data_34005 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34005 _Entry.Title ; Murin CXCL13 solution structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-03 _Entry.Accession_date 2016-06-03 _Entry.Last_release_date 2017-06-07 _Entry.Original_release_date 2017-06-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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_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 Y. Monneau Y. R. . . 34005 2 H. Lortat-Jacob H. . . . 34005 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Chemokine structure' . 34005 'GAG binding' . 34005 'N-terminal domain' . 34005 'Signaling protein' . 34005 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34005 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 313 34005 '15N chemical shifts' 81 34005 '1H chemical shifts' 602 34005 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 . . 2018-02-28 2016-06-03 update BMRB 'update entry citation' 34005 1 . . 2017-06-15 2016-06-03 original author 'original release' 34005 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5L7M 'BMRB Entry Tracking System' 34005 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34005 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1098/rsob.170133 _Citation.PubMed_ID 29070611 _Citation.Full_citation . _Citation.Title ; Solution structure of CXCL13 and heparan sulfate binding show that GAG binding site and cellular signalling rely on distinct domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Open Biol.' _Citation.Journal_name_full 'Open biology' _Citation.Journal_volume 7 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2046-2441 _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 170133 _Citation.Page_last 170133 _Citation.Year 2017 _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 Yoan Monneau Y. R. . . 34005 1 2 Lingjie Luo L. . . . 34005 1 3 'Nehru Viji' Sankaranarayanan N. V. . . 34005 1 4 Balaji Nagarajan B. . . . 34005 1 5 Romain Vives R. R. . . 34005 1 6 Francoise Baleux F. . . . 34005 1 7 Umesh Desai U. R. . . 34005 1 8 Fernando Arenzana-Seidedos F. . . . 34005 1 9 Hugues Lortat-Jacob H. . . . 34005 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34005 _Assembly.ID 1 _Assembly.Name 'C-X-C motif chemokine 13' _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 . . . . . . 34005 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34005 _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 ; ILEAHYTNLKCRCSGVISTV VGLNIIDRIQVTPPGNGCPK TEVVIWTKMKKVICVNPRAK WLQRLLRHVQSKSLSSTPQA PVSKRRAA ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9807.674 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'B lymphocyte chemoattractant' na 34005 1 'CXC chemokine BLC' na 34005 1 'Small-inducible cytokine B13' na 34005 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ILE . 34005 1 2 . LEU . 34005 1 3 . GLU . 34005 1 4 . ALA . 34005 1 5 . HIS . 34005 1 6 . TYR . 34005 1 7 . THR . 34005 1 8 . ASN . 34005 1 9 . LEU . 34005 1 10 . LYS . 34005 1 11 . CYS . 34005 1 12 . ARG . 34005 1 13 . CYS . 34005 1 14 . SER . 34005 1 15 . GLY . 34005 1 16 . VAL . 34005 1 17 . ILE . 34005 1 18 . SER . 34005 1 19 . THR . 34005 1 20 . VAL . 34005 1 21 . VAL . 34005 1 22 . GLY . 34005 1 23 . LEU . 34005 1 24 . ASN . 34005 1 25 . ILE . 34005 1 26 . ILE . 34005 1 27 . ASP . 34005 1 28 . ARG . 34005 1 29 . ILE . 34005 1 30 . GLN . 34005 1 31 . VAL . 34005 1 32 . THR . 34005 1 33 . PRO . 34005 1 34 . PRO . 34005 1 35 . GLY . 34005 1 36 . ASN . 34005 1 37 . GLY . 34005 1 38 . CYS . 34005 1 39 . PRO . 34005 1 40 . LYS . 34005 1 41 . THR . 34005 1 42 . GLU . 34005 1 43 . VAL . 34005 1 44 . VAL . 34005 1 45 . ILE . 34005 1 46 . TRP . 34005 1 47 . THR . 34005 1 48 . LYS . 34005 1 49 . MET . 34005 1 50 . LYS . 34005 1 51 . LYS . 34005 1 52 . VAL . 34005 1 53 . ILE . 34005 1 54 . CYS . 34005 1 55 . VAL . 34005 1 56 . ASN . 34005 1 57 . PRO . 34005 1 58 . ARG . 34005 1 59 . ALA . 34005 1 60 . LYS . 34005 1 61 . TRP . 34005 1 62 . LEU . 34005 1 63 . GLN . 34005 1 64 . ARG . 34005 1 65 . LEU . 34005 1 66 . LEU . 34005 1 67 . ARG . 34005 1 68 . HIS . 34005 1 69 . VAL . 34005 1 70 . GLN . 34005 1 71 . SER . 34005 1 72 . LYS . 34005 1 73 . SER . 34005 1 74 . LEU . 34005 1 75 . SER . 34005 1 76 . SER . 34005 1 77 . THR . 34005 1 78 . PRO . 34005 1 79 . GLN . 34005 1 80 . ALA . 34005 1 81 . PRO . 34005 1 82 . VAL . 34005 1 83 . SER . 34005 1 84 . LYS . 34005 1 85 . ARG . 34005 1 86 . ARG . 34005 1 87 . ALA . 34005 1 88 . ALA . 34005 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 . ILE 1 1 34005 1 . LEU 2 2 34005 1 . GLU 3 3 34005 1 . ALA 4 4 34005 1 . HIS 5 5 34005 1 . TYR 6 6 34005 1 . THR 7 7 34005 1 . ASN 8 8 34005 1 . LEU 9 9 34005 1 . LYS 10 10 34005 1 . CYS 11 11 34005 1 . ARG 12 12 34005 1 . CYS 13 13 34005 1 . SER 14 14 34005 1 . GLY 15 15 34005 1 . VAL 16 16 34005 1 . ILE 17 17 34005 1 . SER 18 18 34005 1 . THR 19 19 34005 1 . VAL 20 20 34005 1 . VAL 21 21 34005 1 . GLY 22 22 34005 1 . LEU 23 23 34005 1 . ASN 24 24 34005 1 . ILE 25 25 34005 1 . ILE 26 26 34005 1 . ASP 27 27 34005 1 . ARG 28 28 34005 1 . ILE 29 29 34005 1 . GLN 30 30 34005 1 . VAL 31 31 34005 1 . THR 32 32 34005 1 . PRO 33 33 34005 1 . PRO 34 34 34005 1 . GLY 35 35 34005 1 . ASN 36 36 34005 1 . GLY 37 37 34005 1 . CYS 38 38 34005 1 . PRO 39 39 34005 1 . LYS 40 40 34005 1 . THR 41 41 34005 1 . GLU 42 42 34005 1 . VAL 43 43 34005 1 . VAL 44 44 34005 1 . ILE 45 45 34005 1 . TRP 46 46 34005 1 . THR 47 47 34005 1 . LYS 48 48 34005 1 . MET 49 49 34005 1 . LYS 50 50 34005 1 . LYS 51 51 34005 1 . VAL 52 52 34005 1 . ILE 53 53 34005 1 . CYS 54 54 34005 1 . VAL 55 55 34005 1 . ASN 56 56 34005 1 . PRO 57 57 34005 1 . ARG 58 58 34005 1 . ALA 59 59 34005 1 . LYS 60 60 34005 1 . TRP 61 61 34005 1 . LEU 62 62 34005 1 . GLN 63 63 34005 1 . ARG 64 64 34005 1 . LEU 65 65 34005 1 . LEU 66 66 34005 1 . ARG 67 67 34005 1 . HIS 68 68 34005 1 . VAL 69 69 34005 1 . GLN 70 70 34005 1 . SER 71 71 34005 1 . LYS 72 72 34005 1 . SER 73 73 34005 1 . LEU 74 74 34005 1 . SER 75 75 34005 1 . SER 76 76 34005 1 . THR 77 77 34005 1 . PRO 78 78 34005 1 . GLN 79 79 34005 1 . ALA 80 80 34005 1 . PRO 81 81 34005 1 . VAL 82 82 34005 1 . SER 83 83 34005 1 . LYS 84 84 34005 1 . ARG 85 85 34005 1 . ARG 86 86 34005 1 . ALA 87 87 34005 1 . ALA 88 88 34005 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 34005 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . 'Cxcl13, Blc, Scyb13' . 34005 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 34005 _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 . . . 'Codon Plus' . . . . . . . . 34005 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34005 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '850 uM U-[15N] CXCL13, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CXCL13 [U-15N] . . 1 $entity_1 . . 850 . . uM . . . . 34005 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34005 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '560 uM U-[15N,13C] CXCL13, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CXCL13 '[U-15N; U-13C]' . . 1 $entity_1 . . 560 . . uM . . . . 34005 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34005 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '250 uM U-[15N] CXCL13, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CXCL13 [U-15N] . . 1 $entity_1 . . 250 . . uM . . . . 34005 3 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 34005 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 34005 1 pH 6 . pH 34005 1 pressure 1 . atm 34005 1 temperature 298 . K 34005 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34005 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34005 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34005 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34005 _Software.ID 2 _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' . . 34005 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34005 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34005 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34005 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34005 3 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 34005 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34005 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34005 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34005 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 700 . . . 34005 1 2 NMR_spectrometer_2 Bruker AvanceIII . 600 . . . 34005 1 3 NMR_spectrometer_3 Bruker AvanceIII . 850 . . . 