1 417 . 1 1 36 36 ILE HG13 H 1 1.102 0.02 . 1 . . . . A 36 ILE HG13 . 34220 1 418 . 1 1 36 36 ILE HG21 H 1 1.04 0.02 . 1 . . . . A 36 ILE HG21 . 34220 1 419 . 1 1 36 36 ILE HG22 H 1 1.04 0.02 . 1 . . . . A 36 ILE HG22 . 34220 1 420 . 1 1 36 36 ILE HG23 H 1 1.04 0.02 . 1 . . . . A 36 ILE HG23 . 34220 1 421 . 1 1 36 36 ILE HD11 H 1 0.751 0.02 . 1 . . . . A 36 ILE HD11 . 34220 1 422 . 1 1 36 36 ILE HD12 H 1 0.751 0.02 . 1 . . . . A 36 ILE HD12 . 34220 1 423 . 1 1 36 36 ILE HD13 H 1 0.751 0.02 . 1 . . . . A 36 ILE HD13 . 34220 1 424 . 1 1 36 36 ILE CA C 13 65.798 0.3 . 1 . . . . A 36 ILE CA . 34220 1 425 . 1 1 36 36 ILE CB C 13 38.435 0.3 . 1 . . . . A 36 ILE CB . 34220 1 426 . 1 1 36 36 ILE CG1 C 13 29.15 0.3 . 1 . . . . A 36 ILE CG1 . 34220 1 427 . 1 1 36 36 ILE CG2 C 13 19.048 0.3 . 1 . . . . A 36 ILE CG2 . 34220 1 428 . 1 1 36 36 ILE CD1 C 13 13.751 0.3 . 1 . . . . A 36 ILE CD1 . 34220 1 429 . 1 1 36 36 ILE N N 15 121.39 0.3 . 1 . . . . A 36 ILE N . 34220 1 430 . 1 1 37 37 GLU H H 1 8.469 0.02 . 1 . . . . A 37 GLU H . 34220 1 431 . 1 1 37 37 GLU HA H 1 4.489 0.02 . 1 . . . . A 37 GLU HA . 34220 1 432 . 1 1 37 37 GLU HB2 H 1 2.312 0.02 . 2 . . . . A 37 GLU HB2 . 34220 1 433 . 1 1 37 37 GLU HB3 H 1 2.175 0.02 . 2 . . . . A 37 GLU HB3 . 34220 1 434 . 1 1 37 37 GLU HG2 H 1 2.704 0.02 . 2 . . . . A 37 GLU HG2 . 34220 1 435 . 1 1 37 37 GLU HG3 H 1 2.236 0.02 . 2 . . . . A 37 GLU HG3 . 34220 1 436 . 1 1 37 37 GLU CA C 13 59.402 0.3 . 1 . . . . A 37 GLU CA . 34220 1 437 . 1 1 37 37 GLU CB C 13 29.943 0.3 . 1 . . . . A 37 GLU CB . 34220 1 438 . 1 1 37 37 GLU CG C 13 37.906 0.3 . 1 . . . . A 37 GLU CG . 34220 1 439 . 1 1 37 37 GLU N N 15 119.051 0.3 . 1 . . . . A 37 GLU N . 34220 1 440 . 1 1 38 38 ARG H H 1 7.865 0.02 . 1 . . . . A 38 ARG H . 34220 1 441 . 1 1 38 38 ARG HA H 1 4.197 0.02 . 1 . . . . A 38 ARG HA . 34220 1 442 . 1 1 38 38 ARG HB2 H 1 1.933 0.02 . 2 . . . . A 38 ARG HB2 . 34220 1 443 . 1 1 38 38 ARG HB3 H 1 1.869 0.02 . 2 . . . . A 38 ARG HB3 . 34220 1 444 . 1 1 38 38 ARG HG2 H 1 1.758 0.02 . 2 . . . . A 38 ARG HG2 . 34220 1 445 . 1 1 38 38 ARG HG3 H 1 1.661 0.02 . 2 . . . . A 38 ARG HG3 . 34220 1 446 . 1 1 38 38 ARG HD2 H 1 3.214 0.02 . 2 . . . . A 38 ARG HD2 . 34220 1 447 . 1 1 38 38 ARG HD3 H 1 3.117 0.02 . 2 . . . . A 38 ARG HD3 . 34220 1 448 . 1 1 38 38 ARG HH11 H 1 7.276 0.02 . 1 . . . . A 38 ARG HH11 . 34220 1 449 . 1 1 38 38 ARG CA C 13 58.05 0.3 . 1 . . . . A 38 ARG CA . 34220 1 450 . 1 1 38 38 ARG CB C 13 30.103 0.3 . 1 . . . . A 38 ARG CB . 34220 1 451 . 1 1 38 38 ARG CG C 13 27.114 0.3 . 1 . . . . A 38 ARG CG . 34220 1 452 . 1 1 38 38 ARG CD C 13 43.212 0.3 . 1 . . . . A 38 ARG CD . 34220 1 453 . 1 1 38 38 ARG N N 15 115.908 0.3 . 1 . . . . A 38 ARG N . 34220 1 454 . 1 1 38 38 ARG NH1 N 15 84.762 0.3 . 1 . . . . A 38 ARG NH1 . 34220 1 455 . 1 1 39 39 GLN H H 1 8.23 0.02 . 1 . . . . A 39 GLN H . 34220 1 456 . 1 1 39 39 GLN HA H 1 3.617 0.02 . 1 . . . . A 39 GLN HA . 34220 1 457 . 1 1 39 39 GLN HB2 H 1 1.59 0.02 . 2 . . . . A 39 GLN HB2 . 34220 1 458 . 1 1 39 39 GLN HB3 H 1 1.18 0.02 . 2 . . . . A 39 GLN HB3 . 34220 1 459 . 1 1 39 39 GLN HG2 H 1 1.649 0.02 . 2 . . . . A 39 GLN HG2 . 34220 1 460 . 1 1 39 39 GLN HG3 H 1 0.988 0.02 . 2 . . . . A 39 GLN HG3 . 34220 1 461 . 1 1 39 39 GLN HE21 H 1 6.987 0.02 . 1 . . . . A 39 GLN HE21 . 34220 1 462 . 1 1 39 39 GLN HE22 H 1 6.591 0.02 . 1 . . . . A 39 GLN HE22 . 34220 1 463 . 1 1 39 39 GLN CA C 13 58.685 0.3 . 1 . . . . A 39 GLN CA . 34220 1 464 . 1 1 39 39 GLN CB C 13 28.287 0.3 . 1 . . . . A 39 GLN CB . 34220 1 465 . 1 1 39 39 GLN CG C 13 32.403 0.3 . 1 . . . . A 39 GLN CG . 34220 1 466 . 1 1 39 39 GLN N N 15 120.02 0.3 . 1 . . . . A 39 GLN N . 34220 1 467 . 1 1 39 39 GLN NE2 N 15 109.666 0.3 . 1 . . . . A 39 GLN NE2 . 34220 1 468 . 1 1 40 40 PHE H H 1 7.627 0.02 . 1 . . . . A 40 PHE H . 34220 1 469 . 1 1 40 40 PHE HA H 1 4.794 0.02 . 1 . . . . A 40 PHE HA . 34220 1 470 . 1 1 40 40 PHE HB2 H 1 3.575 0.02 . 2 . . . . A 40 PHE HB2 . 34220 1 471 . 1 1 40 40 PHE HB3 H 1 2.586 0.02 . 2 . . . . A 40 PHE HB3 . 34220 1 472 . 1 1 40 40 PHE HD1 H 1 7.353 0.02 . 1 . . . . A 40 PHE HD1 . 34220 1 473 . 1 1 40 40 PHE HD2 H 1 7.353 0.02 . 1 . . . . A 40 PHE HD2 . 34220 1 474 . 1 1 40 40 PHE HE1 H 1 7.21 0.02 . 3 . . . . A 40 PHE HE1 . 34220 1 475 . 1 1 40 40 PHE HE2 H 1 7.208 0.02 . 3 . . . . A 40 PHE HE2 . 34220 1 476 . 1 1 40 40 PHE CA C 13 56.786 0.3 . 1 . . . . A 40 PHE CA . 34220 1 477 . 1 1 40 40 PHE CB C 13 39.545 0.3 . 1 . . . . A 40 PHE CB . 34220 1 478 . 1 1 40 40 PHE CD1 C 13 131.722 0.3 . 1 . . . . A 40 PHE CD1 . 34220 1 479 . 1 1 40 40 PHE CD2 C 13 131.722 0.3 . 1 . . . . A 40 PHE CD2 . 34220 1 480 . 1 1 40 40 PHE CE1 C 13 131.161 0.3 . 1 . . . . A 40 PHE CE1 . 34220 1 481 . 1 1 40 40 PHE CE2 C 13 129.94 0.3 . 1 . . . . A 40 PHE CE2 . 34220 1 482 . 1 1 40 40 PHE N N 15 112.547 0.3 . 1 . . . . A 40 PHE N . 34220 1 483 . 1 1 41 41 ASN H H 1 7.477 0.02 . 1 . . . . A 41 ASN H . 34220 1 484 . 1 1 41 41 ASN HA H 1 4.486 0.02 . 1 . . . . A 41 ASN HA . 34220 1 485 . 1 1 41 41 ASN HB2 H 1 3.148 0.02 . 2 . . . . A 41 ASN HB2 . 34220 1 486 . 1 1 41 41 ASN HB3 H 1 2.65 0.02 . 2 . . . . A 41 ASN HB3 . 34220 1 487 . 1 1 41 41 ASN HD21 H 1 7.567 0.02 . 1 . . . . A 41 ASN HD21 . 34220 1 488 . 1 1 41 41 ASN HD22 H 1 6.811 0.02 . 1 . . . . A 41 ASN HD22 . 34220 1 489 . 1 1 41 41 ASN CA C 13 53.58 0.3 . 1 . . . . A 41 ASN CA . 34220 1 490 . 1 1 41 41 ASN CB C 13 37.039 0.3 . 1 . . . . A 41 ASN CB . 34220 1 491 . 1 1 41 41 ASN N N 15 117.217 0.3 . 1 . . . . A 41 ASN N . 34220 1 492 . 1 1 41 41 ASN ND2 N 15 111.484 0.3 . 1 . . . . A 41 ASN ND2 . 34220 1 493 . 1 1 42 42 CYS H H 1 8.938 0.02 . 1 . . . . A 42 CYS H . 34220 1 494 . 1 1 42 42 CYS HA H 1 5.645 0.02 . 1 . . . . A 42 CYS HA . 34220 1 495 . 1 1 42 42 CYS HB2 H 1 2.952 0.02 . 2 . . . . A 42 CYS HB2 . 34220 1 496 . 1 1 42 42 CYS HB3 H 1 2.632 0.02 . 2 . . . . A 42 CYS HB3 . 34220 1 497 . 1 1 42 42 CYS CA C 13 54.949 0.3 . 1 . . . . A 42 CYS CA . 34220 1 498 . 1 1 42 42 CYS CB C 13 32.646 0.3 . 1 . . . . A 42 CYS CB . 34220 1 499 . 1 1 42 42 CYS N N 15 113.375 0.3 . 1 . . . . A 42 CYS N . 34220 1 500 . 1 1 43 43 VAL H H 1 8.847 0.02 . 1 . . . . A 43 VAL H . 34220 1 501 . 1 1 43 43 VAL HA H 1 4.36 0.02 . 1 . . . . A 43 VAL HA . 34220 1 502 . 1 1 43 43 VAL HB H 1 1.785 0.02 . 1 . . . . A 43 VAL HB . 34220 1 503 . 1 1 43 43 VAL HG11 H 1 0.854 0.02 . 2 . . . . A 43 VAL HG11 . 34220 1 504 . 1 1 43 43 VAL HG12 H 1 0.854 0.02 . 2 . . . . A 43 VAL HG12 . 34220 1 505 . 1 1 43 43 VAL HG13 H 1 0.854 0.02 . 2 . . . . A 43 VAL HG13 . 34220 1 506 . 1 1 43 43 VAL HG21 H 1 0.828 0.02 . 2 . . . . A 43 VAL HG21 . 34220 1 507 . 1 1 43 43 VAL HG22 H 1 0.828 0.02 . 2 . . . . A 43 VAL HG22 . 34220 1 508 . 1 1 43 43 VAL HG23 H 1 0.828 0.02 . 2 . . . . A 43 VAL HG23 . 34220 1 509 . 1 1 43 43 VAL CA C 13 62.057 0.3 . 1 . . . . A 43 VAL CA . 34220 1 510 . 1 1 43 43 VAL CB C 13 34.741 0.3 . 1 . . . . A 43 VAL CB . 34220 1 511 . 1 1 43 43 VAL CG1 C 13 20.957 0.3 . 1 . . . . A 43 VAL CG1 . 34220 1 512 . 1 1 43 43 VAL CG2 C 13 21.146 0.3 . 1 . . . . A 43 VAL CG2 . 34220 1 513 . 1 1 43 43 VAL N N 15 118.875 0.3 . 1 . . . . A 43 VAL N . 34220 1 514 . 1 1 44 44 ILE H H 1 10.218 0.02 . 1 . . . . A 44 ILE H . 34220 1 515 . 1 1 44 44 ILE HA H 1 4.348 0.02 . 1 . . . . A 44 ILE HA . 34220 1 516 . 1 1 44 44 ILE HB H 1 1.585 0.02 . 1 . . . . A 44 ILE HB . 34220 1 517 . 1 1 44 44 ILE HG12 H 1 1.753 0.02 . 1 . . . . A 44 ILE HG12 . 34220 1 518 . 1 1 44 44 ILE HG13 H 1 1.753 0.02 . 1 . . . . A 44 ILE HG13 . 34220 1 519 . 1 1 44 44 ILE HG21 H 1 0.608 0.02 . 1 . . . . A 44 ILE HG21 . 34220 1 520 . 1 1 44 44 ILE HG22 H 1 0.608 0.02 . 1 . . . . A 44 ILE HG22 . 34220 1 521 . 1 1 44 44 ILE HG23 H 1 0.608 0.02 . 1 . . . . A 44 ILE HG23 . 34220 1 522 . 1 1 44 44 ILE HD11 H 1 0.791 0.02 . 1 . . . . A 44 ILE HD11 . 34220 1 523 . 1 1 44 44 ILE HD12 H 1 0.791 0.02 . 1 . . . . A 44 ILE HD12 . 34220 1 524 . 1 1 44 44 ILE HD13 H 1 0.791 0.02 . 1 . . . . A 44 ILE HD13 . 34220 1 525 . 1 1 44 44 ILE CA C 13 59.958 0.3 . 1 . . . . A 44 ILE CA . 34220 1 526 . 1 1 44 44 ILE CB C 13 39.462 0.3 . 1 . . . . A 44 ILE CB . 34220 1 527 . 1 1 44 44 ILE CG1 C 13 28.299 0.3 . 1 . . . . A 44 ILE CG1 . 34220 1 528 . 1 1 44 44 ILE CG2 C 13 16.684 0.3 . 1 . . . . A 44 ILE CG2 . 34220 1 529 . 1 1 44 44 ILE CD1 C 13 13.196 0.3 . 1 . . . . A 44 ILE CD1 . 34220 1 530 . 1 1 44 44 ILE N N 15 130.684 0.3 . 1 . . . . A 44 ILE N . 34220 1 531 . 1 1 45 45 THR H H 1 9.252 0.02 . 1 . . . . A 45 THR H . 34220 1 532 . 1 1 45 45 THR HA H 1 4.426 0.02 . 1 . . . . A 45 THR HA . 34220 1 533 . 1 1 45 45 THR HB H 1 3.77 0.02 . 1 . . . . A 45 THR HB . 34220 1 534 . 1 1 45 45 THR HG21 H 1 0.612 0.02 . 1 . . . . A 45 THR HG21 . 34220 1 535 . 1 1 45 45 THR HG22 H 1 0.612 0.02 . 1 . . . . A 45 THR HG22 . 34220 1 536 . 1 1 45 45 THR HG23 H 1 0.612 0.02 . 1 . . . . A 45 THR HG23 . 34220 1 537 . 1 1 45 45 THR CA C 13 61.116 0.3 . 1 . . . . A 45 THR CA . 34220 1 538 . 1 1 45 45 THR CB C 13 70.025 0.3 . 1 . . . . A 45 THR CB . 34220 1 539 . 1 1 45 45 THR CG2 C 13 20.379 0.3 . 1 . . . . A 45 THR CG2 . 34220 1 540 . 1 1 45 45 THR N N 15 123.497 0.3 . 1 . . . . A 45 THR N . 34220 1 541 . 1 1 46 46 VAL H H 1 9.407 0.02 . 1 . . . . A 46 VAL H . 34220 1 542 . 1 1 46 46 VAL HA H 1 4.099 0.02 . 1 . . . . A 46 VAL HA . 34220 1 543 . 1 1 46 46 VAL HB H 1 2.225 0.02 . 1 . . . . A 46 VAL HB . 34220 1 544 . 1 1 46 46 VAL HG11 H 1 0.836 0.02 . 2 . . . . A 46 VAL HG11 . 34220 1 545 . 1 1 46 46 VAL HG12 H 1 0.836 0.02 . 2 . . . . A 46 VAL HG12 . 34220 1 546 . 1 1 46 46 VAL HG13 H 1 0.836 0.02 . 2 . . . . A 46 VAL HG13 . 34220 1 547 . 1 1 46 46 VAL HG21 H 1 0.836 0.02 . 2 . . . . A 46 VAL HG21 . 34220 1 548 . 1 1 46 46 VAL HG22 H 1 0.836 0.02 . 2 . . . . A 46 VAL HG22 . 34220 1 549 . 1 1 46 46 VAL HG23 H 1 0.836 0.02 . 2 . . . . A 46 VAL HG23 . 34220 1 550 . 1 1 46 46 VAL CA C 13 61.688 0.3 . 1 . . . . A 46 VAL CA . 34220 1 551 . 1 1 46 46 VAL CB C 13 31.327 0.3 . 1 . . . . A 46 VAL CB . 34220 1 552 . 1 1 46 46 VAL CG1 C 13 22.232 0.3 . 1 . . . . A 46 VAL CG1 . 34220 1 553 . 1 1 46 46 VAL CG2 C 13 20.933 0.3 . 1 . . . . A 46 VAL CG2 . 34220 1 554 . 1 1 46 46 VAL N N 15 128.42 0.3 . 1 . . . . A 46 VAL N . 34220 1 555 . 1 1 47 47 HIS H H 1 8.56 0.02 . 1 . . . . A 47 HIS H . 34220 1 556 . 1 1 47 47 HIS HA H 1 5.027 0.02 . 1 . . . . A 47 HIS HA . 34220 1 557 . 1 1 47 47 HIS HB2 H 1 3.155 0.02 . 2 . . . . A 47 HIS HB2 . 34220 1 558 . 1 1 47 47 HIS HB3 H 1 3.096 0.02 . 2 . . . . A 47 HIS HB3 . 34220 1 559 . 1 1 47 47 HIS HD2 H 1 6.662 0.02 . 1 . . . . A 47 HIS HD2 . 34220 1 560 . 1 1 47 47 HIS HE1 H 1 8.574 0.02 . 