34005 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 34005 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34005 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34005 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34005 1 4 '3D H(C)CH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34005 1 5 '3D (H)CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34005 1 6 '3D 1H-15N TOCSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34005 1 7 '3D 1H-15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34005 1 8 '2D (HB)CB(CG)(CD)HD' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34005 1 9 '3D 1H-13C NOESY-HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34005 1 10 '3D 1H-15N NOESY-HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34005 1 11 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34005 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34005 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 34005 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34005 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34005 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34005 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 34005 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 34005 1 2 '2D 1H-13C HSQC aliphatic' . . . 34005 1 3 '2D 1H-13C HSQC aromatic' . . . 34005 1 4 '3D H(C)CH-TOCSY' . . . 34005 1 5 '3D (H)CCH-TOCSY' . . . 34005 1 6 '3D 1H-15N TOCSY-HSQC' . . . 34005 1 7 '3D 1H-15N NOESY-HSQC' . . . 34005 1 8 '2D (HB)CB(CG)(CD)HD' . . . 34005 1 9 '3D 1H-13C NOESY-HMQC' . . . 34005 1 10 '3D 1H-15N NOESY-HSQC' . . . 34005 1 11 '3D HNCACB' . . . 34005 1 12 '2D 1H-15N HSQC' . . . 34005 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 34005 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 LEU HA H 1 4.373 . . 1 . . . . . 2 LEU HA . 34005 1 2 . 1 1 2 2 LEU HB2 H 1 1.663 . . 2 . . . . . 2 LEU HB2 . 34005 1 3 . 1 1 2 2 LEU HB3 H 1 1.546 . . 2 . . . . . 2 LEU HB3 . 34005 1 4 . 1 1 2 2 LEU HG H 1 1.588 . . 1 . . . . . 2 LEU HG . 34005 1 5 . 1 1 2 2 LEU HD11 H 1 0.827 . . 2 . . . . . 2 LEU HD11 . 34005 1 6 . 1 1 2 2 LEU HD12 H 1 0.827 . . 2 . . . . . 2 LEU HD12 . 34005 1 7 . 1 1 2 2 LEU HD13 H 1 0.827 . . 2 . . . . . 2 LEU HD13 . 34005 1 8 . 1 1 2 2 LEU HD21 H 1 0.892 . . 2 . . . . . 2 LEU HD21 . 34005 1 9 . 1 1 2 2 LEU HD22 H 1 0.892 . . 2 . . . . . 2 LEU HD22 . 34005 1 10 . 1 1 2 2 LEU HD23 H 1 0.892 . . 2 . . . . . 2 LEU HD23 . 34005 1 11 . 1 1 2 2 LEU C C 13 176.822 . . 1 . . . . . 2 LEU C . 34005 1 12 . 1 1 2 2 LEU CA C 13 54.979 . . 1 . . . . . 2 LEU CA . 34005 1 13 . 1 1 2 2 LEU CB C 13 42.444 . . 1 . . . . . 2 LEU CB . 34005 1 14 . 1 1 2 2 LEU CG C 13 27.097 . . 1 . . . . . 2 LEU CG . 34005 1 15 . 1 1 2 2 LEU CD1 C 13 23.911 . . 2 . . . . . 2 LEU CD1 . 34005 1 16 . 1 1 2 2 LEU CD2 C 13 25.070 . . 2 . . . . . 2 LEU CD2 . 34005 1 17 . 1 1 3 3 GLU H H 1 8.315 . . 1 . . . . . 3 GLU H . 34005 1 18 . 1 1 3 3 GLU HA H 1 4.208 . . 1 . . . . . 3 GLU HA . 34005 1 19 . 1 1 3 3 GLU HB2 H 1 1.973 . . 2 . . . . . 3 GLU HB2 . 34005 1 20 . 1 1 3 3 GLU HB3 H 1 1.884 . . 2 . . . . . 3 GLU HB3 . 34005 1 21 . 1 1 3 3 GLU HG2 H 1 2.214 . . 1 . . . . . 3 GLU HG2 . 34005 1 22 . 1 1 3 3 GLU HG3 H 1 2.214 . . 1 . . . . . 3 GLU HG3 . 34005 1 23 . 1 1 3 3 GLU C C 13 175.908 . . 1 . . . . . 3 GLU C . 34005 1 24 . 1 1 3 3 GLU CA C 13 56.517 . . 1 . . . . . 3 GLU CA . 34005 1 25 . 1 1 3 3 GLU CB C 13 30.398 . . 1 . . . . . 3 GLU CB . 34005 1 26 . 1 1 3 3 GLU CG C 13 36.402 . . 1 . . . . . 3 GLU CG . 34005 1 27 . 1 1 3 3 GLU N N 15 122.630 . . 1 . . . . . 3 GLU N . 34005 1 28 . 1 1 4 4 ALA H H 1 8.207 . . 1 . . . . . 4 ALA H . 34005 1 29 . 1 1 4 4 ALA HA H 1 4.197 . . 1 . . . . . 4 ALA HA . 34005 1 30 . 1 1 4 4 ALA HB1 H 1 1.240 . . 1 . . . . . 4 ALA HB1 . 34005 1 31 . 1 1 4 4 ALA HB2 H 1 1.240 . . 1 . . . . . 4 ALA HB2 . 34005 1 32 . 1 1 4 4 ALA HB3 H 1 1.240 . . 1 . . . . . 4 ALA HB3 . 34005 1 33 . 1 1 4 4 ALA C C 13 177.163 . . 1 . . . . . 4 ALA C . 34005 1 34 . 1 1 4 4 ALA CA C 13 52.577 . . 1 . . . . . 4 ALA CA . 34005 1 35 . 1 1 4 4 ALA CB C 13 19.237 . . 1 . . . . . 4 ALA CB . 34005 1 36 . 1 1 4 4 ALA N N 15 125.023 . . 1 . . . . . 4 ALA N . 34005 1 37 . 1 1 5 5 HIS H H 1 8.228 . . 1 . . . . . 5 HIS H . 34005 1 38 . 1 1 5 5 HIS HD2 H 1 7.048 . . 1 . . . . . 5 HIS HD2 . 34005 1 39 . 1 1 5 5 HIS HE1 H 1 8.303 . . 1 . . . . . 5 HIS HE1 . 34005 1 40 . 1 1 5 5 HIS C C 13 174.538 . . 1 . . . . . 5 HIS C . 34005 1 41 . 1 1 5 5 HIS CA C 13 55.657 . . 1 . . . . . 5 HIS CA . 34005 1 42 . 1 1 5 5 HIS CB C 13 29.862 . . 1 . . . . . 5 HIS CB . 34005 1 43 . 1 1 5 5 HIS CD2 C 13 119.567 . . 1 . . . . . 5 HIS CD2 . 34005 1 44 . 1 1 5 5 HIS CE1 C 13 136.822 . . 1 . . . . . 5 HIS CE1 . 34005 1 45 . 1 1 5 5 HIS N N 15 117.868 . . 1 . . . . . 5 HIS N . 34005 1 46 . 1 1 6 6 TYR H H 1 8.090 . . 1 . . . . . 6 TYR H . 34005 1 47 . 1 1 6 6 TYR HA H 1 4.662 . . 1 . . . . . 6 TYR HA . 34005 1 48 . 1 1 6 6 TYR HB2 H 1 3.017 . . 2 . . . . . 6 TYR HB2 . 34005 1 49 . 1 1 6 6 TYR HB3 H 1 2.837 . . 2 . . . . . 6 TYR HB3 . 34005 1 50 . 1 1 6 6 TYR HD1 H 1 7.103 . . 3 . . . . . 6 TYR HD1 . 34005 1 51 . 1 1 6 6 TYR HD2 H 1 7.103 . . 3 . . . . . 6 TYR HD2 . 34005 1 52 . 1 1 6 6 TYR HE1 H 1 6.782 . . 3 . . . . . 6 TYR HE1 . 34005 1 53 . 1 1 6 6 TYR HE2 H 1 6.782 . . 3 . . . . . 6 TYR HE2 . 34005 1 54 . 1 1 6 6 TYR C C 13 175.792 . . 1 . . . . . 6 TYR C . 34005 1 55 . 1 1 6 6 TYR CA C 13 57.935 . . 1 . . . . . 6 TYR CA . 34005 1 56 . 1 1 6 6 TYR CB C 13 38.789 . . 1 . . . . . 6 TYR CB . 34005 1 57 . 1 1 6 6 TYR CD1 C 13 133.282 . . 3 . . . . . 6 TYR CD1 . 34005 1 58 . 1 1 6 6 TYR CD2 C 13 133.282 . . 3 . . . . . 6 TYR CD2 . 34005 1 59 . 1 1 6 6 TYR CE1 C 13 118.277 . . 3 . . . . . 6 TYR CE1 . 34005 1 60 . 1 1 6 6 TYR CE2 C 13 118.277 . . 3 . . . . . 6 TYR CE2 . 34005 1 61 . 1 1 6 6 TYR N N 15 121.327 . . 1 . . . . . 6 TYR N . 34005 1 62 . 1 1 7 7 THR H H 1 8.043 . . 1 . . . . . 7 THR H . 34005 1 63 . 1 1 7 7 THR HA H 1 4.292 . . 1 . . . . . 7 THR HA . 34005 1 64 . 1 1 7 7 THR HB H 1 4.152 . . 1 . . . . . 7 THR HB . 34005 1 65 . 1 1 7 7 THR HG21 H 1 1.150 . . 1 . . . . . 7 THR HG21 . 34005 1 66 . 1 1 7 7 THR HG22 H 1 1.150 . . 1 . . . . . 7 THR HG22 . 34005 1 67 . 1 1 7 7 THR HG23 H 1 1.150 . . 1 . . . . . 7 THR HG23 . 34005 1 68 . 1 1 7 7 THR C C 13 173.663 . . 1 . . . . . 7 THR C . 34005 1 69 . 1 1 7 7 THR CA C 13 61.789 . . 1 . . . . . 7 THR CA . 34005 1 70 . 1 1 7 7 THR CB C 13 69.814 . . 1 . . . . . 7 THR CB . 34005 1 71 . 1 1 7 7 THR CG2 C 13 21.496 . . 1 . . . . . 7 THR CG2 . 34005 1 72 . 1 1 7 7 THR N N 15 115.574 . . 1 . . . . . 7 THR N . 34005 1 73 . 1 1 8 8 ASN H H 1 8.285 . . 1 . . . . . 8 ASN H . 34005 1 74 . 1 1 8 8 ASN HA H 1 4.744 . . 1 . . . . . 8 ASN HA . 34005 1 75 . 1 1 8 8 ASN HB2 H 1 2.839 . . 2 . . . . . 8 ASN HB2 . 34005 1 76 . 1 1 8 8 ASN HB3 H 1 2.772 . . 2 . . . . . 8 ASN HB3 . 34005 1 77 . 1 1 8 8 ASN C C 13 175.118 . . 1 . . . . . 8 ASN C . 34005 1 78 . 1 1 8 8 ASN CA C 13 53.205 . . 1 . . . . . 8 ASN CA . 34005 1 79 . 1 1 8 8 ASN CB C 13 38.897 . . 1 . . . . . 8 ASN CB . 34005 1 80 . 1 1 8 8 ASN N N 15 120.533 . . 1 . . . . . 8 ASN N . 34005 1 81 . 1 1 9 9 LEU H H 1 8.111 . . 1 . . . . . 9 LEU H . 34005 1 82 . 1 1 9 9 LEU HA H 1 4.347 . . 1 . . . . . 9 LEU HA . 34005 1 83 . 1 1 9 9 LEU C C 13 177.017 . . 1 . . . . . 9 LEU C . 34005 1 84 . 1 1 9 9 LEU CA C 13 55.651 . . 1 . . . . . 9 LEU CA . 34005 1 85 . 1 1 9 9 LEU CB C 13 42.477 . . 1 . . . . . 9 LEU CB . 34005 1 86 . 1 1 9 9 LEU CG C 13 27.039 . . 1 . . . . . 9 LEU CG . 34005 1 87 . 1 1 9 9 LEU CD1 C 13 23.429 . . 2 . . . . . 9 LEU CD1 . 34005 1 88 . 1 1 9 9 LEU CD2 C 13 25.234 . . 2 . . . . . 9 LEU CD2 . 34005 1 89 . 1 1 9 9 LEU N N 15 122.112 . . 1 . . . . . 9 LEU N . 34005 1 90 . 1 1 10 10 LYS H H 1 8.137 . . 1 . . . . . 10 LYS H . 34005 1 91 . 1 1 10 10 LYS HA H 1 4.429 . . 1 . . . . . 10 LYS HA . 34005 1 92 . 1 1 10 10 LYS HB2 H 1 1.705 . . 2 . . . . . 10 LYS HB2 . 34005 1 93 . 1 1 10 10 LYS HB3 H 1 1.873 . . 2 . . . . . 10 LYS HB3 . 34005 1 94 . 1 1 10 10 LYS HG2 H 1 1.405 . . 2 . . . . . 10 LYS HG2 . 34005 1 95 . 1 1 10 10 LYS HG3 H 1 1.678 . . 2 . . . . . 10 LYS HG3 . 34005 1 96 . 1 1 10 10 LYS HE2 H 1 3.009 . . 2 . . . . . 10 LYS HE2 . 34005 1 97 . 1 1 10 10 LYS HE3 H 1 3.009 . . 2 . . . . . 10 LYS HE3 . 34005 1 98 . 1 1 10 10 LYS C C 13 176.507 . . 1 . . . . . 10 LYS C . 34005 1 99 . 1 1 10 10 LYS CA C 13 55.320 . . 1 . . . . . 10 LYS CA . 34005 1 100 . 1 1 10 10 LYS CB C 13 33.068 . . 1 . . . . . 10 LYS CB . 34005 1 101 . 1 1 10 10 LYS CG C 13 24.813 . . 1 . . . . . 10 LYS CG . 34005 1 102 . 1 1 10 10 LYS CD C 13 28.861 . . 1 . . . . . 10 LYS CD . 34005 1 103 . 1 1 10 10 LYS CE C 13 42.190 . . 1 . . . . . 10 LYS CE . 34005 1 104 . 1 1 10 10 LYS N N 15 119.034 . . 1 . . . . . 10 LYS N . 34005 1 105 . 1 1 11 11 CYS H H 1 8.269 . . 1 . . . . . 11 CYS H . 34005 1 106 . 1 1 11 11 CYS HA H 1 4.551 . . 1 . . . . . 11 CYS HA . 34005 1 107 . 1 1 11 11 CYS HB2 H 1 3.929 . . 2 . . . . . 11 CYS HB2 . 34005 1 108 . 1 1 11 11 CYS HB3 H 1 2.635 . . 2 . . . . . 11 CYS HB3 . 34005 1 109 . 1 1 11 11 CYS CA C 13 54.826 . . 1 . . . . . 11 CYS CA . 34005 1 110 . 1 1 11 11 CYS CB C 13 38.997 . . 1 . . . . . 11 CYS CB . 34005 1 111 . 1 1 11 11 CYS N N 15 119.269 . . 1 . . . . . 11 CYS N . 34005 1 112 . 1 1 12 12 ARG H H 1 11.301 . . 1 . . . . . 12 ARG H . 34005 1 113 . 1 1 12 12 ARG HA H 1 4.221 . . 1 . . . . . 12 ARG HA . 34005 1 114 . 1 1 12 12 ARG HB2 H 1 1.744 . . 2 . . . . . 12 ARG HB2 . 34005 1 115 . 1 1 12 12 ARG HB3 H 1 1.799 . . 2 . . . . . 12 ARG HB3 . 34005 1 116 . 1 1 12 12 ARG HG2 H 1 1.631 . . 