1 . . . . A 47 HIS HE1 . 34220 1 561 . 1 1 47 47 HIS CA C 13 55.542 0.3 . 1 . . . . A 47 HIS CA . 34220 1 562 . 1 1 47 47 HIS CB C 13 26.507 0.3 . 1 . . . . A 47 HIS CB . 34220 1 563 . 1 1 47 47 HIS CD2 C 13 118.013 0.3 . 1 . . . . A 47 HIS CD2 . 34220 1 564 . 1 1 47 47 HIS CE1 C 13 136.867 0.3 . 1 . . . . A 47 HIS CE1 . 34220 1 565 . 1 1 47 47 HIS N N 15 127.923 0.3 . 1 . . . . A 47 HIS N . 34220 1 566 . 1 1 48 48 THR H H 1 7.814 0.02 . 1 . . . . A 48 THR H . 34220 1 567 . 1 1 48 48 THR HA H 1 4.11 0.02 . 1 . . . . A 48 THR HA . 34220 1 568 . 1 1 48 48 THR HB H 1 4.379 0.02 . 1 . . . . A 48 THR HB . 34220 1 569 . 1 1 48 48 THR HG21 H 1 1.205 0.02 . 1 . . . . A 48 THR HG21 . 34220 1 570 . 1 1 48 48 THR HG22 H 1 1.205 0.02 . 1 . . . . A 48 THR HG22 . 34220 1 571 . 1 1 48 48 THR HG23 H 1 1.205 0.02 . 1 . . . . A 48 THR HG23 . 34220 1 572 . 1 1 48 48 THR CA C 13 63.606 0.3 . 1 . . . . A 48 THR CA . 34220 1 573 . 1 1 48 48 THR CB C 13 68.127 0.3 . 1 . . . . A 48 THR CB . 34220 1 574 . 1 1 48 48 THR CG2 C 13 22.761 0.3 . 1 . . . . A 48 THR CG2 . 34220 1 575 . 1 1 48 48 THR N N 15 112.555 0.3 . 1 . . . . A 48 THR N . 34220 1 576 . 1 1 49 49 GLU H H 1 10.233 0.02 . 1 . . . . A 49 GLU H . 34220 1 577 . 1 1 49 49 GLU HA H 1 4.423 0.02 . 1 . . . . A 49 GLU HA . 34220 1 578 . 1 1 49 49 GLU HB2 H 1 2.129 0.02 . 1 . . . . A 49 GLU HB2 . 34220 1 579 . 1 1 49 49 GLU HB3 H 1 2.129 0.02 . 1 . . . . A 49 GLU HB3 . 34220 1 580 . 1 1 49 49 GLU HG2 H 1 2.598 0.02 . 2 . . . . A 49 GLU HG2 . 34220 1 581 . 1 1 49 49 GLU HG3 H 1 2.22 0.02 . 2 . . . . A 49 GLU HG3 . 34220 1 582 . 1 1 49 49 GLU CA C 13 57.006 0.3 . 1 . . . . A 49 GLU CA . 34220 1 583 . 1 1 49 49 GLU CB C 13 27.525 0.3 . 1 . . . . A 49 GLU CB . 34220 1 584 . 1 1 49 49 GLU CG C 13 35.186 0.3 . 1 . . . . A 49 GLU CG . 34220 1 585 . 1 1 49 49 GLU N N 15 123.134 0.3 . 1 . . . . A 49 GLU N . 34220 1 586 . 1 1 50 50 VAL H H 1 7.732 0.02 . 1 . . . . A 50 VAL H . 34220 1 587 . 1 1 50 50 VAL HA H 1 4.24 0.02 . 1 . . . . A 50 VAL HA . 34220 1 588 . 1 1 50 50 VAL HB H 1 2.136 0.02 . 1 . . . . A 50 VAL HB . 34220 1 589 . 1 1 50 50 VAL HG11 H 1 1.053 0.02 . 2 . . . . A 50 VAL HG11 . 34220 1 590 . 1 1 50 50 VAL HG12 H 1 1.053 0.02 . 2 . . . . A 50 VAL HG12 . 34220 1 591 . 1 1 50 50 VAL HG13 H 1 1.053 0.02 . 2 . . . . A 50 VAL HG13 . 34220 1 592 . 1 1 50 50 VAL HG21 H 1 0.942 0.02 . 2 . . . . A 50 VAL HG21 . 34220 1 593 . 1 1 50 50 VAL HG22 H 1 0.942 0.02 . 2 . . . . A 50 VAL HG22 . 34220 1 594 . 1 1 50 50 VAL HG23 H 1 0.942 0.02 . 2 . . . . A 50 VAL HG23 . 34220 1 595 . 1 1 50 50 VAL CA C 13 61.862 0.3 . 1 . . . . A 50 VAL CA . 34220 1 596 . 1 1 50 50 VAL CB C 13 32.499 0.3 . 1 . . . . A 50 VAL CB . 34220 1 597 . 1 1 50 50 VAL CG1 C 13 21.2 0.3 . 1 . . . . A 50 VAL CG1 . 34220 1 598 . 1 1 50 50 VAL CG2 C 13 21.171 0.3 . 1 . . . . A 50 VAL CG2 . 34220 1 599 . 1 1 50 50 VAL N N 15 123.004 0.3 . 1 . . . . A 50 VAL N . 34220 1 600 . 1 1 51 51 GLN H H 1 8.465 0.02 . 1 . . . . A 51 GLN H . 34220 1 601 . 1 1 51 51 GLN HA H 1 4.808 0.02 . 1 . . . . A 51 GLN HA . 34220 1 602 . 1 1 51 51 GLN HB2 H 1 2.133 0.02 . 2 . . . . A 51 GLN HB2 . 34220 1 603 . 1 1 51 51 GLN HB3 H 1 1.975 0.02 . 2 . . . . A 51 GLN HB3 . 34220 1 604 . 1 1 51 51 GLN HG2 H 1 2.416 0.02 . 2 . . . . A 51 GLN HG2 . 34220 1 605 . 1 1 51 51 GLN HG3 H 1 2.358 0.02 . 2 . . . . A 51 GLN HG3 . 34220 1 606 . 1 1 51 51 GLN HE21 H 1 7.529 0.02 . 1 . . . . A 51 GLN HE21 . 34220 1 607 . 1 1 51 51 GLN HE22 H 1 6.9 0.02 . 1 . . . . A 51 GLN HE22 . 34220 1 608 . 1 1 51 51 GLN CA C 13 55.066 0.3 . 1 . . . . A 51 GLN CA . 34220 1 609 . 1 1 51 51 GLN CB C 13 30.186 0.3 . 1 . . . . A 51 GLN CB . 34220 1 610 . 1 1 51 51 GLN CG C 13 33.819 0.3 . 1 . . . . A 51 GLN CG . 34220 1 611 . 1 1 51 51 GLN N N 15 124.883 0.3 . 1 . . . . A 51 GLN N . 34220 1 612 . 1 1 51 51 GLN NE2 N 15 112.419 0.3 . 1 . . . . A 51 GLN NE2 . 34220 1 613 . 1 1 52 52 SER H H 1 8.894 0.02 . 1 . . . . A 52 SER H . 34220 1 614 . 1 1 52 52 SER HA H 1 4.576 0.02 . 1 . . . . A 52 SER HA . 34220 1 615 . 1 1 52 52 SER HB2 H 1 3.785 0.02 . 2 . . . . A 52 SER HB2 . 34220 1 616 . 1 1 52 52 SER HB3 H 1 3.645 0.02 . 2 . . . . A 52 SER HB3 . 34220 1 617 . 1 1 52 52 SER CA C 13 57.548 0.3 . 1 . . . . A 52 SER CA . 34220 1 618 . 1 1 52 52 SER CB C 13 65.097 0.3 . 1 . . . . A 52 SER CB . 34220 1 619 . 1 1 52 52 SER N N 15 118.25 0.3 . 1 . . . . A 52 SER N . 34220 1 620 . 1 1 53 53 SER H H 1 8.9 0.02 . 1 . . . . A 53 SER H . 34220 1 621 . 1 1 53 53 SER HA H 1 4.385 0.02 . 1 . . . . A 53 SER HA . 34220 1 622 . 1 1 53 53 SER HB2 H 1 3.736 0.02 . 1 . . . . A 53 SER HB2 . 34220 1 623 . 1 1 53 53 SER HB3 H 1 3.736 0.02 . 1 . . . . A 53 SER HB3 . 34220 1 624 . 1 1 53 53 SER CA C 13 59.067 0.3 . 1 . . . . A 53 SER CA . 34220 1 625 . 1 1 53 53 SER CB C 13 62.905 0.3 . 1 . . . . A 53 SER CB . 34220 1 626 . 1 1 53 53 SER N N 15 118.046 0.3 . 1 . . . . A 53 SER N . 34220 1 627 . 1 1 54 54 PHE H H 1 7.735 0.02 . 1 . . . . A 54 PHE H . 34220 1 628 . 1 1 54 54 PHE HA H 1 4.672 0.02 . 1 . . . . A 54 PHE HA . 34220 1 629 . 1 1 54 54 PHE HB2 H 1 3.076 0.02 . 1 . . . . A 54 PHE HB2 . 34220 1 630 . 1 1 54 54 PHE HB3 H 1 3.076 0.02 . 1 . . . . A 54 PHE HB3 . 34220 1 631 . 1 1 54 54 PHE HD1 H 1 7.138 0.02 . 3 . . . . A 54 PHE HD1 . 34220 1 632 . 1 1 54 54 PHE HD2 H 1 7.151 0.02 . 