2 . . . . . 12 ARG HG2 . 34005 1 117 . 1 1 12 12 ARG HG3 H 1 1.647 . . 2 . . . . . 12 ARG HG3 . 34005 1 118 . 1 1 12 12 ARG HD2 H 1 3.098 . . 2 . . . . . 12 ARG HD2 . 34005 1 119 . 1 1 12 12 ARG HD3 H 1 3.094 . . 2 . . . . . 12 ARG HD3 . 34005 1 120 . 1 1 12 12 ARG CA C 13 57.671 . . 1 . . . . . 12 ARG CA . 34005 1 121 . 1 1 12 12 ARG CB C 13 31.744 . . 1 . . . . . 12 ARG CB . 34005 1 122 . 1 1 12 12 ARG CG C 13 27.421 . . 1 . . . . . 12 ARG CG . 34005 1 123 . 1 1 12 12 ARG CD C 13 43.634 . . 1 . . . . . 12 ARG CD . 34005 1 124 . 1 1 12 12 ARG N N 15 127.141 . . 1 . . . . . 12 ARG N . 34005 1 125 . 1 1 13 13 CYS H H 1 9.397 . . 1 . . . . . 13 CYS H . 34005 1 126 . 1 1 13 13 CYS HA H 1 4.747 . . 1 . . . . . 13 CYS HA . 34005 1 127 . 1 1 13 13 CYS HB2 H 1 2.965 . . 2 . . . . . 13 CYS HB2 . 34005 1 128 . 1 1 13 13 CYS HB3 H 1 3.151 . . 2 . . . . . 13 CYS HB3 . 34005 1 129 . 1 1 13 13 CYS CA C 13 54.667 . . 1 . . . . . 13 CYS CA . 34005 1 130 . 1 1 13 13 CYS CB C 13 42.865 . . 1 . . . . . 13 CYS CB . 34005 1 131 . 1 1 13 13 CYS N N 15 120.183 . . 1 . . . . . 13 CYS N . 34005 1 132 . 1 1 14 14 SER H H 1 8.757 . . 1 . . . . . 14 SER H . 34005 1 133 . 1 1 14 14 SER HA H 1 4.412 . . 1 . . . . . 14 SER HA . 34005 1 134 . 1 1 14 14 SER CA C 13 58.612 . . 1 . . . . . 14 SER CA . 34005 1 135 . 1 1 14 14 SER CB C 13 63.069 . . 1 . . . . . 14 SER CB . 34005 1 136 . 1 1 14 14 SER N N 15 119.870 . . 1 . . . . . 14 SER N . 34005 1 137 . 1 1 15 15 GLY H H 1 7.905 . . 1 . . . . . 15 GLY H . 34005 1 138 . 1 1 15 15 GLY HA2 H 1 3.892 . . 2 . . . . . 15 GLY HA2 . 34005 1 139 . 1 1 15 15 GLY HA3 H 1 4.012 . . 2 . . . . . 15 GLY HA3 . 34005 1 140 . 1 1 15 15 GLY CA C 13 44.752 . . 1 . . . . . 15 GLY CA . 34005 1 141 . 1 1 15 15 GLY N N 15 110.733 . . 1 . . . . . 15 GLY N . 34005 1 142 . 1 1 16 16 VAL H H 1 8.122 . . 1 . . . . . 16 VAL H . 34005 1 143 . 1 1 16 16 VAL HA H 1 4.488 . . 1 . . . . . 16 VAL HA . 34005 1 144 . 1 1 16 16 VAL HB H 1 1.878 . . 1 . . . . . 16 VAL HB . 34005 1 145 . 1 1 16 16 VAL HG11 H 1 0.772 . . 1 . . . . . 16 VAL HG11 . 34005 1 146 . 1 1 16 16 VAL HG12 H 1 0.772 . . 1 . . . . . 16 VAL HG12 . 34005 1 147 . 1 1 16 16 VAL HG13 H 1 0.772 . . 1 . . . . . 16 VAL HG13 . 34005 1 148 . 1 1 16 16 VAL HG21 H 1 0.779 . . 1 . . . . . 16 VAL HG21 . 34005 1 149 . 1 1 16 16 VAL HG22 H 1 0.779 . . 1 . . . . . 16 VAL HG22 . 34005 1 150 . 1 1 16 16 VAL HG23 H 1 0.779 . . 1 . . . . . 16 VAL HG23 . 34005 1 151 . 1 1 16 16 VAL CA C 13 60.049 . . 1 . . . . . 16 VAL CA . 34005 1 152 . 1 1 16 16 VAL CB C 13 34.827 . . 1 . . . . . 16 VAL CB . 34005 1 153 . 1 1 16 16 VAL CG1 C 13 22.001 . . 1 . . . . . 16 VAL CG1 . 34005 1 154 . 1 1 16 16 VAL CG2 C 13 19.249 . . 1 . . . . . 16 VAL CG2 . 34005 1 155 . 1 1 16 16 VAL N N 15 114.774 . . 1 . . . . . 16 VAL N . 34005 1 156 . 1 1 17 17 ILE H H 1 8.441 . . 1 . . . . . 17 ILE H . 34005 1 157 . 1 1 17 17 ILE HA H 1 4.549 . . 1 . . . . . 17 ILE HA . 34005 1 158 . 1 1 17 17 ILE HB H 1 1.969 . . 1 . . . . . 17 ILE HB . 34005 1 159 . 1 1 17 17 ILE HG12 H 1 1.300 . . 2 . . . . . 17 ILE HG12 . 34005 1 160 . 1 1 17 17 ILE HG13 H 1 1.482 . . 2 . . . . . 17 ILE HG13 . 34005 1 161 . 1 1 17 17 ILE HG21 H 1 0.962 . . 1 . . . . . 17 ILE HG21 . 34005 1 162 . 1 1 17 17 ILE HG22 H 1 0.962 . . 1 . . . . . 17 ILE HG22 . 34005 1 163 . 1 1 17 17 ILE HG23 H 1 0.962 . . 1 . . . . . 17 ILE HG23 . 34005 1 164 . 1 1 17 17 ILE HD11 H 1 0.790 . . 1 . . . . . 17 ILE HD11 . 34005 1 165 . 1 1 17 17 ILE HD12 H 1 0.790 . . 1 . . . . . 17 ILE HD12 . 34005 1 166 . 1 1 17 17 ILE HD13 H 1 0.790 . . 1 . . . . . 17 ILE HD13 . 34005 1 167 . 1 1 17 17 ILE CA C 13 60.240 . . 1 . . . . . 17 ILE CA . 34005 1 168 . 1 1 17 17 ILE CB C 13 39.981 . . 1 . . . . . 17 ILE CB . 34005 1 169 . 1 1 17 17 ILE CG1 C 13 26.863 . . 1 . . . . . 17 ILE CG1 . 34005 1 170 . 1 1 17 17 ILE CG2 C 13 18.119 . . 1 . . . . . 17 ILE CG2 . 34005 1 171 . 1 1 17 17 ILE CD1 C 13 13.421 . . 1 . . . . . 17 ILE CD1 . 34005 1 172 . 1 1 17 17 ILE N N 15 121.144 . . 1 . . . . . 17 ILE N . 34005 1 173 . 1 1 18 18 SER H H 1 9.077 . . 1 . . . . . 18 SER H . 34005 1 174 . 1 1 18 18 SER HA H 1 4.779 . . 1 . . . . . 18 SER HA . 34005 1 175 . 1 1 18 18 SER HB2 H 1 3.955 . . 2 . . . . . 18 SER HB2 . 34005 1 176 . 1 1 18 18 SER HB3 H 1 3.955 . . 2 . . . . . 18 SER HB3 . 34005 1 177 . 1 1 18 18 SER CA C 13 58.727 . . 1 . . . . . 18 SER CA . 34005 1 178 . 1 1 18 18 SER CB C 13 64.447 . . 1 . . . . . 18 SER CB . 34005 1 179 . 1 1 18 18 SER N N 15 118.780 . . 1 . . . . . 18 SER N . 34005 1 180 . 1 1 19 19 THR H H 1 7.427 . . 1 . . . . . 19 THR H . 34005 1 181 . 1 1 19 19 THR HA H 1 4.236 . . 1 . . . . . 19 THR HA . 34005 1 182 . 1 1 19 19 THR HB H 1 4.055 . . 1 . . . . . 19 THR HB . 34005 1 183 . 1 1 19 19 THR HG21 H 1 1.140 . . 1 . . . . . 19 THR HG21 . 34005 1 184 . 1 1 19 19 THR HG22 H 1 1.140 . . 1 . . . . . 19 THR HG22 . 34005 1 185 . 1 1 19 19 THR HG23 H 1 1.140 . . 1 . . . . . 19 THR HG23 . 34005 1 186 . 1 1 19 19 THR CA C 13 61.345 . . 1 . . . . . 19 THR CA . 34005 1 187 . 1 1 19 19 THR CB C 13 69.936 . . 1 . . . . . 19 THR CB . 34005 1 188 . 1 1 19 19 THR CG2 C 13 21.664 . . 1 . . . . . 19 THR CG2 . 34005 1 189 . 1 1 19 19 THR N N 15 116.210 . . 1 . . . . . 19 THR N . 34005 1 190 . 1 1 20 20 VAL H H 1 7.656 . . 1 . . . . . 20 VAL H . 34005 1 191 . 1 1 20 20 VAL HA H 1 2.091 . . 1 . . . . . 20 VAL HA . 34005 1 192 . 1 1 20 20 VAL HB H 1 1.348 . . 1 . . . . . 20 VAL HB . 34005 1 193 . 1 1 20 20 VAL HG11 H 1 0.220 . . 1 . . . . . 20 VAL HG11 . 34005 1 194 . 1 1 20 20 VAL HG12 H 1 0.220 . . 1 . . . . . 20 VAL HG12 . 34005 1 195 . 1 1 20 20 VAL HG13 H 1 0.220 . . 1 . . . . . 20 VAL HG13 . 34005 1 196 . 1 1 20 20 VAL HG21 H 1 0.419 . . 1 . . . . . 20 VAL HG21 . 34005 1 197 . 1 1 20 20 VAL HG22 H 1 0.419 . . 1 . . . . . 20 VAL HG22 . 34005 1 198 . 1 1 20 20 VAL HG23 H 1 0.419 . . 1 . . . . . 20 VAL HG23 . 34005 1 199 . 1 1 20 20 VAL CA C 13 62.753 . . 1 . . . . . 20 VAL CA . 34005 1 200 . 1 1 20 20 VAL CB C 13 32.256 . . 1 . . . . . 20 VAL CB . 34005 1 201 . 1 1 20 20 VAL CG1 C 13 20.241 . . 1 . . . . . 20 VAL CG1 . 34005 1 202 . 1 1 20 20 VAL CG2 C 13 20.868 . . 1 . . . . . 20 VAL CG2 . 34005 1 203 . 1 1 20 20 VAL N N 15 120.206 . . 1 . . . . . 20 VAL N . 34005 1 204 . 1 1 21 21 VAL H H 1 5.205 . . 1 . . . . . 21 VAL H . 34005 1 205 . 1 1 21 21 VAL HA H 1 3.795 . . 1 . . . . . 21 VAL HA . 34005 1 206 . 1 1 21 21 VAL HB H 1 1.626 . . 1 . . . . . 21 VAL HB . 34005 1 207 . 1 1 21 21 VAL HG11 H 1 0.671 . . 1 . . . . . 21 VAL HG11 . 34005 1 208 . 1 1 21 21 VAL HG12 H 1 0.671 . . 1 . . . . . 21 VAL HG12 . 34005 1 209 . 1 1 21 21 VAL HG13 H 1 0.671 . . 1 . . . . . 21 VAL HG13 . 34005 1 210 . 1 1 21 21 VAL HG21 H 1 0.717 . . 1 . . . . . 21 VAL HG21 . 34005 1 211 . 1 1 21 21 VAL HG22 H 1 0.717 . . 1 . . . . . 21 VAL HG22 . 34005 1 212 . 1 1 21 21 VAL HG23 H 1 0.717 . . 1 . . . . . 21 VAL HG23 . 34005 1 213 . 1 1 21 21 VAL CA C 13 60.847 . . 1 . . . . . 21 VAL CA . 34005 1 214 . 1 1 21 21 VAL CB C 13 33.521 . . 1 . . . . . 21 VAL CB . 34005 1 215 . 1 1 21 21 VAL CG1 C 13 20.998 . . 1 . . . . . 21 VAL CG1 . 34005 1 216 . 1 1 21 21 VAL CG2 C 13 21.228 . . 1 . . . . . 21 VAL CG2 . 34005 1 217 . 1 1 22 22 GLY H H 1 8.154 . . 1 . . . . . 22 GLY H . 34005 1 218 . 1 1 22 22 GLY HA2 H 1 3.542 . . 2 . . . . . 22 GLY HA2 . 34005 1 219 . 1 1 22 22 GLY HA3 H 1 3.812 . . 2 . . . . . 22 GLY HA3 . 34005 1 220 . 1 1 22 22 GLY CA C 13 45.144 . . 1 . . . . . 22 GLY CA . 34005 1 221 . 1 1 22 22 GLY N N 15 112.123 . . 1 . . . . . 22 GLY N . 34005 1 222 . 1 1 23 23 LEU H H 1 8.170 . . 1 . . . . . 23 LEU H . 34005 1 223 . 1 1 23 23 LEU HA H 1 3.849 . . 1 . . . . . 23 LEU HA . 34005 1 224 . 1 1 23 23 LEU HB2 H 1 1.540 . . 2 . . . . . 23 LEU HB2 . 34005 1 225 . 1 1 23 23 LEU HB3 H 1 1.586 . . 2 . . . . . 23 LEU HB3 . 34005 1 226 . 1 1 23 23 LEU HG H 1 1.682 . . 1 . . . . . 23 LEU HG . 34005 1 227 . 1 1 23 23 LEU HD11 H 1 0.883 . . 1 . . . . . 23 LEU HD11 . 34005 1 228 . 1 1 23 23 LEU HD12 H 1 0.883 . . 1 . . . . . 23 LEU HD12 . 34005 1 229 . 1 1 23 23 LEU HD13 H 1 0.883 . . 1 . . . . . 23 LEU HD13 . 34005 1 230 . 1 1 23 23 LEU HD21 H 1 0.837 . . 1 . . . . . 23 LEU HD21 . 34005 1 231 . 1 1 23 23 LEU HD22 H 1 0.837 . . 1 . . . . . 23 LEU HD22 . 34005 1 232 . 1 1 23 23 LEU HD23 H 1 0.837 . . 1 . . . . . 23 LEU HD23 . 34005 1 233 . 1 1 23 23 LEU CA C 13 57.689 . . 1 . . . . . 23 LEU CA . 34005 1 234 . 1 1 23 23 LEU CB C 13 41.774 . . 1 . . . . . 23 LEU CB . 34005 1 235 . 1 1 23 23 LEU CG C 13 27.164 . . 1 . . . . . 23 LEU CG . 34005 1 236 . 1 1 23 23 LEU CD1 C 13 24.450 . . 1 . . . . . 23 LEU CD1 . 34005 1 237 . 1 1 23 23 LEU CD2 C 13 24.669 . . 1 . . . . . 23 LEU CD2 . 34005 1 238 . 1 1 23 23 LEU N N 15 122.616 . . 1 . . . . . 23 LEU N . 34005 1 239 . 1 1 24 24 ASN H H 1 8.463 . . 1 . . . . . 24 ASN H . 34005 1 240 . 1 1 24 24 ASN HA H 1 4.382 . . 1 . . . . . 24 ASN HA . 34005 1 241 . 1 1 24 24 ASN HB2 H 1 2.753 . . 2 . . . . . 24 ASN HB2 . 34005 1 242 . 1 1 24 24 ASN HB3 H 1 2.840 . . 2 . . . . . 24 ASN HB3 . 34005 1 243 . 1 1 24 24 ASN CA C 13 55.137 . . 1 . . . . . 24 ASN CA . 