3 . . . . A 54 PHE HD2 . 34220 1 633 . 1 1 54 54 PHE HE1 H 1 6.832 0.02 . 1 . . . . A 54 PHE HE1 . 34220 1 634 . 1 1 54 54 PHE HE2 H 1 6.832 0.02 . 1 . . . . A 54 PHE HE2 . 34220 1 635 . 1 1 54 54 PHE CA C 13 56.904 0.3 . 1 . . . . A 54 PHE CA . 34220 1 636 . 1 1 54 54 PHE CB C 13 37.911 0.3 . 1 . . . . A 54 PHE CB . 34220 1 637 . 1 1 54 54 PHE CD1 C 13 131.989 0.3 . 1 . . . . A 54 PHE CD1 . 34220 1 638 . 1 1 54 54 PHE CD2 C 13 131.546 0.3 . 1 . . . . A 54 PHE CD2 . 34220 1 639 . 1 1 54 54 PHE CE1 C 13 129.54 0.3 . 1 . . . . A 54 PHE CE1 . 34220 1 640 . 1 1 54 54 PHE CE2 C 13 129.54 0.3 . 1 . . . . A 54 PHE CE2 . 34220 1 641 . 1 1 54 54 PHE N N 15 119.228 0.3 . 1 . . . . A 54 PHE N . 34220 1 642 . 1 1 55 55 GLY H H 1 8.027 0.02 . 1 . . . . A 55 GLY H . 34220 1 643 . 1 1 55 55 GLY HA2 H 1 4.072 0.02 . 2 . . . . A 55 GLY HA2 . 34220 1 644 . 1 1 55 55 GLY HA3 H 1 3.802 0.02 . 2 . . . . A 55 GLY HA3 . 34220 1 645 . 1 1 55 55 GLY CA C 13 46.402 0.3 . 1 . . . . A 55 GLY CA . 34220 1 646 . 1 1 55 55 GLY N N 15 108.668 0.3 . 1 . . . . A 55 GLY N . 34220 1 647 . 1 1 56 56 ALA H H 1 7.546 0.02 . 1 . . . . A 56 ALA H . 34220 1 648 . 1 1 56 56 ALA HA H 1 5.4 0.02 . 1 . . . . A 56 ALA HA . 34220 1 649 . 1 1 56 56 ALA HB1 H 1 1.361 0.02 . 1 . . . . A 56 ALA HB1 . 34220 1 650 . 1 1 56 56 ALA HB2 H 1 1.361 0.02 . 1 . . . . A 56 ALA HB2 . 34220 1 651 . 1 1 56 56 ALA HB3 H 1 1.361 0.02 . 1 . . . . A 56 ALA HB3 . 34220 1 652 . 1 1 56 56 ALA CA C 13 50.737 0.3 . 1 . . . . A 56 ALA CA . 34220 1 653 . 1 1 56 56 ALA CB C 13 23.718 0.3 . 1 . . . . A 56 ALA CB . 34220 1 654 . 1 1 56 56 ALA N N 15 122.922 0.3 . 1 . . . . A 56 ALA N . 34220 1 655 . 1 1 57 57 THR H H 1 9.707 0.02 . 1 . . . . A 57 THR H . 34220 1 656 . 1 1 57 57 THR HA H 1 5.013 0.02 . 1 . . . . A 57 THR HA . 34220 1 657 . 1 1 57 57 THR HB H 1 3.567 0.02 . 1 . . . . A 57 THR HB . 34220 1 658 . 1 1 57 57 THR HG21 H 1 1.085 0.02 . 1 . . . . A 57 THR HG21 . 34220 1 659 . 1 1 57 57 THR HG22 H 1 1.085 0.02 . 1 . . . . A 57 THR HG22 . 34220 1 660 . 1 1 57 57 THR HG23 H 1 1.085 0.02 . 1 . . . . A 57 THR HG23 . 34220 1 661 . 1 1 57 57 THR CA C 13 59.67 0.3 . 1 . . . . A 57 THR CA . 34220 1 662 . 1 1 57 57 THR CB C 13 74.039 0.3 . 1 . . . . A 57 THR CB . 34220 1 663 . 1 1 57 57 THR CG2 C 13 20.672 0.3 . 1 . . . . A 57 THR CG2 . 34220 1 664 . 1 1 57 57 THR N N 15 119.015 0.3 . 1 . . . . A 57 THR N . 34220 1 665 . 1 1 58 58 PRO HA H 1 4.085 0.02 . 1 . . . . A 58 PRO HA . 34220 1 666 . 1 1 58 58 PRO HB2 H 1 1.095 0.02 . 2 . . . . A 58 PRO HB2 . 34220 1 667 . 1 1 58 58 PRO HB3 H 1 0.324 0.02 . 2 . . . . A 58 PRO HB3 . 34220 1 668 . 1 1 58 58 PRO HG2 H 1 1.854 0.02 . 2 . . . . A 58 PRO HG2 . 34220 1 669 . 1 1 58 58 PRO HG3 H 1 1.384 0.02 . 2 . . . . A 58 PRO HG3 . 34220 1 670 . 1 1 58 58 PRO HD2 H 1 3.973 0.02 . 2 . . . . A 58 PRO HD2 . 34220 1 671 . 1 1 58 58 PRO HD3 H 1 3.808 0.02 . 2 . . . . A 58 PRO HD3 . 34220 1 672 . 1 1 58 58 PRO CA C 13 62.115 0.3 . 1 . . . . A 58 PRO CA . 34220 1 673 . 1 1 58 58 PRO CB C 13 30.257 0.3 . 1 . . . . A 58 PRO CB . 34220 1 674 . 1 1 58 58 PRO CG C 13 26.13 0.3 . 1 . . . . A 58 PRO CG . 34220 1 675 . 1 1 58 58 PRO CD C 13 50.372 0.3 . 1 . . . . A 58 PRO CD . 34220 1 676 . 1 1 59 59 VAL H H 1 8.775 0.02 . 1 . . . . A 59 VAL H . 34220 1 677 . 1 1 59 59 VAL HA H 1 4.622 0.02 . 1 . . . . A 59 VAL HA . 34220 1 678 . 1 1 59 59 VAL HB H 1 2.058 0.02 . 1 . . . . A 59 VAL HB . 34220 1 679 . 1 1 59 59 VAL HG11 H 1 0.878 0.02 . 2 . . . . A 59 VAL HG11 . 34220 1 680 . 1 1 59 59 VAL HG12 H 1 0.878 0.02 . 2 . . . . A 59 VAL HG12 . 34220 1 681 . 1 1 59 59 VAL HG13 H 1 0.878 0.02 . 2 . . . . A 59 VAL HG13 . 34220 1 682 . 1 1 59 59 VAL HG21 H 1 0.721 0.02 . 2 . . . . A 59 VAL HG21 . 34220 1 683 . 1 1 59 59 VAL HG22 H 1 0.721 0.02 . 2 . . . . A 59 VAL HG22 . 34220 1 684 . 1 1 59 59 VAL HG23 H 1 0.721 0.02 . 2 . . . . A 59 VAL HG23 . 34220 1 685 . 1 1 59 59 VAL CA C 13 60.435 0.3 . 1 . . . . A 59 VAL CA . 34220 1 686 . 1 1 59 59 VAL CB C 13 33.596 0.3 . 1 . . . . A 59 VAL CB . 34220 1 687 . 1 1 59 59 VAL CG1 C 13 22.269 0.3 . 1 . . . . A 59 VAL CG1 . 34220 1 688 . 1 1 59 59 VAL CG2 C 13 21.695 0.3 . 1 . . . . A 59 VAL CG2 . 34220 1 689 . 1 1 59 59 VAL N N 15 123.139 0.3 . 1 . . . . A 59 VAL N . 34220 1 690 . 1 1 60 60 GLU H H 1 9.104 0.02 . 1 . . . . A 60 GLU H . 34220 1 691 . 1 1 60 60 GLU HA H 1 5.175 0.02 . 1 . . . . A 60 GLU HA . 34220 1 692 . 1 1 60 60 GLU HB2 H 1 2.08 0.02 . 2 . . . . A 60 GLU HB2 . 34220 1 693 . 1 1 60 60 GLU HB3 H 1 1.884 0.02 . 2 . . . . A 60 GLU HB3 . 34220 1 694 . 1 1 60 60 GLU HG2 H 1 2.086 0.02 . 1 . . . . A 60 GLU HG2 . 34220 1 695 . 1 1 60 60 GLU HG3 H 1 2.086 0.02 . 1 . . . . A 60 GLU HG3 . 34220 1 696 . 1 1 60 60 GLU CA C 13 54.275 0.3 . 1 . . . . A 60 GLU CA . 34220 1 697 . 1 1 60 60 GLU CB C 13 33.285 0.3 . 1 . . . . A 60 GLU CB . 34220 1 698 . 1 1 60 60 GLU CG C 13 36.87 0.3 . 1 . . . . A 60 GLU CG . 34220 1 699 . 1 1 60 60 GLU N N 15 126.828 0.3 . 1 . . . . A 60 GLU N . 34220 1 700 . 1 1 61 61 ILE H H 1 8.982 0.02 . 1 . . . . A 61 ILE H . 34220 1 701 . 1 1 61 61 ILE HA H 1 4.697 0.02 . 1 . . . . A 61 ILE HA . 34220 1 702 . 1 1 61 61 ILE HB H 1 1.666 0.02 . 1 . . . . A 61 ILE HB . 34220 1 703 . 1 1 61 61 ILE HG12 H 1 1.497 0.02 . 2 . . . . A 61 ILE HG12 . 34220 1 704 . 1 1 61 61 ILE HG13 H 1 0.837 0.02 . 2 . . . . A 61 ILE HG13 . 34220 1 705 . 1 1 61 61 ILE HG21 H 1 0.856 0.02 . 1 . . . . A 61 ILE HG21 . 34220 1 706 . 1 1 61 61 ILE HG22 H 1 0.856 0.02 . 1 . . . . A 61 ILE HG22 . 34220 1 707 . 1 1 61 61 ILE HG23 H 1 0.856 0.02 . 1 . . . . A 61 ILE HG23 . 34220 1 708 . 1 1 61 61 ILE HD11 H 1 0.649 0.02 . 1 . . . . A 61 ILE HD11 . 34220 1 709 . 1 1 61 61 ILE HD12 H 1 0.649 0.02 . 1 . . . . A 61 ILE HD12 . 34220 1 710 . 1 1 61 61 ILE HD13 H 1 0.649 0.02 . 1 . . . . A 61 ILE HD13 . 34220 1 711 . 1 1 61 61 ILE CA C 13 60.925 0.3 . 1 . . . . A 61 ILE CA . 34220 1 712 . 1 1 61 61 ILE CB C 13 40.384 0.3 . 1 . . . . A 61 ILE CB . 34220 1 713 . 1 1 61 61 ILE CG1 C 13 27.813 0.3 . 1 . . . . A 61 ILE CG1 . 34220 1 714 . 1 1 61 61 ILE CG2 C 13 18.527 0.3 . 1 . . . . A 61 ILE CG2 . 34220 1 715 . 1 1 61 61 ILE CD1 C 13 13.537 0.3 . 1 . . . . A 61 ILE CD1 . 34220 1 716 . 1 1 61 61 ILE N N 15 125.762 0.3 . 1 . . . . A 61 ILE N . 34220 1 717 . 1 1 62 62 VAL H H 1 8.73 0.02 . 1 . . . . A 62 VAL H . 34220 1 718 . 1 1 62 62 VAL HA H 1 5.112 0.02 . 1 . . . . A 62 VAL HA . 34220 1 719 . 1 1 62 62 VAL HB H 1 1.907 0.02 . 1 . . . . A 62 VAL HB . 34220 1 720 . 1 1 62 62 VAL HG11 H 1 0.901 0.02 . 2 . . . . A 62 VAL HG11 . 34220 1 721 . 1 1 62 62 VAL HG12 H 1 0.901 0.02 . 2 . . . . A 62 VAL HG12 . 34220 1 722 . 1 1 62 62 VAL HG13 H 1 0.901 0.02 . 2 . . . . A 62 VAL HG13 . 34220 1 723 . 1 1 62 62 VAL HG21 H 1 0.902 0.02 . 2 . . . . A 62 VAL HG21 . 34220 1 724 . 1 1 62 62 VAL HG22 H 1 0.902 0.02 . 2 . . . . A 62 VAL HG22 . 34220 1 725 . 1 1 62 62 VAL HG23 H 1 0.902 0.02 . 2 . . . . A 62 VAL HG23 . 34220 1 726 . 1 1 62 62 VAL CA C 13 60.614 0.3 . 1 . . . . A 62 VAL CA . 34220 1 727 . 1 1 62 62 VAL CB C 13 34.315 0.3 . 1 . . . . A 62 VAL CB . 34220 1 728 . 1 1 62 62 VAL CG1 C 13 21.422 0.3 . 1 . . . . A 62 VAL CG1 . 34220 1 729 . 1 1 62 62 VAL CG2 C 13 21.373 0.3 . 1 . . . . A 62 VAL CG2 . 34220 1 730 . 1 1 62 62 VAL N N 15 126.054 0.3 . 1 . . . . A 62 VAL N . 34220 1 731 . 1 1 63 63 ALA H H 1 9.094 0.02 . 1 . . . . A 63 ALA H . 34220 1 732 . 1 1 63 63 ALA HA H 1 4.949 0.02 . 1 . . . . A 63 ALA HA . 34220 1 733 . 1 1 63 63 ALA HB1 H 1 1.594 0.02 . 1 . . . . A 63 ALA HB1 . 34220 1 734 . 1 1 63 63 ALA HB2 H 1 1.594 0.02 . 1 . . . . A 63 ALA HB2 . 34220 1 735 . 1 1 63 63 ALA HB3 H 1 1.594 0.02 . 1 . . . . A 63 ALA HB3 . 34220 1 736 . 1 1 63 63 ALA CA C 13 50.46 0.3 . 1 . . . . A 63 ALA CA . 34220 1 737 . 1 1 63 63 ALA CB C 13 23.192 0.3 . 1 . . . . A 63 ALA CB . 34220 1 738 . 1 1 63 63 ALA N N 15 129.016 0.3 . 1 . . . . A 63 ALA N . 34220 1 739 . 1 1 64 64 GLN H H 1 9.365 0.02 . 1 . . . . A 64 GLN H . 34220 1 740 . 1 1 64 64 GLN HA H 1 4.347 0.02 . 1 . . . . A 64 GLN HA . 34220 1 741 . 1 1 64 64 GLN HB2 H 1 2.317 0.02 . 2 . . . . A 64 GLN HB2 . 34220 1 742 . 1 1 64 64 GLN HB3 H 1 2.125 0.02 . 2 . . . . A 64 GLN HB3 . 34220 1 743 . 1 1 64 64 GLN HG2 H 1 2.537 0.02 . 2 . . . . A 64 GLN HG2 . 34220 1 744 . 1 1 64 64 GLN HG3 H 1 2.514 0.02 . 2 . . . . A 64 GLN HG3 . 34220 1 745 . 1 1 64 64 GLN CA C 13 57.061 0.3 . 1 . . . . A 64 GLN CA . 34220 1 746 . 1 1 64 64 GLN CB C 13 29.268 0.3 . 1 . . . . A 64 GLN CB . 34220 1 747 . 1 1 64 64 GLN CG C 13 34.228 0.3 . 1 . . . . A 64 GLN CG . 34220 1 748 . 1 1 64 64 GLN N N 15 116.487 0.3 . 1 . . . . A 64 GLN N . 34220 1 749 . 1 1 65 65 ASN H H 1 7.458 0.02 . 1 . . . . A 65 ASN H . 34220 1 750 . 1 1 65 65 ASN HA H 1 4.868 0.02 . 1 . . . . A 65 ASN HA . 34220 1 751 . 1 1 65 65 ASN HB2 H 1 3.015 0.02 . 1 . . . . A 65 ASN HB2 . 34220 1 752 . 1 1 65 65 ASN HB3 H 1 3.015 0.02 . 1 . . . . A 65 ASN HB3 . 34220 1 753 . 1 1 65 65 ASN HD21 H 1 7.622 0.02 . 1 . . . . A 65 ASN HD21 . 34220 1 754 . 1 1 65 65 ASN HD22 H 1 6.982 0.02 . 1 . . . . A 65 ASN HD22 . 34220 1 755 . 1 1 65 65 ASN CA C 13 51.984 0.3 . 1 . . . . A 65 ASN CA . 34220 1 756 . 1 1 65 65 ASN CB C 13 40.89 0.3 . 1 . . . . A 65 ASN CB . 34220 1 757 . 1 1 65 65 ASN N N 15 109.801 0.3 . 1 . . . . A 65 ASN N . 34220 1 758 . 1 1 65 65 ASN ND2 N 15 114.537 0.3 . 1 . . . . A 65 ASN ND2 . 34220 1 759 . 1 1 66 66 LYS H H 1 9.078 0.02 . 1 . . . . A 66 LYS H . 34220 1 760 . 1 1 66 66 LYS HA H 1 3.749 0.02 . 1 . . . . A 66 LYS HA . 34220 1 761 . 1 1 66 66 LYS HB2 H 1 1.808 0.02 . 1 . . . . A 66 LYS HB2 . 34220 1 762 . 1 1 66 66 LYS HB3 H 1 1.808 0.02 . 1 . . . . A 66 LYS HB3 . 34220 1 763 . 1 1 66 66 LYS HG2 H 1 1.439 0.02 . 2 . . . . A 66 LYS HG2 . 34220 1 764 . 1 1 66 66 LYS HG3 H 1 1.362 0.02 . 2 . . . . A 66 LYS HG3 . 34220 1 765 . 1 1 66 66 LYS HD2 H 1 1.683 0.02 . 1 . . . . A 66 LYS HD2 . 34220 1 766 . 1 1 66 66 LYS HD3 H 1 1.683 0.02 . 1 . . . . A 66 LYS HD3 . 34220 1 767 . 1 1 66 66 LYS HE2 H 1 3.002 0.02 . 1 . . . . A 66 LYS HE2 . 34220 1 768 . 1 1 66 66 LYS HE3 H 1 3.002 0.02 . 1 . . . . A 66 LYS HE3 . 34220 1 769 . 1 1 66 66 LYS CA C 13 60.011 0.3 . 1 . . . . A 66 LYS CA . 34220 1 770 . 1 1 66 66 LYS CB C 13 32.636 0.3 . 1 . . . . A 66 LYS CB . 34220 1 771 . 1 1 66 66 LYS CG C 13 25.068 0.3 . 1 . . . . A 66 LYS CG . 34220 1 772 . 1 1 66 66 LYS CD C 13 29.195 0.3 . 1 . . . . A 66 LYS CD . 34220 1 773 . 1 1 66 66 LYS CE C 13 41.908 0.3 . 1 . . . . A 66 LYS CE . 34220 1 774 . 1 1 66 66 LYS N N 15 122.034 0.3 . 1 . . . . A 66 LYS N . 34220 1 775 . 1 1 67 67 GLU H H 1 8.636 0.02 . 1 . . . . A 67 GLU H . 34220 1 776 . 1 1 67 67 GLU HA H 1 4.004 0.02 . 