34005 1 244 . 1 1 24 24 ASN CB C 13 37.257 . . 1 . . . . . 24 ASN CB . 34005 1 245 . 1 1 24 24 ASN N N 15 112.984 . . 1 . . . . . 24 ASN N . 34005 1 246 . 1 1 25 25 ILE H H 1 7.343 . . 1 . . . . . 25 ILE H . 34005 1 247 . 1 1 25 25 ILE HA H 1 4.482 . . 1 . . . . . 25 ILE HA . 34005 1 248 . 1 1 25 25 ILE HB H 1 2.193 . . 1 . . . . . 25 ILE HB . 34005 1 249 . 1 1 25 25 ILE HG12 H 1 1.150 . . 2 . . . . . 25 ILE HG12 . 34005 1 250 . 1 1 25 25 ILE HG13 H 1 1.297 . . 2 . . . . . 25 ILE HG13 . 34005 1 251 . 1 1 25 25 ILE HG21 H 1 0.833 . . 1 . . . . . 25 ILE HG21 . 34005 1 252 . 1 1 25 25 ILE HG22 H 1 0.833 . . 1 . . . . . 25 ILE HG22 . 34005 1 253 . 1 1 25 25 ILE HG23 H 1 0.833 . . 1 . . . . . 25 ILE HG23 . 34005 1 254 . 1 1 25 25 ILE HD11 H 1 0.829 . . 1 . . . . . 25 ILE HD11 . 34005 1 255 . 1 1 25 25 ILE HD12 H 1 0.829 . . 1 . . . . . 25 ILE HD12 . 34005 1 256 . 1 1 25 25 ILE HD13 H 1 0.829 . . 1 . . . . . 25 ILE HD13 . 34005 1 257 . 1 1 25 25 ILE CA C 13 60.597 . . 1 . . . . . 25 ILE CA . 34005 1 258 . 1 1 25 25 ILE CB C 13 39.238 . . 1 . . . . . 25 ILE CB . 34005 1 259 . 1 1 25 25 ILE CG1 C 13 26.883 . . 1 . . . . . 25 ILE CG1 . 34005 1 260 . 1 1 25 25 ILE CG2 C 13 17.798 . . 1 . . . . . 25 ILE CG2 . 34005 1 261 . 1 1 25 25 ILE CD1 C 13 14.555 . . 1 . . . . . 25 ILE CD1 . 34005 1 262 . 1 1 25 25 ILE N N 15 112.775 . . 1 . . . . . 25 ILE N . 34005 1 263 . 1 1 26 26 ILE H H 1 7.339 . . 1 . . . . . 26 ILE H . 34005 1 264 . 1 1 26 26 ILE HA H 1 3.499 . . 1 . . . . . 26 ILE HA . 34005 1 265 . 1 1 26 26 ILE HB H 1 1.903 . . 1 . . . . . 26 ILE HB . 34005 1 266 . 1 1 26 26 ILE HG12 H 1 1.997 . . 2 . . . . . 26 ILE HG12 . 34005 1 267 . 1 1 26 26 ILE HG13 H 1 0.693 . . 2 . . . . . 26 ILE HG13 . 34005 1 268 . 1 1 26 26 ILE HG21 H 1 0.740 . . 1 . . . . . 26 ILE HG21 . 34005 1 269 . 1 1 26 26 ILE HG22 H 1 0.740 . . 1 . . . . . 26 ILE HG22 . 34005 1 270 . 1 1 26 26 ILE HG23 H 1 0.740 . . 1 . . . . . 26 ILE HG23 . 34005 1 271 . 1 1 26 26 ILE HD11 H 1 0.816 . . 1 . . . . . 26 ILE HD11 . 34005 1 272 . 1 1 26 26 ILE HD12 H 1 0.816 . . 1 . . . . . 26 ILE HD12 . 34005 1 273 . 1 1 26 26 ILE HD13 H 1 0.816 . . 1 . . . . . 26 ILE HD13 . 34005 1 274 . 1 1 26 26 ILE CA C 13 64.301 . . 1 . . . . . 26 ILE CA . 34005 1 275 . 1 1 26 26 ILE CB C 13 39.291 . . 1 . . . . . 26 ILE CB . 34005 1 276 . 1 1 26 26 ILE CG1 C 13 28.115 . . 1 . . . . . 26 ILE CG1 . 34005 1 277 . 1 1 26 26 ILE CG2 C 13 16.816 . . 1 . . . . . 26 ILE CG2 . 34005 1 278 . 1 1 26 26 ILE CD1 C 13 14.573 . . 1 . . . . . 26 ILE CD1 . 34005 1 279 . 1 1 26 26 ILE N N 15 123.170 . . 1 . . . . . 26 ILE N . 34005 1 280 . 1 1 27 27 ASP H H 1 9.053 . . 1 . . . . . 27 ASP H . 34005 1 281 . 1 1 27 27 ASP HA H 1 4.892 . . 1 . . . . . 27 ASP HA . 34005 1 282 . 1 1 27 27 ASP HB2 H 1 2.161 . . 2 . . . . . 27 ASP HB2 . 34005 1 283 . 1 1 27 27 ASP HB3 H 1 2.583 . . 2 . . . . . 27 ASP HB3 . 34005 1 284 . 1 1 27 27 ASP CA C 13 55.460 . . 1 . . . . . 27 ASP CA . 34005 1 285 . 1 1 27 27 ASP CB C 13 43.766 . . 1 . . . . . 27 ASP CB . 34005 1 286 . 1 1 27 27 ASP N N 15 127.762 . . 1 . . . . . 27 ASP N . 34005 1 287 . 1 1 28 28 ARG H H 1 7.901 . . 1 . . . . . 28 ARG H . 34005 1 288 . 1 1 28 28 ARG HA H 1 4.691 . . 1 . . . . . 28 ARG HA . 34005 1 289 . 1 1 28 28 ARG HB2 H 1 1.728 . . 2 . . . . . 28 ARG HB2 . 34005 1 290 . 1 1 28 28 ARG HB3 H 1 1.730 . . 2 . . . . . 28 ARG HB3 . 34005 1 291 . 1 1 28 28 ARG HG2 H 1 1.405 . . 2 . . . . . 28 ARG HG2 . 34005 1 292 . 1 1 28 28 ARG HG3 H 1 1.406 . . 2 . . . . . 28 ARG HG3 . 34005 1 293 . 1 1 28 28 ARG HD2 H 1 2.672 . . 2 . . . . . 28 ARG HD2 . 34005 1 294 . 1 1 28 28 ARG HD3 H 1 2.681 . . 2 . . . . . 28 ARG HD3 . 34005 1 295 . 1 1 28 28 ARG CA C 13 55.039 . . 1 . . . . . 28 ARG CA . 34005 1 296 . 1 1 28 28 ARG CB C 13 33.809 . . 1 . . . . . 28 ARG CB . 34005 1 297 . 1 1 28 28 ARG CG C 13 26.942 . . 1 . . . . . 28 ARG CG . 34005 1 298 . 1 1 28 28 ARG CD C 13 43.151 . . 1 . . . . . 28 ARG CD . 34005 1 299 . 1 1 28 28 ARG N N 15 114.365 . . 1 . . . . . 28 ARG N . 34005 1 300 . 1 1 29 29 ILE H H 1 8.647 . . 1 . . . . . 29 ILE H . 34005 1 301 . 1 1 29 29 ILE HA H 1 5.135 . . 1 . . . . . 29 ILE HA . 34005 1 302 . 1 1 29 29 ILE HB H 1 1.607 . . 1 . . . . . 29 ILE HB . 34005 1 303 . 1 1 29 29 ILE HG12 H 1 1.588 . . 2 . . . . . 29 ILE HG12 . 34005 1 304 . 1 1 29 29 ILE HG13 H 1 0.870 . . 2 . . . . . 29 ILE HG13 . 34005 1 305 . 1 1 29 29 ILE HG21 H 1 0.743 . . 1 . . . . . 29 ILE HG21 . 34005 1 306 . 1 1 29 29 ILE HG22 H 1 0.743 . . 1 . . . . . 29 ILE HG22 . 34005 1 307 . 1 1 29 29 ILE HG23 H 1 0.743 . . 1 . . . . . 29 ILE HG23 . 34005 1 308 . 1 1 29 29 ILE HD11 H 1 0.760 . . 1 . . . . . 29 ILE HD11 . 34005 1 309 . 1 1 29 29 ILE HD12 H 1 0.760 . . 1 . . . . . 29 ILE HD12 . 34005 1 310 . 1 1 29 29 ILE HD13 H 1 0.760 . . 1 . . . . . 29 ILE HD13 . 34005 1 311 . 1 1 29 29 ILE CA C 13 60.359 . . 1 . . . . . 29 ILE CA . 34005 1 312 . 1 1 29 29 ILE CB C 13 41.315 . . 1 . . . . . 29 ILE CB . 34005 1 313 . 1 1 29 29 ILE CG1 C 13 28.083 . . 1 . . . . . 29 ILE CG1 . 34005 1 314 . 1 1 29 29 ILE CG2 C 13 16.827 . . 1 . . . . . 29 ILE CG2 . 34005 1 315 . 1 1 29 29 ILE CD1 C 13 14.528 . . 1 . . . . . 29 ILE CD1 . 34005 1 316 . 1 1 29 29 ILE N N 15 121.462 . . 1 . . . . . 29 ILE N . 34005 1 317 . 1 1 30 30 GLN H H 1 9.544 . . 1 . . . . . 30 GLN H . 34005 1 318 . 1 1 30 30 GLN HA H 1 4.784 . . 1 . . . . . 30 GLN HA . 34005 1 319 . 1 1 30 30 GLN HB2 H 1 2.025 . . 2 . . . . . 30 GLN HB2 . 34005 1 320 . 1 1 30 30 GLN HB3 H 1 2.284 . . 2 . . . . . 30 GLN HB3 . 34005 1 321 . 1 1 30 30 GLN HG2 H 1 2.228 . . 2 . . . . . 30 GLN HG2 . 34005 1 322 . 1 1 30 30 GLN HG3 H 1 2.297 . . 2 . . . . . 30 GLN HG3 . 34005 1 323 . 1 1 30 30 GLN CA C 13 55.040 . . 1 . . . . . 30 GLN CA . 34005 1 324 . 1 1 30 30 GLN CB C 13 33.039 . . 1 . . . . . 30 GLN CB . 34005 1 325 . 1 1 30 30 GLN CG C 13 34.071 . . 1 . . . . . 30 GLN CG . 34005 1 326 . 1 1 30 30 GLN N N 15 127.865 . . 1 . . . . . 30 GLN N . 34005 1 327 . 1 1 31 31 VAL H H 1 8.900 . . 1 . . . . . 31 VAL H . 34005 1 328 . 1 1 31 31 VAL HA H 1 4.764 . . 1 . . . . . 31 VAL HA . 34005 1 329 . 1 1 31 31 VAL HB H 1 1.982 . . 1 . . . . . 31 VAL HB . 34005 1 330 . 1 1 31 31 VAL HG11 H 1 0.741 . . 1 . . . . . 31 VAL HG11 . 34005 1 331 . 1 1 31 31 VAL HG12 H 1 0.741 . . 1 . . . . . 31 VAL HG12 . 34005 1 332 . 1 1 31 31 VAL HG13 H 1 0.741 . . 1 . . . . . 31 VAL HG13 . 34005 1 333 . 1 1 31 31 VAL HG21 H 1 0.888 . . 1 . . . . . 31 VAL HG21 . 34005 1 334 . 1 1 31 31 VAL HG22 H 1 0.888 . . 1 . . . . . 31 VAL HG22 . 34005 1 335 . 1 1 31 31 VAL HG23 H 1 0.888 . . 1 . . . . . 31 VAL HG23 . 34005 1 336 . 1 1 31 31 VAL CA C 13 61.561 . . 1 . . . . . 31 VAL CA . 34005 1 337 . 1 1 31 31 VAL CB C 13 32.989 . . 1 . . . . . 31 VAL CB . 34005 1 338 . 1 1 31 31 VAL CG1 C 13 20.797 . . 1 . . . . . 31 VAL CG1 . 34005 1 339 . 1 1 31 31 VAL CG2 C 13 21.392 . . 1 . . . . . 31 VAL CG2 . 34005 1 340 . 1 1 31 31 VAL N N 15 128.831 . . 1 . . . . . 31 VAL N . 34005 1 341 . 1 1 32 32 THR H H 1 9.383 . . 1 . . . . . 32 THR H . 34005 1 342 . 1 1 32 32 THR HA H 1 4.930 . . 1 . . . . . 32 THR HA . 34005 1 343 . 1 1 32 32 THR HB H 1 4.118 . . 1 . . . . . 32 THR HB . 34005 1 344 . 1 1 32 32 THR HG21 H 1 1.322 . . 1 . . . . . 32 THR HG21 . 34005 1 345 . 1 1 32 32 THR HG22 H 1 1.322 . . 1 . . . . . 32 THR HG22 . 34005 1 346 . 1 1 32 32 THR HG23 H 1 1.322 . . 1 . . . . . 32 THR HG23 . 34005 1 347 . 1 1 32 32 THR CA C 13 58.787 . . 1 . . . . . 32 THR CA . 34005 1 348 . 1 1 32 32 THR CB C 13 70.306 . . 1 . . . . . 32 THR CB . 34005 1 349 . 1 1 32 32 THR CG2 C 13 21.860 . . 1 . . . . . 32 THR CG2 . 34005 1 350 . 1 1 32 32 THR N N 15 125.430 . . 1 . . . . . 32 THR N . 34005 1 351 . 1 1 33 33 PRO HA H 1 4.763 . . 1 . . . . . 33 PRO HA . 34005 1 352 . 1 1 33 33 PRO HB2 H 1 1.926 . . 2 . . . . . 33 PRO HB2 . 34005 1 353 . 1 1 34 34 PRO HA H 1 4.394 . . 1 . . . . . 34 PRO HA . 34005 1 354 . 1 1 34 34 PRO HB2 H 1 1.840 . . 2 . . . . . 34 PRO HB2 . 34005 1 355 . 1 1 34 34 PRO HB3 H 1 1.721 . . 2 . . . . . 34 PRO HB3 . 34005 1 356 . 1 1 34 34 PRO HG2 H 1 1.663 . . 2 . . . . . 34 PRO HG2 . 34005 1 357 . 1 1 34 34 PRO HG3 H 1 1.894 . . 2 . . . . . 34 PRO HG3 . 34005 1 358 . 1 1 34 34 PRO HD2 H 1 3.383 . . 2 . . . . . 34 PRO HD2 . 34005 1 359 . 1 1 34 34 PRO HD3 H 1 3.888 . . 2 . . . . . 34 PRO HD3 . 34005 1 360 . 1 1 34 34 PRO CA C 13 63.105 . . 1 . . . . . 34 PRO CA . 34005 1 361 . 1 1 34 34 PRO CB C 13 32.349 . . 1 . . . . . 34 PRO CB . 34005 1 362 . 1 1 34 34 PRO CG C 13 27.549 . . 1 . . . . . 34 PRO CG . 34005 1 363 . 1 1 34 34 PRO CD C 13 49.849 . . 1 . . . . . 34 PRO CD . 34005 1 364 . 1 1 35 35 GLY H H 1 8.298 . . 1 . . . . . 35 GLY H . 34005 1 365 . 1 1 35 35 GLY HA2 H 1 3.915 . . 2 . . . . . 35 GLY HA2 . 34005 1 366 . 1 1 35 35 GLY HA3 H 1 4.178 . . 2 . . . . . 35 GLY HA3 . 34005 1 367 . 1 1 35 35 GLY CA C 13 44.993 . . 1 . . . . . 35 GLY CA . 34005 1 368 . 1 1 35 35 GLY N N 15 109.067 . . 1 . . . . . 35 GLY N . 34005 1 369 . 1 1 36 36 ASN H H 1 8.895 . . 1 . . . . . 36 ASN H . 34005 1 370 . 1 1 36 36 ASN HA H 1 4.464 . . 1 . . . . . 36 ASN HA . 