1 . . . . A 67 GLU HA . 34220 1 777 . 1 1 67 67 GLU HB2 H 1 2.146 0.02 . 2 . . . . A 67 GLU HB2 . 34220 1 778 . 1 1 67 67 GLU HB3 H 1 2.004 0.02 . 2 . . . . A 67 GLU HB3 . 34220 1 779 . 1 1 67 67 GLU HG2 H 1 2.397 0.02 . 2 . . . . A 67 GLU HG2 . 34220 1 780 . 1 1 67 67 GLU HG3 H 1 2.281 0.02 . 2 . . . . A 67 GLU HG3 . 34220 1 781 . 1 1 67 67 GLU CA C 13 60.222 0.3 . 1 . . . . A 67 GLU CA . 34220 1 782 . 1 1 67 67 GLU CB C 13 28.223 0.3 . 1 . . . . A 67 GLU CB . 34220 1 783 . 1 1 67 67 GLU CG C 13 35.803 0.3 . 1 . . . . A 67 GLU CG . 34220 1 784 . 1 1 67 67 GLU N N 15 121.185 0.3 . 1 . . . . A 67 GLU N . 34220 1 785 . 1 1 68 68 GLN H H 1 8.607 0.02 . 1 . . . . A 68 GLN H . 34220 1 786 . 1 1 68 68 GLN HA H 1 4.089 0.02 . 1 . . . . A 68 GLN HA . 34220 1 787 . 1 1 68 68 GLN HB2 H 1 2.513 0.02 . 2 . . . . A 68 GLN HB2 . 34220 1 788 . 1 1 68 68 GLN HB3 H 1 2.149 0.02 . 2 . . . . A 68 GLN HB3 . 34220 1 789 . 1 1 68 68 GLN HG2 H 1 2.741 0.02 . 2 . . . . A 68 GLN HG2 . 34220 1 790 . 1 1 68 68 GLN HG3 H 1 2.584 0.02 . 2 . . . . A 68 GLN HG3 . 34220 1 791 . 1 1 68 68 GLN HE21 H 1 7.769 0.02 . 1 . . . . A 68 GLN HE21 . 34220 1 792 . 1 1 68 68 GLN HE22 H 1 6.976 0.02 . 1 . . . . A 68 GLN HE22 . 34220 1 793 . 1 1 68 68 GLN CA C 13 59.353 0.3 . 1 . . . . A 68 GLN CA . 34220 1 794 . 1 1 68 68 GLN CB C 13 28.62 0.3 . 1 . . . . A 68 GLN CB . 34220 1 795 . 1 1 68 68 GLN CG C 13 36.09 0.3 . 1 . . . . A 68 GLN CG . 34220 1 796 . 1 1 68 68 GLN N N 15 118.053 0.3 . 1 . . . . A 68 GLN N . 34220 1 797 . 1 1 68 68 GLN NE2 N 15 111.879 0.3 . 1 . . . . A 68 GLN NE2 . 34220 1 798 . 1 1 69 69 CYS H H 1 7.466 0.02 . 1 . . . . A 69 CYS H . 34220 1 799 . 1 1 69 69 CYS HA H 1 3.674 0.02 . 1 . . . . A 69 CYS HA . 34220 1 800 . 1 1 69 69 CYS HB2 H 1 2.914 0.02 . 2 . . . . A 69 CYS HB2 . 34220 1 801 . 1 1 69 69 CYS HB3 H 1 2.838 0.02 . 2 . . . . A 69 CYS HB3 . 34220 1 802 . 1 1 69 69 CYS CA C 13 63.788 0.3 . 1 . . . . A 69 CYS CA . 34220 1 803 . 1 1 69 69 CYS CB C 13 26.497 0.3 . 1 . . . . A 69 CYS CB . 34220 1 804 . 1 1 69 69 CYS N N 15 117.444 0.3 . 1 . . . . A 69 CYS N . 34220 1 805 . 1 1 70 70 GLN H H 1 8.027 0.02 . 1 . . . . A 70 GLN H . 34220 1 806 . 1 1 70 70 GLN HA H 1 3.752 0.02 . 1 . . . . A 70 GLN HA . 34220 1 807 . 1 1 70 70 GLN HB2 H 1 2.151 0.02 . 2 . . . . A 70 GLN HB2 . 34220 1 808 . 1 1 70 70 GLN HB3 H 1 2.054 0.02 . 2 . . . . A 70 GLN HB3 . 34220 1 809 . 1 1 70 70 GLN HG2 H 1 2.419 0.02 . 2 . . . . A 70 GLN HG2 . 34220 1 810 . 1 1 70 70 GLN HG3 H 1 2.344 0.02 . 2 . . . . A 70 GLN HG3 . 34220 1 811 . 1 1 70 70 GLN HE21 H 1 7.47 0.02 . 1 . . . . A 70 GLN HE21 . 34220 1 812 . 1 1 70 70 GLN HE22 H 1 6.916 0.02 . 1 . . . . A 70 GLN HE22 . 34220 1 813 . 1 1 70 70 GLN CA C 13 58.628 0.3 . 1 . . . . A 70 GLN CA . 34220 1 814 . 1 1 70 70 GLN CB C 13 27.884 0.3 . 1 . . . . A 70 GLN CB . 34220 1 815 . 1 1 70 70 GLN CG C 13 33.65 0.3 . 1 . . . . A 70 GLN CG . 34220 1 816 . 1 1 70 70 GLN N N 15 116.883 0.3 . 1 . . . . A 70 GLN N . 34220 1 817 . 1 1 70 70 GLN NE2 N 15 111.583 0.3 . 1 . . . . A 70 GLN NE2 . 34220 1 818 . 1 1 71 71 GLU H H 1 8.252 0.02 . 1 . . . . A 71 GLU H . 34220 1 819 . 1 1 71 71 GLU HA H 1 3.75 0.02 . 1 . . . . A 71 GLU HA . 34220 1 820 . 1 1 71 71 GLU HB2 H 1 1.578 0.02 . 2 . . . . A 71 GLU HB2 . 34220 1 821 . 1 1 71 71 GLU HB3 H 1 1.401 0.02 . 2 . . . . A 71 GLU HB3 . 34220 1 822 . 1 1 71 71 GLU HG2 H 1 2.539 0.02 . 2 . . . . A 71 GLU HG2 . 34220 1 823 . 1 1 71 71 GLU HG3 H 1 2.237 0.02 . 2 . . . . A 71 GLU HG3 . 34220 1 824 . 1 1 71 71 GLU CA C 13 58.892 0.3 . 1 . . . . A 71 GLU CA . 34220 1 825 . 1 1 71 71 GLU CB C 13 28.875 0.3 . 1 . . . . A 71 GLU CB . 34220 1 826 . 1 1 71 71 GLU CG C 13 35.23 0.3 . 1 . . . . A 71 GLU CG . 34220 1 827 . 1 1 71 71 GLU N N 15 119.488 0.3 . 1 . . . . A 71 GLU N . 34220 1 828 . 1 1 72 72 ALA H H 1 7.815 0.02 . 1 . . . . A 72 ALA H . 34220 1 829 . 1 1 72 72 ALA HA H 1 3.465 0.02 . 1 . . . . A 72 ALA HA . 34220 1 830 . 1 1 72 72 ALA HB1 H 1 1.336 0.02 . 1 . . . . A 72 ALA HB1 . 34220 1 831 . 1 1 72 72 ALA HB2 H 1 1.336 0.02 . 1 . . . . A 72 ALA HB2 . 34220 1 832 . 1 1 72 72 ALA HB3 H 1 1.336 0.02 . 1 . . . . A 72 ALA HB3 . 34220 1 833 . 1 1 72 72 ALA CA C 13 54.937 0.3 . 1 . . . . A 72 ALA CA . 34220 1 834 . 1 1 72 72 ALA CB C 13 19.882 0.3 . 1 . . . . A 72 ALA CB . 34220 1 835 . 1 1 72 72 ALA N N 15 123.286 0.3 . 1 . . . . A 72 ALA N . 34220 1 836 . 1 1 73 73 ARG H H 1 8.132 0.02 . 1 . . . . A 73 ARG H . 34220 1 837 . 1 1 73 73 ARG HA H 1 3.519 0.02 . 1 . . . . A 73 ARG HA . 34220 1 838 . 1 1 73 73 ARG HB2 H 1 2.014 0.02 . 2 . . . . A 73 ARG HB2 . 34220 1 839 . 1 1 73 73 ARG HB3 H 1 1.765 0.02 . 2 . . . . A 73 ARG HB3 . 34220 1 840 . 1 1 73 73 ARG HG2 H 1 1.631 0.02 . 2 . . . . A 73 ARG HG2 . 34220 1 841 . 1 1 73 73 ARG HG3 H 1 1.353 0.02 . 2 . . . . A 73 ARG HG3 . 34220 1 842 . 1 1 73 73 ARG HD2 H 1 3.115 0.02 . 1 . . . . A 73 ARG HD2 . 34220 1 843 . 1 1 73 73 ARG HD3 H 1 3.115 0.02 . 1 . . . . A 73 ARG HD3 . 34220 1 844 . 1 1 73 73 ARG HH11 H 1 7.217 0.02 . 1 . . . . A 73 ARG HH11 . 34220 1 845 . 1 1 73 73 ARG CA C 13 59.963 0.3 . 1 . . . . A 73 ARG CA . 34220 1 846 . 1 1 73 73 ARG CB C 13 28.63 0.3 . 1 . . . . A 73 ARG CB . 34220 1 847 . 1 1 73 73 ARG CG C 13 26.019 0.3 . 1 . . . . A 73 ARG CG . 34220 1 848 . 1 1 73 73 ARG CD C 13 43.13 0.3 . 1 . . . . A 73 ARG CD . 34220 1 849 . 1 1 73 73 ARG N N 15 118.915 0.3 . 1 . . . . A 73 ARG N . 34220 1 850 . 1 1 73 73 ARG NH1 N 15 83.078 0.3 . 1 . . . . A 73 ARG NH1 . 34220 1 851 . 1 1 74 74 ASN H H 1 8.386 0.02 . 1 . . . . A 74 ASN H . 34220 1 852 . 1 1 74 74 ASN HA H 1 4.279 0.02 . 1 . . . . A 74 ASN HA . 34220 1 853 . 1 1 74 74 ASN HB2 H 1 2.824 0.02 . 1 . . . . A 74 ASN HB2 . 34220 1 854 . 1 1 74 74 ASN HB3 H 1 2.824 0.02 . 1 . . . . A 74 ASN HB3 . 34220 1 855 . 1 1 74 74 ASN HD21 H 1 7.689 0.02 . 1 . . . . A 74 ASN HD21 . 34220 1 856 . 1 1 74 74 ASN HD22 H 1 6.971 0.02 . 1 . . . . A 74 ASN HD22 . 34220 1 857 . 1 1 74 74 ASN CA C 13 55.684 0.3 . 1 . . . . A 74 ASN CA . 34220 1 858 . 1 1 74 74 ASN CB C 13 37.05 0.3 . 1 . . . . A 74 ASN CB . 34220 1 859 . 1 1 74 74 ASN N N 15 118.628 0.3 . 1 . . . . A 74 ASN N . 34220 1 860 . 1 1 74 74 ASN ND2 N 15 111.814 0.3 . 1 . . . . A 74 ASN ND2 . 34220 1 861 . 1 1 75 75 ALA H H 1 7.97 0.02 . 1 . . . . A 75 ALA H . 34220 1 862 . 1 1 75 75 ALA HA H 1 4.171 0.02 . 1 . . . . A 75 ALA HA . 34220 1 863 . 1 1 75 75 ALA HB1 H 1 1.606 0.02 . 1 . . . . A 75 ALA HB1 . 34220 1 864 . 1 1 75 75 ALA HB2 H 1 1.606 0.02 . 1 . . . . A 75 ALA HB2 . 34220 1 865 . 1 1 75 75 ALA HB3 H 1 1.606 0.02 . 1 . . . . A 75 ALA HB3 . 34220 1 866 . 1 1 75 75 ALA CA C 13 55.194 0.3 . 1 . . . . A 75 ALA CA . 34220 1 867 . 1 1 75 75 ALA CB C 13 18.486 0.3 . 1 . . . . A 75 ALA CB . 34220 1 868 . 1 1 75 75 ALA N N 15 124.7 0.3 . 1 . . . . A 75 ALA N . 34220 1 869 . 1 1 76 76 VAL H H 1 8.132 0.02 . 1 . . . . A 76 VAL H . 34220 1 870 . 1 1 76 76 VAL HA H 1 3.439 0.02 . 1 . . . . A 76 VAL HA . 34220 1 871 . 1 1 76 76 VAL HB H 1 2.219 0.02 . 1 . . . . A 76 VAL HB . 34220 1 872 . 1 1 76 76 VAL HG11 H 1 0.96 0.02 . 2 . . . . A 76 VAL HG11 . 34220 1 873 . 1 1 76 76 VAL HG12 H 1 0.96 0.02 . 2 . . . . A 76 VAL HG12 . 34220 1 874 . 1 1 76 76 VAL HG13 H 1 0.96 0.02 . 2 . . . . A 76 VAL HG13 . 34220 1 875 . 1 1 76 76 VAL HG21 H 1 0.804 0.02 . 2 . . . . A 76 VAL HG21 . 34220 1 876 . 1 1 76 76 VAL HG22 H 1 0.804 0.02 . 2 . . . . A 76 VAL HG22 . 34220 1 877 . 1 1 76 76 VAL HG23 H 1 0.804 0.02 . 2 . . . . A 76 VAL HG23 . 34220 1 878 . 1 1 76 76 VAL CA C 13 66.681 0.3 . 1 . . . . A 76 VAL CA . 34220 1 879 . 1 1 76 76 VAL CB C 13 31.536 0.3 . 1 . . . . A 76 VAL CB . 34220 1 880 . 1 1 76 76 VAL CG1 C 13 23.172 0.3 . 1 . . . . A 76 VAL CG1 . 34220 1 881 . 1 1 76 76 VAL CG2 C 13 21.059 0.3 . 1 . . . . A 76 VAL CG2 . 34220 1 882 . 1 1 76 76 VAL N N 15 119.101 0.3 . 1 . . . . A 76 VAL N . 34220 1 883 . 1 1 77 77 MET H H 1 8.325 0.02 . 1 . . . . A 77 MET H . 34220 1 884 . 1 1 77 77 MET HA H 1 4.417 0.02 . 1 . . . . A 77 MET HA . 34220 1 885 . 1 1 77 77 MET HB2 H 1 2.081 0.02 . 1 . . . . A 77 MET HB2 . 34220 1 886 . 1 1 77 77 MET HB3 H 1 2.081 0.02 . 1 . . . . A 77 MET HB3 . 34220 1 887 . 1 1 77 77 MET HG2 H 1 2.619 0.02 . 2 . . . . A 77 MET HG2 . 34220 1 888 . 1 1 77 77 MET HG3 H 1 2.571 0.02 . 2 . . . . A 77 MET HG3 . 34220 1 889 . 1 1 77 77 MET HE1 H 1 2.056 0.02 . 1 . . . . A 77 MET HE1 . 34220 1 890 . 1 1 77 77 MET HE2 H 1 2.056 0.02 . 1 . . . . A 77 MET HE2 . 34220 1 891 . 1 1 77 77 MET HE3 H 1 2.056 0.02 . 1 . . . . A 77 MET HE3 . 34220 1 892 . 1 1 77 77 MET CA C 13 56.813 0.3 . 1 . . . . A 77 MET CA . 34220 1 893 . 1 1 77 77 MET CB C 13 29.767 0.3 . 1 . . . . A 77 MET CB . 34220 1 894 . 1 1 77 77 MET CG C 13 31.798 0.3 . 1 . . . . A 77 MET CG . 34220 1 895 . 1 1 77 77 MET CE C 13 16.126 0.3 . 1 . . . . A 77 MET CE . 34220 1 896 . 1 1 77 77 MET N N 15 115.302 0.3 . 1 . . . . A 77 MET N . 34220 1 897 . 1 1 78 78 SER H H 1 8.258 0.02 . 1 . . . . A 78 SER H . 34220 1 898 . 1 1 78 78 SER HA H 1 4.245 0.02 . 1 . . . . A 78 SER HA . 34220 1 899 . 1 1 78 78 SER HB2 H 1 3.999 0.02 . 1 . . . . A 78 SER HB2 . 34220 1 900 . 1 1 78 78 SER HB3 H 1 3.999 0.02 . 1 . . . . A 78 SER HB3 . 34220 1 901 . 1 1 78 78 SER CA C 13 61.279 0.3 . 1 . . . . A 78 SER CA . 34220 1 902 . 1 1 78 78 SER CB C 13 62.901 0.3 . 1 . . . . A 78 SER CB . 34220 1 903 . 1 1 78 78 SER N N 15 116.105 0.3 . 1 . . . . A 78 SER N . 34220 1 904 . 1 1 79 79 LEU H H 1 7.436 0.02 . 1 . . . . A 79 LEU H . 34220 1 905 . 1 1 79 79 LEU HA H 1 4.272 0.02 . 1 . . . . A 79 LEU HA . 34220 1 906 . 1 1 79 79 LEU HB2 H 1 1.964 0.02 . 2 . . . . A 79 LEU HB2 . 34220 1 907 . 1 1 79 79 LEU HB3 H 1 1.601 0.02 . 2 . . . . A 79 LEU HB3 . 34220 1 908 . 1 1 79 79 LEU HG H 1 1.934 0.02 . 1 . . . . A 79 LEU HG . 34220 1 909 . 1 1 79 79 LEU HD11 H 1 0.898 0.02 . 2 . . . . A 79 LEU HD11 . 34220 1 910 . 1 1 79 79 LEU HD12 H 1 0.898 0.02 . 2 . . . . A 79 LEU HD12 . 34220 1 911 . 1 1 79 79 LEU HD13 H 1 0.898 0.02 . 2 . . . . A 79 LEU HD13 . 34220 1 912 . 1 1 79 79 LEU HD21 H 1 0.891 0.02 . 2 . . . . A 79 LEU HD21 . 34220 1 913 . 1 1 79 79 LEU HD22 H 1 0.891 0.02 . 2 . . . . A 79 LEU HD22 . 34220 1 914 . 1 1 79 79 LEU HD23 H 1 0.891 0.02 . 2 . . . . A 79 LEU HD23 . 34220 1 915 . 1 1 79 79 LEU CA C 13 55.975 0.3 . 1 . . . . A 79 LEU CA . 34220 1 916 . 1 1 79 79 LEU CB C 13 42.443 0.3 . 1 . . . . A 79 LEU CB . 34220 1 917 . 1 1 79 79 LEU CG C 13 26.318 0.3 . 1 . . . . A 79 LEU CG . 34220 1 918 . 1 1 79 79 LEU CD1 C 13 26.208 0.3 . 1 . . . . A 79 LEU CD1 . 34220 1 919 . 1 1 79 79 LEU CD2 C 13 23.183 0.3 . 1 . . . . A 79 LEU CD2 . 34220 1 920 . 1 1 79 79 LEU N N 15 120.004 0.3 . 1 . . . . A 79 LEU N . 