34005 1 371 . 1 1 36 36 ASN HB2 H 1 2.662 . . 2 . . . . . 36 ASN HB2 . 34005 1 372 . 1 1 36 36 ASN HB3 H 1 2.888 . . 2 . . . . . 36 ASN HB3 . 34005 1 373 . 1 1 36 36 ASN CA C 13 54.352 . . 1 . . . . . 36 ASN CA . 34005 1 374 . 1 1 36 36 ASN CB C 13 38.267 . . 1 . . . . . 36 ASN CB . 34005 1 375 . 1 1 36 36 ASN N N 15 118.981 . . 1 . . . . . 36 ASN N . 34005 1 376 . 1 1 37 37 GLY H H 1 8.374 . . 1 . . . . . 37 GLY H . 34005 1 377 . 1 1 37 37 GLY HA2 H 1 3.613 . . 2 . . . . . 37 GLY HA2 . 34005 1 378 . 1 1 37 37 GLY HA3 H 1 4.216 . . 2 . . . . . 37 GLY HA3 . 34005 1 379 . 1 1 37 37 GLY CA C 13 45.475 . . 1 . . . . . 37 GLY CA . 34005 1 380 . 1 1 37 37 GLY N N 15 107.259 . . 1 . . . . . 37 GLY N . 34005 1 381 . 1 1 38 38 CYS H H 1 7.713 . . 1 . . . . . 38 CYS H . 34005 1 382 . 1 1 38 38 CYS HA H 1 5.315 . . 1 . . . . . 38 CYS HA . 34005 1 383 . 1 1 38 38 CYS HB2 H 1 2.749 . . 2 . . . . . 38 CYS HB2 . 34005 1 384 . 1 1 38 38 CYS HB3 H 1 3.326 . . 2 . . . . . 38 CYS HB3 . 34005 1 385 . 1 1 38 38 CYS CA C 13 52.336 . . 1 . . . . . 38 CYS CA . 34005 1 386 . 1 1 38 38 CYS CB C 13 41.831 . . 1 . . . . . 38 CYS CB . 34005 1 387 . 1 1 38 38 CYS N N 15 119.609 . . 1 . . . . . 38 CYS N . 34005 1 388 . 1 1 39 39 PRO HA H 1 4.700 . . 1 . . . . . 39 PRO HA . 34005 1 389 . 1 1 39 39 PRO HB2 H 1 2.109 . . 2 . . . . . 39 PRO HB2 . 34005 1 390 . 1 1 39 39 PRO HB3 H 1 2.218 . . 2 . . . . . 39 PRO HB3 . 34005 1 391 . 1 1 39 39 PRO HG2 H 1 1.788 . . 2 . . . . . 39 PRO HG2 . 34005 1 392 . 1 1 39 39 PRO HG3 H 1 2.053 . . 2 . . . . . 39 PRO HG3 . 34005 1 393 . 1 1 39 39 PRO HD2 H 1 3.914 . . 2 . . . . . 39 PRO HD2 . 34005 1 394 . 1 1 39 39 PRO HD3 H 1 3.956 . . 2 . . . . . 39 PRO HD3 . 34005 1 395 . 1 1 39 39 PRO CA C 13 63.817 . . 1 . . . . . 39 PRO CA . 34005 1 396 . 1 1 39 39 PRO CB C 13 31.415 . . 1 . . . . . 39 PRO CB . 34005 1 397 . 1 1 39 39 PRO CG C 13 26.816 . . 1 . . . . . 39 PRO CG . 34005 1 398 . 1 1 39 39 PRO CD C 13 51.190 . . 1 . . . . . 39 PRO CD . 34005 1 399 . 1 1 40 40 LYS H H 1 7.410 . . 1 . . . . . 40 LYS H . 34005 1 400 . 1 1 40 40 LYS HA H 1 4.673 . . 1 . . . . . 40 LYS HA . 34005 1 401 . 1 1 40 40 LYS HB2 H 1 1.617 . . 2 . . . . . 40 LYS HB2 . 34005 1 402 . 1 1 40 40 LYS HB3 H 1 1.779 . . 2 . . . . . 40 LYS HB3 . 34005 1 403 . 1 1 40 40 LYS HG2 H 1 1.196 . . 2 . . . . . 40 LYS HG2 . 34005 1 404 . 1 1 40 40 LYS HG3 H 1 1.292 . . 2 . . . . . 40 LYS HG3 . 34005 1 405 . 1 1 40 40 LYS HD2 H 1 1.603 . . 2 . . . . . 40 LYS HD2 . 34005 1 406 . 1 1 40 40 LYS HD3 H 1 1.611 . . 2 . . . . . 40 LYS HD3 . 34005 1 407 . 1 1 40 40 LYS HE2 H 1 2.958 . . 2 . . . . . 40 LYS HE2 . 34005 1 408 . 1 1 40 40 LYS CA C 13 54.480 . . 1 . . . . . 40 LYS CA . 34005 1 409 . 1 1 40 40 LYS CB C 13 35.512 . . 1 . . . . . 40 LYS CB . 34005 1 410 . 1 1 40 40 LYS CG C 13 24.435 . . 1 . . . . . 40 LYS CG . 34005 1 411 . 1 1 40 40 LYS CD C 13 29.426 . . 1 . . . . . 40 LYS CD . 34005 1 412 . 1 1 40 40 LYS CE C 13 42.527 . . 1 . . . . . 40 LYS CE . 34005 1 413 . 1 1 40 40 LYS N N 15 119.155 . . 1 . . . . . 40 LYS N . 34005 1 414 . 1 1 41 41 THR H H 1 8.325 . . 1 . . . . . 41 THR H . 34005 1 415 . 1 1 41 41 THR HA H 1 4.425 . . 1 . . . . . 41 THR HA . 34005 1 416 . 1 1 41 41 THR HB H 1 3.802 . . 1 . . . . . 41 THR HB . 34005 1 417 . 1 1 41 41 THR HG21 H 1 0.966 . . 1 . . . . . 41 THR HG21 . 34005 1 418 . 1 1 41 41 THR HG22 H 1 0.966 . . 1 . . . . . 41 THR HG22 . 34005 1 419 . 1 1 41 41 THR HG23 H 1 0.966 . . 1 . . . . . 41 THR HG23 . 34005 1 420 . 1 1 41 41 THR CA C 13 63.648 . . 1 . . . . . 41 THR CA . 34005 1 421 . 1 1 41 41 THR CB C 13 69.192 . . 1 . . . . . 41 THR CB . 34005 1 422 . 1 1 41 41 THR CG2 C 13 21.510 . . 1 . . . . . 41 THR CG2 . 34005 1 423 . 1 1 41 41 THR N N 15 119.584 . . 1 . . . . . 41 THR N . 34005 1 424 . 1 1 42 42 GLU H H 1 8.511 . . 1 . . . . . 42 GLU H . 34005 1 425 . 1 1 42 42 GLU HA H 1 4.691 . . 1 . . . . . 42 GLU HA . 34005 1 426 . 1 1 42 42 GLU HB2 H 1 1.735 . . 2 . . . . . 42 GLU HB2 . 34005 1 427 . 1 1 42 42 GLU HB3 H 1 1.997 . . 2 . . . . . 42 GLU HB3 . 34005 1 428 . 1 1 42 42 GLU HG2 H 1 1.769 . . 2 . . . . . 42 GLU HG2 . 34005 1 429 . 1 1 42 42 GLU HG3 H 1 2.302 . . 2 . . . . . 42 GLU HG3 . 34005 1 430 . 1 1 42 42 GLU CA C 13 55.806 . . 1 . . . . . 42 GLU CA . 34005 1 431 . 1 1 42 42 GLU CB C 13 33.029 . . 1 . . . . . 42 GLU CB . 34005 1 432 . 1 1 42 42 GLU CG C 13 38.974 . . 1 . . . . . 42 GLU CG . 34005 1 433 . 1 1 42 42 GLU N N 15 124.520 . . 1 . . . . . 42 GLU N . 34005 1 434 . 1 1 43 43 VAL H H 1 9.243 . . 1 . . . . . 43 VAL H . 34005 1 435 . 1 1 43 43 VAL HA H 1 4.684 . . 1 . . . . . 43 VAL HA . 34005 1 436 . 1 1 43 43 VAL HB H 1 1.971 . . 1 . . . . . 43 VAL HB . 34005 1 437 . 1 1 43 43 VAL HG11 H 1 0.657 . . 1 . . . . . 43 VAL HG11 . 34005 1 438 . 1 1 43 43 VAL HG12 H 1 0.657 . . 1 . . . . . 43 VAL HG12 . 34005 1 439 . 1 1 43 43 VAL HG13 H 1 0.657 . . 1 . . . . . 43 VAL HG13 . 34005 1 440 . 1 1 43 43 VAL HG21 H 1 0.791 . . 1 . . . . . 43 VAL HG21 . 34005 1 441 . 1 1 43 43 VAL HG22 H 1 0.791 . . 1 . . . . . 43 VAL HG22 . 34005 1 442 . 1 1 43 43 VAL HG23 H 1 0.791 . . 1 . . . . . 43 VAL HG23 . 34005 1 443 . 1 1 43 43 VAL CA C 13 61.849 . . 1 . . . . . 43 VAL CA . 34005 1 444 . 1 1 43 43 VAL CB C 13 32.658 . . 1 . . . . . 43 VAL CB . 34005 1 445 . 1 1 43 43 VAL CG1 C 13 21.220 . . 1 . . . . . 43 VAL CG1 . 34005 1 446 . 1 1 43 43 VAL CG2 C 13 21.303 . . 1 . . . . . 43 VAL CG2 . 34005 1 447 . 1 1 43 43 VAL N N 15 124.960 . . 1 . . . . . 43 VAL N . 34005 1 448 . 1 1 44 44 VAL H H 1 8.666 . . 1 . . . . . 44 VAL H . 34005 1 449 . 1 1 44 44 VAL HA H 1 4.610 . . 1 . . . . . 44 VAL HA . 34005 1 450 . 1 1 44 44 VAL HB H 1 1.710 . . 1 . . . . . 44 VAL HB . 34005 1 451 . 1 1 44 44 VAL HG11 H 1 0.108 . . 1 . . . . . 44 VAL HG11 . 34005 1 452 . 1 1 44 44 VAL HG12 H 1 0.108 . . 1 . . . . . 44 VAL HG12 . 34005 1 453 . 1 1 44 44 VAL HG13 H 1 0.108 . . 1 . . . . . 44 VAL HG13 . 34005 1 454 . 1 1 44 44 VAL HG21 H 1 0.720 . . 1 . . . . . 44 VAL HG21 . 34005 1 455 . 1 1 44 44 VAL HG22 H 1 0.720 . . 1 . . . . . 44 VAL HG22 . 34005 1 456 . 1 1 44 44 VAL HG23 H 1 0.720 . . 1 . . . . . 44 VAL HG23 . 34005 1 457 . 1 1 44 44 VAL CA C 13 60.545 . . 1 . . . . . 44 VAL CA . 34005 1 458 . 1 1 44 44 VAL CB C 13 34.525 . . 1 . . . . . 44 VAL CB . 34005 1 459 . 1 1 44 44 VAL CG1 C 13 21.724 . . 1 . . . . . 44 VAL CG1 . 34005 1 460 . 1 1 44 44 VAL CG2 C 13 21.269 . . 1 . . . . . 44 VAL CG2 . 34005 1 461 . 1 1 44 44 VAL N N 15 126.067 . . 1 . . . . . 44 VAL N . 34005 1 462 . 1 1 45 45 ILE H H 1 9.087 . . 1 . . . . . 45 ILE H . 34005 1 463 . 1 1 45 45 ILE HA H 1 4.826 . . 1 . . . . . 45 ILE HA . 34005 1 464 . 1 1 45 45 ILE HB H 1 1.745 . . 1 . . . . . 45 ILE HB . 34005 1 465 . 1 1 45 45 ILE HG12 H 1 1.604 . . 2 . . . . . 45 ILE HG12 . 34005 1 466 . 1 1 45 45 ILE HG13 H 1 1.599 . . 2 . . . . . 45 ILE HG13 . 34005 1 467 . 1 1 45 45 ILE HG21 H 1 0.818 . . 1 . . . . . 45 ILE HG21 . 34005 1 468 . 1 1 45 45 ILE HG22 H 1 0.818 . . 1 . . . . . 45 ILE HG22 . 34005 1 469 . 1 1 45 45 ILE HG23 H 1 0.818 . . 1 . . . . . 45 ILE HG23 . 34005 1 470 . 1 1 45 45 ILE HD11 H 1 0.834 . . 1 . . . . . 45 ILE HD11 . 34005 1 471 . 1 1 45 45 ILE HD12 H 1 0.834 . . 1 . . . . . 45 ILE HD12 . 34005 1 472 . 1 1 45 45 ILE HD13 H 1 0.834 . . 1 . . . . . 45 ILE HD13 . 34005 1 473 . 1 1 45 45 ILE CA C 13 59.908 . . 1 . . . . . 45 ILE CA . 34005 1 474 . 1 1 45 45 ILE CB C 13 41.077 . . 1 . . . . . 45 ILE CB . 34005 1 475 . 1 1 45 45 ILE CG1 C 13 28.459 . . 1 . . . . . 45 ILE CG1 . 34005 1 476 . 1 1 45 45 ILE CG2 C 13 18.463 . . 1 . . . . . 45 ILE CG2 . 34005 1 477 . 1 1 45 45 ILE CD1 C 13 14.487 . . 1 . . . . . 45 ILE CD1 . 34005 1 478 . 1 1 45 45 ILE N N 15 124.729 . . 1 . . . . . 45 ILE N . 34005 1 479 . 1 1 46 46 TRP H H 1 9.022 . . 1 . . . . . 46 TRP H . 34005 1 480 . 1 1 46 46 TRP HA H 1 5.277 . . 1 . . . . . 46 TRP HA . 34005 1 481 . 1 1 46 46 TRP HB2 H 1 3.110 . . 2 . . . . . 46 TRP HB2 . 34005 1 482 . 1 1 46 46 TRP HB3 H 1 3.303 . . 2 . . . . . 46 TRP HB3 . 34005 1 483 . 1 1 46 46 TRP HD1 H 1 6.985 . . 1 . . . . . 46 TRP HD1 . 34005 1 484 . 1 1 46 46 TRP HE1 H 1 9.931 . . 1 . . . . . 46 TRP HE1 . 34005 1 485 . 1 1 46 46 TRP HE3 H 1 7.423 . . 1 . . . . . 46 TRP HE3 . 34005 1 486 . 1 1 46 46 TRP HZ2 H 1 7.299 . . 1 . . . . . 46 TRP HZ2 . 34005 1 487 . 1 1 46 46 TRP HZ3 H 1 6.859 . . 1 . . . . . 46 TRP HZ3 . 34005 1 488 . 1 1 46 46 TRP HH2 H 1 6.997 . . 1 . . . . . 46 TRP HH2 . 34005 1 489 . 1 1 46 46 TRP CA C 13 56.886 . . 1 . . . . . 46 TRP CA . 34005 1 490 . 1 1 46 46 TRP CB C 13 31.167 . . 1 . . . . . 46 TRP CB . 34005 1 491 . 1 1 46 46 TRP CD1 C 13 126.513 . . 1 . . . . . 46 TRP CD1 . 34005 1 492 . 1 1 46 46 TRP CE3 C 13 121.906 . . 1 . . . . . 46 TRP CE3 . 34005 1 493 . 1 1 46 46 TRP CZ2 C 13 114.190 . . 1 . . . . . 46 TRP CZ2 . 34005 1 494 . 1 1 46 46 TRP CZ3 C 13 121.402 . . 1 . . . . . 46 TRP CZ3 . 34005 1 495 . 1 1 46 46 TRP CH2 C 13 124.028 . . 1 . . . . . 46 TRP CH2 . 34005 1 496 . 1 1 46 46 TRP N N 15 127.530 . . 1 . . . . . 46 TRP N . 34005 1 497 . 1 1 46 46 TRP NE1 N 15 128.701 . . 1 . . . . . 46 TRP NE1 . 34005 1 498 . 1 1 47 47 THR H H 1 9.266 . . 1 . . . . . 47 THR H . 34005 1 499 . 1 1 47 47 THR HA H 1 5.234 . . 1 . . . . . 47 THR HA . 34005 1 500 . 1 1 47 47 THR HB H 1 4.776 . . 1 . . . . . 47 THR HB . 34005 1 501 . 1 1 47 47 THR HG1 H 1 5.836 . . 1 . . . . . 47 THR HG1 . 34005 1 502 . 1 1 47 47 THR HG21 H 1 1.094 . . 1 . . . . . 47 THR HG21 . 34005 1 503 . 1 1 47 47 THR HG22 H 1 1.094 . . 1 . . . . . 47 THR HG22 . 34005 1 504 . 1 1 47 47 THR HG23 H 1 1.094 . . 1 . . . . . 47 THR HG23 . 34005 1 505 . 1 1 47 47 THR CA C 13 59.995 . . 1 . . . . . 47 THR CA . 34005 1 506 . 1 1 47 47 THR CB C 13 72.111 . . 1 . . . . . 47 THR CB . 34005 1 507 . 1 1 47 47 THR CG2 C 13 21.581 . . 1 . . . . . 47 THR CG2 . 34005 1 508 . 1 1 47 47 THR N N 15 114.664 . . 1 . . . . . 47 THR N . 34005 1 509 . 1 1 48 48 LYS H H 1 8.983 . . 1 . . . . . 48 LYS H . 34005 1 510 . 1 1 48 48 LYS HA H 1 4.155 . . 1 . . . . . 48 LYS HA . 34005 1 511 . 1 1 48 48 LYS HB2 H 1 1.701 . . 2 . . . . . 48 LYS HB2 . 34005 1 512 . 1 1 48 48 LYS HB3 H 1 2.025 . . 2 . . . . . 48 LYS HB3 . 34005 1 513 . 1 1 48 48 LYS HG2 H 1 1.237 . . 2 . . . . . 48 LYS HG2 . 34005 1 514 . 1 1 48 48 LYS HG3 H 1 1.385 . . 2 . . . . . 48 LYS HG3 . 34005 1 515 . 1 1 48 48 LYS HD2 H 1 1.670 . . 2 . . . . . 48 LYS HD2 . 34005 1 516 . 1 1 48 48 LYS HD3 H 1 1.674 . . 2 . . . . . 48 LYS HD3 . 34005 1 517 . 1 1 48 48 LYS HE2 H 1 2.901 . . 2 . . . . . 48 LYS HE2 . 34005 1 518 . 1 1 48 48 LYS HE3 H 1 2.900 . . 2 . . . . . 48 LYS HE3 . 34005 1 519 . 1 1 48 48 LYS CA C 13 58.936 . . 1 . . . . . 48 LYS CA . 34005 1 520 . 1 1 48 48 LYS CB C 13 32.581 . . 1 . . . . . 48 LYS CB . 34005 1 521 . 1 1 48 48 LYS CG C 13 26.544 . . 1 . . . . . 48 LYS CG . 34005 1 522 . 1 1 48 48 LYS CD C 13 29.453 . . 1 . . . . . 48 LYS CD . 34005 1 523 . 1 1 48 48 LYS CE C 13 42.498 . . 1 . . . . . 48 LYS CE . 34005 1 524 . 1 1 48 48 LYS N N 15 121.475 . . 1 . . . . . 48 LYS N . 34005 1 525 . 1 1 49 49 MET H H 1 7.617 . . 1 . . . . . 49 MET H . 34005 1 526 . 1 1 49 49 MET HA H 1 4.649 . . 1 . . . . . 49 MET HA . 34005 1 527 . 1 1 49 49 MET HB2 H 1 1.789 . . 2 . . . . . 49 MET HB2 . 34005 1 528 . 1 1 49 49 MET HB3 H 1 2.351 . . 2 . . . . . 49 MET HB3 . 34005 1 529 . 1 1 49 49 MET HG2 H 1 2.537 . . 2 . . . . . 49 MET HG2 . 34005 1 530 . 1 1 49 49 MET HG3 H 1 2.645 . . 2 . . . . . 49 MET HG3 . 34005 1 531 . 1 1 49 49 MET HE1 H 1 2.061 . . 1 . . . . . 49 MET HE1 . 34005 1 532 . 1 1 49 49 MET HE2 H 1 2.061 . . 1 . . . . . 49 MET HE2 . 34005 1 533 . 1 1 49 49 MET HE3 H 1 2.061 . . 1 . . . . . 49 MET HE3 . 34005 1 534 . 1 1 49 49 MET CA C 13 55.064 . . 1 . . . . . 49 MET CA . 34005 1 535 . 1 1 49 49 MET CB C 13 30.922 . . 1 . . . . . 49 MET CB . 34005 1 536 . 1 1 49 49 MET CG C 13 33.284 . . 1 . . . . . 49 MET CG . 34005 1 537 . 1 1 49 49 MET CE C 13 17.378 . . 1 . . . . . 49 MET CE . 34005 1 538 . 1 1 49 49 MET N N 15 116.227 . . 1 . . . . . 49 MET N . 34005 1 539 . 1 1 50 50 LYS H H 1 8.073 . . 1 . . . . . 50 LYS H . 34005 1 540 . 1 1 50 50 LYS HA H 1 3.851 . . 1 . . . . . 50 LYS HA . 34005 1 541 . 1 1 50 50 LYS HB2 H 1 2.014 . . 2 . . . . . 50 LYS HB2 . 34005 1 542 . 1 1 50 50 LYS HB3 H 1 2.181 . . 2 . . . . . 50 LYS HB3 . 34005 1 543 . 1 1 50 50 LYS HG2 H 1 1.327 . . 2 . . . . . 50 LYS HG2 . 34005 1 544 . 1 1 50 50 LYS HG3 H 1 1.328 . . 2 . . . . . 50 LYS HG3 . 34005 1 545 . 1 1 50 50 LYS HD2 H 1 1.657 . . 2 . . . . . 50 LYS HD2 . 34005 1 546 . 1 1 50 50 LYS HD3 H 1 1.651 . . 2 . . . . . 50 LYS HD3 . 34005 1 547 . 1 1 50 50 LYS HE2 H 1 2.974 . . 2 . . . . . 50 LYS HE2 . 34005 1 548 . 1 1 50 50 LYS HE3 H 1 2.971 . . 2 . . . . . 50 LYS HE3 . 34005 1 549 . 1 1 50 50 LYS CA C 13 57.628 . . 1 . . . . . 50 LYS CA . 34005 1 550 . 1 1 50 50 LYS CB C 13 28.426 . . 1 . . . . . 50 LYS CB . 34005 1 551 . 1 1 50 50 LYS CG C 13 25.265 . . 1 . . . . . 50 LYS CG . 34005 1 552 . 1 1 50 50 LYS CD C 13 29.165 . . 1 . . . . . 50 LYS CD . 34005 1 553 . 1 1 50 50 LYS CE C 13 42.449 . . 1 . . . . . 50 LYS CE . 34005 1 554 . 1 1 50 50 LYS N N 15 113.319 . . 1 . . . . . 50 LYS N . 34005 1 555 . 1 1 51 51 LYS H H 1 7.162 . . 1 . . . . . 51 LYS H . 34005 1 556 . 1 1 51 51 LYS HA H 1 4.533 . . 1 . . . . . 51 LYS HA . 34005 1 557 . 1 1 51 51 LYS HB2 H 1 1.643 . . 2 . . . . . 51 LYS HB2 . 34005 1 558 . 1 1 51 51 LYS HB3 H 1 1.632 . . 2 . . . . . 51 LYS HB3 . 34005 1 559 . 1 1 51 51 LYS HG2 H 1 1.168 . . 2 . . . . . 51 LYS HG2 . 34005 1 560 . 1 1 51 51 LYS HG3 H 1 1.326 . . 2 . . . . . 51 LYS HG3 . 34005 1 561 . 1 1 51 51 LYS HD2 H 1 1.587 . . 2 . . . . . 51 LYS HD2 . 34005 1 562 . 1 1 51 51 LYS HD3 H 1 1.591 . . 2 . . . . . 51 LYS HD3 . 34005 1 563 . 1 1 51 51 LYS HE2 H 1 2.899 . . 2 . . . . . 51 LYS HE2 . 34005 1 564 . 1 1 51 51 LYS HE3 H 1 2.898 . . 2 . . . . . 51 LYS HE3 . 34005 1 565 . 1 1 51 51 LYS CA C 13 54.628 . . 1 . . . . . 51 LYS CA . 34005 1 566 . 1 1 51 51 LYS CB C 13 33.767 . . 1 . . . . . 51 LYS CB . 34005 1 567 . 1 1 51 51 LYS CG C 13 25.031 . . 1 . . . . . 51 LYS CG . 34005 1 568 . 1 1 51 51 LYS CD C 13 28.681 . . 1 . . . . . 51 LYS CD . 34005 1 569 . 1 1 51 51 LYS CE C 13 42.380 . . 1 . . . . . 51 LYS CE . 34005 1 570 . 1 1 51 51 LYS N N 15 117.452 . . 1 . . . . . 51 LYS N . 34005 1 571 . 1 1 52 52 VAL H H 1 8.094 . . 1 . . . . . 52 VAL H . 34005 1 572 . 1 1 52 52 VAL HA H 1 4.521 . . 1 . . . . . 52 VAL HA . 34005 1 573 . 1 1 52 52 VAL HB H 1 1.448 . . 1 . . . . . 52 VAL HB . 34005 1 574 . 1 1 52 52 VAL HG11 H 1 0.146 . . 1 . . . . . 52 VAL HG11 . 34005 1 575 . 1 1 52 52 VAL HG12 H 1 0.146 . . 1 . . . . . 52 VAL HG12 . 34005 1 576 . 1 1 52 52 VAL HG13 H 1 0.146 . . 1 . . . . . 52 VAL HG13 . 34005 1 577 . 1 1 52 52 VAL HG21 H 1 0.262 . . 1 . . . . . 52 VAL HG21 . 34005 1 578 . 1 1 52 52 VAL HG22 H 1 0.262 . . 1 . . . . . 52 VAL HG22 . 34005 1 579 . 1 1 52 52 VAL HG23 H 1 0.262 . . 1 . . . . . 52 VAL HG23 . 34005 1 580 . 1 1 52 52 VAL CA C 13 61.297 . . 1 . . . . . 52 VAL CA . 34005 1 581 . 1 1 52 52 VAL CB C 13 32.820 . . 1 . . . . . 52 VAL CB . 34005 1 582 . 1 1 52 52 VAL CG1 C 13 20.659 . . 1 . . . . . 52 VAL CG1 . 34005 1 583 . 1 1 52 52 VAL CG2 C 13 20.561 . . 1 . . . . . 52 VAL CG2 . 34005 1 584 . 1 1 52 52 VAL N N 15 122.544 . . 1 . . . . . 52 VAL N . 34005 1 585 . 1 1 53 53 ILE H H 1 9.110 . . 1 . . . . . 53 ILE H . 34005 1 586 . 1 1 53 53 ILE HA H 1 4.305 . . 1 . . . . . 53 ILE HA . 34005 1 587 . 1 1 53 53 ILE HB H 1 1.593 . . 1 . . . . . 53 ILE HB . 34005 1 588 . 1 1 53 53 ILE HG12 H 1 0.895 . . 2 . . . . . 53 ILE HG12 . 34005 1 589 . 1 1 53 53 ILE HG13 H 1 1.279 . . 2 . . . . . 53 ILE HG13 . 34005 1 590 . 1 1 53 53 ILE HG21 H 1 0.748 . . 1 . . . . . 53 ILE HG21 . 34005 1 591 . 1 1 53 53 ILE HG22 H 1 0.748 . . 1 . . . . . 53 ILE HG22 . 34005 1 592 . 1 1 53 53 ILE HG23 H 1 0.748 . . 1 . . . . . 53 ILE HG23 . 34005 1 593 . 1 1 53 53 ILE HD11 H 1 0.635 . . 1 . . . . . 53 ILE HD11 . 34005 1 594 . 1 1 53 53 ILE HD12 H 1 0.635 . . 1 . . . . . 53 ILE HD12 . 34005 1 595 . 1 1 53 53 ILE HD13 H 1 0.635 . . 1 . . . . . 53 ILE HD13 . 34005 1 596 . 1 1 53 53 ILE CA C 13 59.977 . . 1 . . . . . 53 ILE CA . 34005 1 597 . 1 1 53 53 ILE CB C 13 41.975 . . 1 . . . . . 53 ILE CB . 34005 1 598 . 1 1 53 53 ILE CG1 C 13 26.716 . . 1 . . . . . 53 ILE CG1 . 34005 1 599 . 1 1 53 53 ILE CG2 C 13 17.785 . . 1 . . . . . 53 ILE CG2 . 34005 1 600 . 1 1 53 53 ILE CD1 C 13 13.910 . . 1 . . . . . 53 ILE CD1 . 34005 1 601 . 1 1 53 53 ILE N N 15 126.275 . . 1 . . . . . 53 ILE N . 34005 1 602 . 1 1 54 54 CYS H H 1 8.621 . . 1 . . . . . 54 CYS H . 34005 1 603 . 1 1 54 54 CYS HA H 1 5.469 . . 1 . . . . . 54 CYS HA . 34005 1 604 . 1 1 54 54 CYS HB2 H 1 3.067 . . 2 . . . . . 54 CYS HB2 . 34005 1 605 . 1 1 54 54 CYS HB3 H 1 3.783 . . 2 . . . . . 54 CYS HB3 . 34005 1 606 . 1 1 54 54 CYS CA C 13 57.120 . . 1 . . . . . 54 CYS CA . 34005 1 607 . 1 1 54 54 CYS CB C 13 47.633 . . 1 . . . . . 54 CYS CB . 34005 1 608 . 1 1 54 54 CYS N N 15 123.413 . . 1 . . . . . 54 CYS N . 34005 1 609 . 1 1 55 55 VAL H H 1 8.262 . . 1 . . . . . 55 VAL H . 34005 1 610 . 1 1 55 55 VAL HA H 1 4.845 . . 1 . . . . . 55 VAL HA . 34005 1 611 . 1 1 55 55 VAL HB H 1 1.882 . . 1 . . . . . 55 VAL HB . 34005 1 612 . 1 1 55 55 VAL HG11 H 1 0.924 . . 1 . . . . . 55 VAL HG11 . 34005 1 613 . 1 1 55 55 VAL HG12 H 1 0.924 . . 1 . . . . . 55 VAL HG12 . 34005 1 614 . 1 1 55 55 VAL HG13 H 1 0.924 . . 1 . . . . . 55 VAL HG13 . 34005 1 615 . 1 1 55 55 VAL HG21 H 1 0.770 . . 1 . . . . . 55 VAL HG21 . 34005 1 616 . 1 1 55 55 VAL HG22 H 1 0.770 . . 1 . . . . . 55 VAL HG22 . 34005 1 617 . 1 1 55 55 VAL HG23 H 1 0.770 . . 1 . . . . . 55 VAL HG23 . 34005 1 618 . 1 1 55 55 VAL CA C 13 59.807 . . 1 . . . . . 55 VAL CA . 34005 1 619 . 1 1 55 55 VAL CB C 13 35.000 . . 1 . . . . . 55 VAL CB . 34005 1 620 . 1 1 55 55 VAL CG1 C 13 22.473 . . 1 . . . . . 55 VAL CG1 . 34005 1 621 . 1 1 55 55 VAL CG2 C 13 21.062 . . 1 . . . . . 55 VAL CG2 . 34005 1 622 . 1 1 55 55 VAL N N 15 117.865 . . 1 . . . . . 55 VAL N . 34005 1 623 . 1 1 56 56 ASN H H 1 8.411 . . 1 . . . . . 56 ASN H . 34005 1 624 . 1 1 56 56 ASN HA H 1 4.472 . . 1 . . . . . 56 ASN HA . 34005 1 625 . 1 1 56 56 ASN HB2 H 1 2.695 . . 2 . . . . . 