34220 1 921 . 1 1 80 80 MET H H 1 7.577 0.02 . 1 . . . . A 80 MET H . 34220 1 922 . 1 1 80 80 MET HA H 1 4.598 0.02 . 1 . . . . A 80 MET HA . 34220 1 923 . 1 1 80 80 MET HB2 H 1 2.273 0.02 . 2 . . . . A 80 MET HB2 . 34220 1 924 . 1 1 80 80 MET HB3 H 1 2.083 0.02 . 2 . . . . A 80 MET HB3 . 34220 1 925 . 1 1 80 80 MET HG2 H 1 2.851 0.02 . 2 . . . . A 80 MET HG2 . 34220 1 926 . 1 1 80 80 MET HG3 H 1 2.795 0.02 . 2 . . . . A 80 MET HG3 . 34220 1 927 . 1 1 80 80 MET HE1 H 1 2.046 0.02 . 1 . . . . A 80 MET HE1 . 34220 1 928 . 1 1 80 80 MET HE2 H 1 2.046 0.02 . 1 . . . . A 80 MET HE2 . 34220 1 929 . 1 1 80 80 MET HE3 H 1 2.046 0.02 . 1 . . . . A 80 MET HE3 . 34220 1 930 . 1 1 80 80 MET CA C 13 54.641 0.3 . 1 . . . . A 80 MET CA . 34220 1 931 . 1 1 80 80 MET CB C 13 33.336 0.3 . 1 . . . . A 80 MET CB . 34220 1 932 . 1 1 80 80 MET CG C 13 32.317 0.3 . 1 . . . . A 80 MET CG . 34220 1 933 . 1 1 80 80 MET CE C 13 18.7 0.3 . 1 . . . . A 80 MET CE . 34220 1 934 . 1 1 80 80 MET N N 15 115.508 0.3 . 1 . . . . A 80 MET N . 34220 1 935 . 1 1 81 81 GLN H H 1 8.401 0.02 . 1 . . . . A 81 GLN H . 34220 1 936 . 1 1 81 81 GLN HA H 1 4.323 0.02 . 1 . . . . A 81 GLN HA . 34220 1 937 . 1 1 81 81 GLN HB2 H 1 2.126 0.02 . 2 . . . . A 81 GLN HB2 . 34220 1 938 . 1 1 81 81 GLN HB3 H 1 2.056 0.02 . 2 . . . . A 81 GLN HB3 . 34220 1 939 . 1 1 81 81 GLN HG2 H 1 2.411 0.02 . 1 . . . . A 81 GLN HG2 . 34220 1 940 . 1 1 81 81 GLN HG3 H 1 2.411 0.02 . 1 . . . . A 81 GLN HG3 . 34220 1 941 . 1 1 81 81 GLN HE21 H 1 7.552 0.02 . 1 . . . . A 81 GLN HE21 . 34220 1 942 . 1 1 81 81 GLN HE22 H 1 6.903 0.02 . 1 . . . . A 81 GLN HE22 . 34220 1 943 . 1 1 81 81 GLN CA C 13 56.03 0.3 . 1 . . . . A 81 GLN CA . 34220 1 944 . 1 1 81 81 GLN CB C 13 29.397 0.3 . 1 . . . . A 81 GLN CB . 34220 1 945 . 1 1 81 81 GLN CG C 13 33.724 0.3 . 1 . . . . A 81 GLN CG . 34220 1 946 . 1 1 81 81 GLN N N 15 120.21 0.3 . 1 . . . . A 81 GLN N . 34220 1 947 . 1 1 81 81 GLN NE2 N 15 112.309 0.3 . 1 . . . . A 81 GLN NE2 . 34220 1 948 . 1 1 82 82 SER H H 1 8.344 0.02 . 1 . . . . A 82 SER H . 34220 1 949 . 1 1 82 82 SER HA H 1 4.415 0.02 . 1 . . . . A 82 SER HA . 34220 1 950 . 1 1 82 82 SER HB2 H 1 3.881 0.02 . 1 . . . . A 82 SER HB2 . 34220 1 951 . 1 1 82 82 SER HB3 H 1 3.881 0.02 . 1 . . . . A 82 SER HB3 . 34220 1 952 . 1 1 82 82 SER CA C 13 58.326 0.3 . 1 . . . . A 82 SER CA . 34220 1 953 . 1 1 82 82 SER CB C 13 63.685 0.3 . 1 . . . . A 82 SER CB . 34220 1 954 . 1 1 82 82 SER N N 15 116.571 0.3 . 1 . . . . A 82 SER N . 34220 1 955 . 1 1 83 83 HIS H H 1 8.618 0.02 . 1 . . . . A 83 HIS H . 34220 1 956 . 1 1 83 83 HIS HA H 1 4.72 0.02 . 1 . . . . A 83 HIS HA . 34220 1 957 . 1 1 83 83 HIS HB2 H 1 3.297 0.02 . 2 . . . . A 83 HIS HB2 . 34220 1 958 . 1 1 83 83 HIS HB3 H 1 3.184 0.02 . 2 . . . . A 83 HIS HB3 . 34220 1 959 . 1 1 83 83 HIS HD2 H 1 7.29 0.02 . 1 . . . . A 83 HIS HD2 . 34220 1 960 . 1 1 83 83 HIS HE1 H 1 8.603 0.02 . 1 . . . . A 83 HIS HE1 . 34220 1 961 . 1 1 83 83 HIS CA C 13 55.259 0.3 . 1 . . . . A 83 HIS CA . 34220 1 962 . 1 1 83 83 HIS CB C 13 28.889 0.3 . 1 . . . . A 83 HIS CB . 34220 1 963 . 1 1 83 83 HIS CD2 C 13 120.097 0.3 . 1 . . . . A 83 HIS CD2 . 34220 1 964 . 1 1 83 83 HIS CE1 C 13 136.358 0.3 . 1 . . . . A 83 HIS CE1 . 34220 1 965 . 1 1 83 83 HIS N N 15 120.577 0.3 . 1 . . . . A 83 HIS N . 34220 1 966 . 1 1 84 84 GLN H H 1 8.463 0.02 . 1 . . . . A 84 GLN H . 34220 1 967 . 1 1 84 84 GLN HA H 1 4.374 0.02 . 1 . . . . A 84 GLN HA . 34220 1 968 . 1 1 84 84 GLN HB2 H 1 2.093 0.02 . 2 . . . . A 84 GLN HB2 . 34220 1 969 . 1 1 84 84 GLN HB3 H 1 1.953 0.02 . 2 . . . . A 84 GLN HB3 . 34220 1 970 . 1 1 84 84 GLN HG2 H 1 2.343 0.02 . 1 . . . . A 84 GLN HG2 . 34220 1 971 . 1 1 84 84 GLN HG3 H 1 2.343 0.02 . 1 . . . . A 84 GLN HG3 . 34220 1 972 . 1 1 84 84 GLN HE21 H 1 7.591 0.02 . 1 . . . . A 84 GLN HE21 . 34220 1 973 . 1 1 84 84 GLN HE22 H 1 6.873 0.02 . 1 . . . . A 84 GLN HE22 . 34220 1 974 . 1 1 84 84 GLN CA C 13 55.596 0.3 . 1 . . . . A 84 GLN CA . 34220 1 975 . 1 1 84 84 GLN CB C 13 29.683 0.3 . 1 . . . . A 84 GLN CB . 34220 1 976 . 1 1 84 84 GLN CG C 13 33.675 0.3 . 1 . . . . A 84 GLN CG . 34220 1 977 . 1 1 84 84 GLN N N 15 121.943 0.3 . 1 . . . . A 84 GLN N . 34220 1 978 . 1 1 84 84 GLN NE2 N 15 112.698 0.3 . 1 . . . . A 84 GLN NE2 . 34220 1 979 . 1 1 85 85 ASP H H 1 8.57 0.02 . 1 . . . . A 85 ASP H . 34220 1 980 . 1 1 85 85 ASP HA H 1 4.611 0.02 . 1 . . . . A 85 ASP HA . 34220 1 981 . 1 1 85 85 ASP HB2 H 1 2.747 0.02 . 2 . . . . A 85 ASP HB2 . 34220 1 982 . 1 1 85 85 ASP HB3 H 1 2.622 0.02 . 2 . . . . A 85 ASP HB3 . 34220 1 983 . 1 1 85 85 ASP CA C 13 54.389 0.3 . 1 . . . . A 85 ASP CA . 34220 1 984 . 1 1 85 85 ASP CB C 13 40.877 0.3 . 1 . . . . A 85 ASP CB . 34220 1 985 . 1 1 85 85 ASP N N 15 122.521 0.3 . 1 . . . . A 85 ASP N . 34220 1 986 . 1 1 86 86 LYS H H 1 7.904 0.02 . 1 . . . . A 86 LYS H . 34220 1 987 . 1 1 86 86 LYS HA H 1 4.152 0.02 . 1 . . . . A 86 LYS HA . 34220 1 988 . 1 1 86 86 LYS HB2 H 1 1.816 0.02 . 2 . . . . A 86 LYS HB2 . 34220 1 989 . 1 1 86 86 LYS HB3 H 1 1.703 0.02 . 2 . . . . A 86 LYS HB3 . 34220 1 990 . 1 1 86 86 LYS CA C 13 57.503 0.3 . 1 . . . . A 86 LYS CA . 34220 1 991 . 1 1 86 86 LYS CB C 13 33.645 0.3 . 1 . . . . A 86 LYS CB . 34220 1 992 . 1 1 86 86 LYS N N 15 125.67 0.3 . 1 . . . . A 86 LYS N . 34220 1 stop_ save_