56 ASN HB2 . 34005 1 626 . 1 1 56 56 ASN HB3 H 1 2.870 . . 2 . . . . . 56 ASN HB3 . 34005 1 627 . 1 1 56 56 ASN CA C 13 50.964 . . 1 . . . . . 56 ASN CA . 34005 1 628 . 1 1 56 56 ASN CB C 13 39.456 . . 1 . . . . . 56 ASN CB . 34005 1 629 . 1 1 56 56 ASN N N 15 124.058 . . 1 . . . . . 56 ASN N . 34005 1 630 . 1 1 57 57 PRO HA H 1 3.946 . . 1 . . . . . 57 PRO HA . 34005 1 631 . 1 1 57 57 PRO HB2 H 1 1.807 . . 2 . . . . . 57 PRO HB2 . 34005 1 632 . 1 1 57 57 PRO HB3 H 1 2.005 . . 2 . . . . . 57 PRO HB3 . 34005 1 633 . 1 1 57 57 PRO HG2 H 1 1.875 . . 2 . . . . . 57 PRO HG2 . 34005 1 634 . 1 1 57 57 PRO HG3 H 1 1.867 . . 2 . . . . . 57 PRO HG3 . 34005 1 635 . 1 1 57 57 PRO HD2 H 1 3.740 . . 2 . . . . . 57 PRO HD2 . 34005 1 636 . 1 1 57 57 PRO HD3 H 1 4.171 . . 2 . . . . . 57 PRO HD3 . 34005 1 637 . 1 1 57 57 PRO CA C 13 64.105 . . 1 . . . . . 57 PRO CA . 34005 1 638 . 1 1 57 57 PRO CB C 13 32.395 . . 1 . . . . . 57 PRO CB . 34005 1 639 . 1 1 57 57 PRO CG C 13 27.664 . . 1 . . . . . 57 PRO CG . 34005 1 640 . 1 1 57 57 PRO CD C 13 51.298 . . 1 . . . . . 57 PRO CD . 34005 1 641 . 1 1 58 58 ARG H H 1 7.745 . . 1 . . . . . 58 ARG H . 34005 1 642 . 1 1 58 58 ARG HA H 1 4.112 . . 1 . . . . . 58 ARG HA . 34005 1 643 . 1 1 58 58 ARG HB2 H 1 1.532 . . 2 . . . . . 58 ARG HB2 . 34005 1 644 . 1 1 58 58 ARG HB3 H 1 1.951 . . 2 . . . . . 58 ARG HB3 . 34005 1 645 . 1 1 58 58 ARG HG2 H 1 1.510 . . 2 . . . . . 58 ARG HG2 . 34005 1 646 . 1 1 58 58 ARG HG3 H 1 1.520 . . 2 . . . . . 58 ARG HG3 . 34005 1 647 . 1 1 58 58 ARG HD2 H 1 3.130 . . 2 . . . . . 58 ARG HD2 . 34005 1 648 . 1 1 58 58 ARG HD3 H 1 3.121 . . 2 . . . . . 58 ARG HD3 . 34005 1 649 . 1 1 58 58 ARG CA C 13 54.892 . . 1 . . . . . 58 ARG CA . 34005 1 650 . 1 1 58 58 ARG CB C 13 29.911 . . 1 . . . . . 58 ARG CB . 34005 1 651 . 1 1 58 58 ARG CG C 13 27.577 . . 1 . . . . . 58 ARG CG . 34005 1 652 . 1 1 58 58 ARG CD C 13 43.249 . . 1 . . . . . 58 ARG CD . 34005 1 653 . 1 1 58 58 ARG N N 15 113.096 . . 1 . . . . . 58 ARG N . 34005 1 654 . 1 1 59 59 ALA H H 1 7.550 . . 1 . . . . . 59 ALA H . 34005 1 655 . 1 1 59 59 ALA HA H 1 4.084 . . 1 . . . . . 59 ALA HA . 34005 1 656 . 1 1 59 59 ALA HB1 H 1 0.974 . . 1 . . . . . 59 ALA HB1 . 34005 1 657 . 1 1 59 59 ALA HB2 H 1 0.974 . . 1 . . . . . 59 ALA HB2 . 34005 1 658 . 1 1 59 59 ALA HB3 H 1 0.974 . . 1 . . . . . 59 ALA HB3 . 34005 1 659 . 1 1 59 59 ALA CA C 13 52.868 . . 1 . . . . . 59 ALA CA . 34005 1 660 . 1 1 59 59 ALA CB C 13 18.017 . . 1 . . . . . 59 ALA CB . 34005 1 661 . 1 1 59 59 ALA N N 15 124.131 . . 1 . . . . . 59 ALA N . 34005 1 662 . 1 1 60 60 LYS H H 1 8.999 . . 1 . . . . . 60 LYS H . 34005 1 663 . 1 1 60 60 LYS HA H 1 3.877 . . 1 . . . . . 60 LYS HA . 34005 1 664 . 1 1 60 60 LYS HB2 H 1 1.877 . . 2 . . . . . 60 LYS HB2 . 34005 1 665 . 1 1 60 60 LYS HB3 H 1 1.955 . . 2 . . . . . 60 LYS HB3 . 34005 1 666 . 1 1 60 60 LYS HG2 H 1 1.467 . . 2 . . . . . 60 LYS HG2 . 34005 1 667 . 1 1 60 60 LYS HG3 H 1 1.573 . . 2 . . . . . 60 LYS HG3 . 34005 1 668 . 1 1 60 60 LYS HD2 H 1 1.694 . . 2 . . . . . 60 LYS HD2 . 34005 1 669 . 1 1 60 60 LYS HD3 H 1 1.699 . . 2 . . . . . 60 LYS HD3 . 34005 1 670 . 1 1 60 60 LYS HE2 H 1 2.992 . . 2 . . . . . 60 LYS HE2 . 34005 1 671 . 1 1 60 60 LYS HE3 H 1 2.992 . . 2 . . . . . 60 LYS HE3 . 34005 1 672 . 1 1 60 60 LYS CA C 13 59.898 . . 1 . . . . . 60 LYS CA . 34005 1 673 . 1 1 60 60 LYS CB C 13 31.823 . . 1 . . . . . 60 LYS CB . 34005 1 674 . 1 1 60 60 LYS CG C 13 25.381 . . 1 . . . . . 60 LYS CG . 34005 1 675 . 1 1 60 60 LYS CD C 13 29.138 . . 1 . . . . . 60 LYS CD . 34005 1 676 . 1 1 60 60 LYS CE C 13 42.141 . . 1 . . . . . 60 LYS CE . 34005 1 677 . 1 1 60 60 LYS N N 15 126.126 . . 1 . . . . . 60 LYS N . 34005 1 678 . 1 1 61 61 TRP H H 1 7.761 . . 1 . . . . . 61 TRP H . 34005 1 679 . 1 1 61 61 TRP HA H 1 4.368 . . 1 . . . . . 61 TRP HA . 34005 1 680 . 1 1 61 61 TRP HB2 H 1 3.234 . . 2 . . . . . 61 TRP HB2 . 34005 1 681 . 1 1 61 61 TRP HB3 H 1 3.518 . . 2 . . . . . 61 TRP HB3 . 34005 1 682 . 1 1 61 61 TRP HD1 H 1 7.610 . . 1 . . . . . 61 TRP HD1 . 34005 1 683 . 1 1 61 61 TRP HE1 H 1 10.026 . . 1 . . . . . 61 TRP HE1 . 34005 1 684 . 1 1 61 61 TRP HE3 H 1 7.309 . . 1 . . . . . 61 TRP HE3 . 34005 1 685 . 1 1 61 61 TRP HZ2 H 1 7.358 . . 1 . . . . . 61 TRP HZ2 . 34005 1 686 . 1 1 61 61 TRP HZ3 H 1 6.873 . . 1 . . . . . 61 TRP HZ3 . 34005 1 687 . 1 1 61 61 TRP HH2 H 1 6.860 . . 1 . . . . . 61 TRP HH2 . 34005 1 688 . 1 1 61 61 TRP CA C 13 57.431 . . 1 . . . . . 61 TRP CA . 34005 1 689 . 1 1 61 61 TRP CB C 13 27.594 . . 1 . . . . . 61 TRP CB . 34005 1 690 . 1 1 61 61 TRP CD1 C 13 128.542 . . 1 . . . . . 61 TRP CD1 . 34005 1 691 . 1 1 61 61 TRP CE3 C 13 120.545 . . 1 . . . . . 61 TRP CE3 . 34005 1 692 . 1 1 61 61 TRP CZ2 C 13 115.361 . . 1 . . . . . 61 TRP CZ2 . 34005 1 693 . 1 1 61 61 TRP CZ3 C 13 122.786 . . 1 . . . . . 61 TRP CZ3 . 34005 1 694 . 1 1 61 61 TRP CH2 C 13 123.923 . . 1 . . . . . 61 TRP CH2 . 34005 1 695 . 1 1 61 61 TRP N N 15 115.958 . . 1 . . . . . 61 TRP N . 34005 1 696 . 1 1 61 61 TRP NE1 N 15 130.887 . . 1 . . . . . 61 TRP NE1 . 34005 1 697 . 1 1 62 62 LEU H H 1 5.882 . . 1 . . . . . 62 LEU H . 34005 1 698 . 1 1 62 62 LEU HA H 1 3.528 . . 1 . . . . . 62 LEU HA . 34005 1 699 . 1 1 62 62 LEU HB2 H 1 0.037 . . 2 . . . . . 62 LEU HB2 . 34005 1 700 . 1 1 62 62 LEU HB3 H 1 1.239 . . 2 . . . . . 62 LEU HB3 . 34005 1 701 . 1 1 62 62 LEU HG H 1 1.060 . . 1 . . . . . 62 LEU HG . 34005 1 702 . 1 1 62 62 LEU HD11 H 1 0.533 . . 1 . . . . . 62 LEU HD11 . 34005 1 703 . 1 1 62 62 LEU HD12 H 1 0.533 . . 1 . . . . . 62 LEU HD12 . 34005 1 704 . 1 1 62 62 LEU HD13 H 1 0.533 . . 1 . . . . . 62 LEU HD13 . 34005 1 705 . 1 1 62 62 LEU HD21 H 1 0.525 . . 1 . . . . . 62 LEU HD21 . 34005 1 706 . 1 1 62 62 LEU HD22 H 1 0.525 . . 1 . . . . . 62 LEU HD22 . 34005 1 707 . 1 1 62 62 LEU HD23 H 1 0.525 . . 1 . . . . . 62 LEU HD23 . 34005 1 708 . 1 1 62 62 LEU CA C 13 56.399 . . 1 . . . . . 62 LEU CA . 34005 1 709 . 1 1 62 62 LEU CB C 13 41.658 . . 1 . . . . . 62 LEU CB . 34005 1 710 . 1 1 62 62 LEU CG C 13 26.395 . . 1 . . . . . 62 LEU CG . 34005 1 711 . 1 1 62 62 LEU CD1 C 13 23.448 . . 1 . . . . . 62 LEU CD1 . 34005 1 712 . 1 1 62 62 LEU CD2 C 13 25.315 . . 1 . . . . . 62 LEU CD2 . 34005 1 713 . 1 1 62 62 LEU N N 15 123.199 . . 1 . . . . . 62 LEU N . 34005 1 714 . 1 1 63 63 GLN H H 1 7.528 . . 1 . . . . . 63 GLN H . 34005 1 715 . 1 1 63 63 GLN HA H 1 3.694 . . 1 . . . . . 63 GLN HA . 34005 1 716 . 1 1 63 63 GLN HB2 H 1 2.007 . . 2 . . . . . 63 GLN HB2 . 34005 1 717 . 1 1 63 63 GLN HB3 H 1 2.081 . . 2 . . . . . 63 GLN HB3 . 34005 1 718 . 1 1 63 63 GLN HG2 H 1 2.317 . . 2 . . . . . 63 GLN HG2 . 34005 1 719 . 1 1 63 63 GLN HG3 H 1 2.371 . . 2 . . . . . 63 GLN HG3 . 34005 1 720 . 1 1 63 63 GLN CA C 13 59.198 . . 1 . . . . . 63 GLN CA . 34005 1 721 . 1 1 63 63 GLN CB C 13 27.897 . . 1 . . . . . 63 GLN CB . 34005 1 722 . 1 1 63 63 GLN CG C 13 33.704 . . 1 . . . . . 63 GLN CG . 34005 1 723 . 1 1 63 63 GLN N N 15 117.164 . . 1 . . . . . 63 GLN N . 34005 1 724 . 1 1 64 64 ARG H H 1 7.847 . . 1 . . . . . 64 ARG H . 34005 1 725 . 1 1 64 64 ARG HA H 1 4.008 . . 1 . . . . . 64 ARG HA . 34005 1 726 . 1 1 64 64 ARG HB2 H 1 1.889 . . 2 . . . . . 64 ARG HB2 . 34005 1 727 . 1 1 64 64 ARG HB3 H 1 1.891 . . 2 . . . . . 64 ARG HB3 . 34005 1 728 . 1 1 64 64 ARG HG2 H 1 1.627 . . 2 . . . . . 64 ARG HG2 . 34005 1 729 . 1 1 64 64 ARG HG3 H 1 1.715 . . 2 . . . . . 64 ARG HG3 . 34005 1 730 . 1 1 64 64 ARG HD2 H 1 3.229 . . 2 . . . . . 64 ARG HD2 . 34005 1 731 . 1 1 64 64 ARG HD3 H 1 3.228 . . 2 . . . . . 64 ARG HD3 . 34005 1 732 . 1 1 64 64 ARG CA C 13 59.155 . . 1 . . . . . 64 ARG CA . 34005 1 733 . 1 1 64 64 ARG CB C 13 30.108 . . 1 . . . . . 64 ARG CB . 34005 1 734 . 1 1 64 64 ARG CG C 13 27.615 . . 1 . . . . . 64 ARG CG . 34005 1 735 . 1 1 64 64 ARG CD C 13 43.578 . . 1 . . . . . 64 ARG CD . 34005 1 736 . 1 1 64 64 ARG N N 15 116.909 . . 1 . . . . . 64 ARG N . 34005 1 737 . 1 1 65 65 LEU H H 1 7.475 . . 1 . . . . . 65 LEU H . 34005 1 738 . 1 1 65 65 LEU HA H 1 4.215 . . 1 . . . . . 65 LEU HA . 34005 1 739 . 1 1 65 65 LEU HB2 H 1 1.744 . . 2 . . . . . 65 LEU HB2 . 34005 1 740 . 1 1 65 65 LEU HB3 H 1 1.883 . . 2 . . . . . 65 LEU HB3 . 34005 1 741 . 1 1 65 65 LEU HG H 1 1.755 . . 1 . . . . . 65 LEU HG . 34005 1 742 . 1 1 65 65 LEU HD11 H 1 1.036 . . 1 . . . . . 65 LEU HD11 . 34005 1 743 . 1 1 65 65 LEU HD12 H 1 1.036 . . 1 . . . . . 65 LEU HD12 . 34005 1 744 . 1 1 65 65 LEU HD13 H 1 1.036 . . 1 . . . . . 65 LEU HD13 . 34005 1 745 . 1 1 65 65 LEU HD21 H 1 0.918 . . 1 . . . . . 65 LEU HD21 . 34005 1 746 . 1 1 65 65 LEU HD22 H 1 0.918 . . 1 . . . . . 65 LEU HD22 . 34005 1 747 . 1 1 65 65 LEU HD23 H 1 0.918 . . 1 . . . . . 65 LEU HD23 . 34005 1 748 . 1 1 65 65 LEU CA C 13 57.694 . . 1 . . . . . 65 LEU CA . 34005 1 749 . 1 1 65 65 LEU CB C 13 42.242 . . 1 . . . . . 65 LEU CB . 34005 1 750 . 1 1 65 65 LEU CG C 13 27.301 . . 1 . . . . . 65 LEU CG . 34005 1 751 . 1 1 65 65 LEU CD1 C 13 25.364 . . 1 . . . . . 65 LEU CD1 . 34005 1 752 . 1 1 65 65 LEU CD2 C 13 24.751 . . 1 . . . . . 65 LEU CD2 . 34005 1 753 . 1 1 65 65 LEU N N 15 120.096 . . 1 . . . . . 65 LEU N . 34005 1 754 . 1 1 66 66 LEU H H 1 8.055 . . 1 . . . . . 66 LEU H . 34005 1 755 . 1 1 66 66 LEU HA H 1 4.019 . . 1 . . . . . 66 LEU HA . 34005 1 756 . 1 1 66 66 LEU HB2 H 1 1.437 . . 2 . . . . . 66 LEU HB2 . 34005 1 757 . 1 1 66 66 LEU HB3 H 1 1.692 . . 2 . . . . . 66 LEU HB3 . 34005 1 758 . 1 1 66 66 LEU HG H 1 1.656 . . 1 . . . . . 66 LEU HG . 34005 1 759 . 1 1 66 66 LEU HD11 H 1 0.713 . . 1 . . . . . 66 LEU HD11 . 34005 1 760 . 1 1 66 66 LEU HD12 H 1 0.713 . . 1 . . . . . 66 LEU HD12 . 34005 1 761 . 1 1 66 66 LEU HD13 H 1 0.713 . . 1 . . . . . 66 LEU HD13 . 34005 1 762 . 1 1 66 66 LEU HD21 H 1 0.674 . . 1 . . . . . 66 LEU HD21 . 34005 1 763 . 1 1 66 66 LEU HD22 H 1 0.674 . . 1 . . . . . 66 LEU HD22 . 34005 1 764 . 1 1 66 66 LEU HD23 H 1 0.674 . . 1 . . . . . 66 LEU HD23 . 34005 1 765 . 1 1 66 66 LEU CA C 13 56.973 . . 1 . . . . . 66 LEU CA . 34005 1 766 . 1 1 66 66 LEU CB C 13 41.297 . . 1 . . . . . 66 LEU CB . 34005 1 767 . 1 1 66 66 LEU CG C 13 26.720 . . 1 . . . . . 66 LEU CG . 34005 1 768 . 1 1 66 66 LEU CD1 C 13 25.423 . . 1 . . . . . 66 LEU CD1 . 34005 1 769 . 1 1 66 66 LEU CD2 C 13 22.586 . . 1 . . . . . 66 LEU CD2 . 34005 1 770 . 1 1 66 66 LEU N N 15 117.426 . . 1 . . . . . 66 LEU N . 34005 1 771 . 1 1 67 67 ARG H H 1 7.572 . . 1 . . . . . 67 ARG H . 34005 1 772 . 1 1 67 67 ARG HA H 1 4.098 . . 1 . . . . . 67 ARG HA . 34005 1 773 . 1 1 67 67 ARG HB2 H 1 1.799 . . 2 . . . . . 67 ARG HB2 . 34005 1 774 . 1 1 67 67 ARG HB3 H 1 1.801 . . 2 . . . . . 67 ARG HB3 . 34005 1 775 . 1 1 67 67 ARG HG2 H 1 1.533 . . 2 . . . . . 67 ARG HG2 . 34005 1 776 . 1 1 67 67 ARG HG3 H 1 1.653 . . 2 . . . . . 67 ARG HG3 . 34005 1 777 . 1 1 67 67 ARG HD2 H 1 3.131 . . 2 . . . . . 67 ARG HD2 . 34005 1 778 . 1 1 67 67 ARG HD3 H 1 3.134 . . 2 . . . . . 67 ARG HD3 . 34005 1 779 . 1 1 67 67 ARG CA C 13 57.988 . . 1 . . . . . 67 ARG CA . 34005 1 780 . 1 1 67 67 ARG CB C 13 30.225 . . 1 . . . . . 67 ARG CB . 34005 1 781 . 1 1 67 67 ARG CG C 13 27.458 . . 1 . . . . . 67 ARG CG . 34005 1 782 . 1 1 67 67 ARG CD C 13 43.453 . . 1 . . . . . 67 ARG CD . 34005 1 783 . 1 1 67 67 ARG N N 15 117.564 . . 1 . . . . . 67 ARG N . 34005 1 784 . 1 1 68 68 HIS H H 1 7.934 . . 1 . . . . . 68 HIS H . 34005 1 785 . 1 1 68 68 HIS HA H 1 4.553 . . 1 . . . . . 68 HIS HA . 34005 1 786 . 1 1 68 68 HIS HB2 H 1 3.179 . . 2 . . . . . 68 HIS HB2 . 34005 1 787 . 1 1 68 68 HIS HB3 H 1 3.313 . . 2 . . . . . 68 HIS HB3 . 34005 1 788 . 1 1 68 68 HIS HD2 H 1 7.085 . . 1 . . . . . 68 HIS HD2 . 34005 1 789 . 1 1 68 68 HIS HE1 H 1 8.073 . . 1 . . . . . 68 HIS HE1 . 34005 1 790 . 1 1 68 68 HIS CA C 13 57.552 . . 1 . . . . . 68 HIS CA . 34005 1 791 . 1 1 68 68 HIS CB C 13 30.294 . . 1 . . . . . 68 HIS CB . 34005 1 792 . 1 1 68 68 HIS CD2 C 13 120.137 . . 1 . . . . . 68 HIS CD2 . 34005 1 793 . 1 1 68 68 HIS CE1 C 13 137.834 . . 1 . . . . . 68 HIS CE1 . 34005 1 794 . 1 1 68 68 HIS N N 15 118.270 . . 1 . . . . . 68 HIS N . 34005 1 795 . 1 1 69 69 VAL H H 1 8.003 . . 1 . . . . . 69 VAL H . 34005 1 796 . 1 1 69 69 VAL HA H 1 3.979 . . 1 . . . . . 69 VAL HA . 34005 1 797 . 1 1 69 69 VAL HB H 1 2.129 . . 1 . . . . . 69 VAL HB . 34005 1 798 . 1 1 69 69 VAL HG11 H 1 0.918 . . 2 . . . . . 69 VAL HG11 . 34005 1 799 . 1 1 69 69 VAL HG12 H 1 0.918 . . 2 . . . . . 69 VAL HG12 . 34005 1 800 . 1 1 69 69 VAL HG13 H 1 0.918 . . 2 . . . . . 69 VAL HG13 . 34005 1 801 . 1 1 69 69 VAL HG21 H 1 0.955 . . 2 . . . . . 69 VAL HG21 . 34005 1 802 . 1 1 69 69 VAL HG22 H 1 0.955 . . 2 . . . . . 69 VAL HG22 . 34005 1 803 . 1 1 69 69 VAL HG23 H 1 0.955 . . 2 . . . . . 69 VAL HG23 . 34005 1 804 . 1 1 69 69 VAL CA C 13 63.583 . . 1 . . . . . 69 VAL CA . 34005 1 805 . 1 1 69 69 VAL CB C 13 32.290 . . 1 . . . . . 69 VAL CB . 34005 1 806 . 1 1 69 69 VAL CG1 C 13 20.826 . . 2 . . . . . 69 VAL CG1 . 34005 1 807 . 1 1 69 69 VAL CG2 C 13 21.242 . . 2 . . . . . 69 VAL CG2 . 34005 1 808 . 1 1 69 69 VAL N N 15 118.941 . . 1 . . . . . 69 VAL N . 34005 1 809 . 1 1 70 70 GLN H H 1 8.275 . . 1 . . . . . 70 GLN H . 34005 1 810 . 1 1 70 70 GLN HA H 1 4.273 . . 1 . . . . . 70 GLN HA . 34005 1 811 . 1 1 70 70 GLN HB2 H 1 2.045 . . 2 . . . . . 70 GLN HB2 . 34005 1 812 . 1 1 70 70 GLN HB3 H 1 2.091 . . 2 . . . . . 70 GLN HB3 . 34005 1 813 . 1 1 70 70 GLN HG2 H 1 2.389 . . 2 . . . . . 70 GLN HG2 . 34005 1 814 . 1 1 70 70 GLN HG3 H 1 2.381 . . 2 . . . . . 70 GLN HG3 . 34005 1 815 . 1 1 70 70 GLN CA C 13 56.601 . . 1 . . . . . 70 GLN CA . 34005 1 816 . 1 1 70 70 GLN CB C 13 29.283 . . 1 . . . . . 70 GLN CB . 34005 1 817 . 1 1 70 70 GLN CG C 13 34.040 . . 1 . . . . . 70 GLN CG . 34005 1 818 . 1 1 70 70 GLN N N 15 122.062 . . 1 . . . . . 70 GLN N . 34005 1 819 . 1 1 71 71 SER H H 1 8.153 . . 1 . . . . . 71 SER H . 34005 1 820 . 1 1 71 71 SER HA H 1 4.384 . . 1 . . . . . 71 SER HA . 34005 1 821 . 1 1 71 71 SER HB2 H 1 3.862 . . 2 . . . . . 71 SER HB2 . 34005 1 822 . 1 1 71 71 SER HB3 H 1 3.862 . . 2 . . . . . 71 SER HB3 . 34005 1 823 . 1 1 71 71 SER CA C 13 59.230 . . 1 . . . . . 71 SER CA . 34005 1 824 . 1 1 71 71 SER CB C 13 63.748 . . 1 . . . . . 71 SER CB . 34005 1 825 . 1 1 71 71 SER N N 15 116.298 . . 1 . . . . . 71 SER N . 34005 1 826 . 1 1 72 72 LYS H H 1 8.156 . . 1 . . . . . 72 LYS H . 34005 1 827 . 1 1 72 72 LYS HA H 1 4.305 . . 1 . . . . . 72 LYS HA . 34005 1 828 . 1 1 72 72 LYS CA C 13 56.542 . . 1 . . . . . 72 LYS CA . 34005 1 829 . 1 1 72 72 LYS CB C 13 32.758 . . 1 . . . . . 72 LYS CB . 34005 1 830 . 1 1 72 72 LYS N N 15 122.458 . . 1 . . . . . 72 LYS N . 34005 1 831 . 1 1 73 73 SER H H 1 8.161 . . 1 . . . . . 73 SER H . 34005 1 832 . 1 1 73 73 SER HA H 1 4.424 . . 1 . . . . . 73 SER HA . 34005 1 833 . 1 1 73 73 SER HB2 H 1 3.828 . . 2 . . . . . 73 SER HB2 . 34005 1 834 . 1 1 73 73 SER HB3 H 1 3.828 . . 2 . . . . . 73 SER HB3 . 34005 1 835 . 1 1 73 73 SER CA C 13 58.571 . . 1 . . . . . 73 SER CA . 34005 1 836 . 1 1 73 73 SER CB C 13 63.772 . . 1 . . . . . 73 SER CB . 34005 1 837 . 1 1 73 73 SER N N 15 116.218 . . 1 . . . . . 73 SER N . 34005 1 838 . 1 1 74 74 LEU H H 1 8.172 . . 1 . . . . . 74 LEU H . 34005 1 839 . 1 1 74 74 LEU HA H 1 4.372 . . 1 . . . . . 74 LEU HA . 34005 1 840 . 1 1 74 74 LEU HB2 H 1 1.600 . . 2 . . . . . 74 LEU HB2 . 34005 1 841 . 1 1 74 74 LEU HB3 H 1 1.601 . . 2 . . . . . 74 LEU HB3 . 34005 1 842 . 1 1 74 74 LEU HD11 H 1 0.860 . . 1 . . . . . 74 LEU HD11 . 34005 1 843 . 1 1 74 74 LEU HD12 H 1 0.860 . . 1 . . . . . 74 LEU HD12 . 34005 1 844 . 1 1 74 74 LEU HD13 H 1 0.860 . . 1 . . . . . 74 LEU HD13 . 34005 1 845 . 1 1 74 74 LEU HD21 H 1 0.814 . . 1 . . . . . 74 LEU HD21 . 34005 1 846 . 1 1 74 74 LEU HD22 H 1 0.814 . . 1 . . . . . 74 LEU HD22 . 34005 1 847 . 1 1 74 74 LEU HD23 H 1 0.814 . . 1 . . . . . 74 LEU HD23 . 34005 1 848 . 1 1 74 74 LEU CA C 13 55.408 . . 1 . . . . . 74 LEU CA . 34005 1 849 . 1 1 74 74 LEU CB C 13 42.365 . . 1 . . . . . 74 LEU CB . 34005 1 850 . 1 1 74 74 LEU CG C 13 27.041 . . 1 . . . . . 74 LEU CG . 34005 1 851 . 1 1 74 74 LEU CD1 C 13 25.118 . . 1 . . . . . 74 LEU CD1 . 34005 1 852 . 1 1 74 74 LEU CD2 C 13 23.644 . . 1 . . . . . 74 LEU CD2 . 34005 1 853 . 1 1 74 74 LEU N N 15 123.786 . . 1 . . . . . 74 LEU N . 34005 1 854 . 1 1 75 75 SER H H 1 8.188 . . 1 . . . . . 75 SER H . 34005 1 855 . 1 1 75 75 SER HA H 1 4.434 . . 1 . . . . . 75 SER HA . 34005 1 856 . 1 1 75 75 SER HB2 H 1 3.814 . . 2 . . . . . 75 SER HB2 . 34005 1 857 . 1 1 75 75 SER HB3 H 1 3.814 . . 2 . . . . . 75 SER HB3 . 34005 1 858 . 1 1 75 75 SER CA C 13 58.272 . . 1 . . . . . 75 SER CA . 34005 1 859 . 1 1 75 75 SER CB C 13 63.949 . . 1 . . . . . 75 SER CB . 34005 1 860 . 1 1 75 75 SER N N 15 115.966 . . 1 . . . . . 75 SER N . 34005 1 861 . 1 1 76 76 SER H H 1 8.240 . . 1 . . . . . 76 SER H . 34005 1 862 . 1 1 76 76 SER HA H 1 4.476 . . 1 . . . . . 76 SER HA . 34005 1 863 . 1 1 76 76 SER HB2 H 1 3.837 . . 2 . . . . . 76 SER HB2 . 34005 1 864 . 1 1 76 76 SER HB3 H 1 3.841 . . 2 . . . . . 76 SER HB3 . 34005 1 865 . 1 1 76 76 SER CA C 13 58.215 . . 1 . . . . . 76 SER CA . 34005 1 866 . 1 1 76 76 SER CB C 13 63.954 . . 1 . . . . . 76 SER CB . 34005 1 867 . 1 1 76 76 SER N N 15 117.880 . . 1 . . . . . 76 SER N . 34005 1 868 . 1 1 77 77 THR H H 1 8.129 . . 1 . . . . . 77 THR H . 34005 1 869 . 1 1 77 77 THR HA H 1 4.564 . . 1 . . . . . 77 THR HA . 34005 1 870 . 1 1 77 77 THR HB H 1 4.091 . . 1 . . . . . 77 THR HB . 34005 1 871 . 1 1 77 77 THR HG21 H 1 1.191 . . 1 . . . . . 77 THR HG21 . 34005 1 872 . 1 1 77 77 THR HG22 H 1 1.191 . . 1 . . . . . 77 THR HG22 . 34005 1 873 . 1 1 77 77 THR HG23 H 1 1.191 . . 1 . . . . . 77 THR HG23 . 34005 1 874 . 1 1 77 77 THR CA C 13 60.022 . . 1 . . . . . 77 THR CA . 34005 1 875 . 1 1 77 77 THR CB C 13 69.834 . . 1 . . . . . 77 THR CB . 34005 1 876 . 1 1 77 77 THR CG2 C 13 21.463 . . 1 . . . . . 77 THR CG2 . 34005 1 877 . 1 1 77 77 THR N N 15 118.250 . . 1 . . . . . 77 THR N . 34005 1 878 . 1 1 78 78 PRO HA H 1 4.364 . . 1 . . . . . 78 PRO HA . 34005 1 879 . 1 1 78 78 PRO HB2 H 1 1.846 . . 2 . . . . . 78 PRO HB2 . 34005 1 880 . 1 1 78 78 PRO HB3 H 1 2.244 . . 2 . . . . . 78 PRO HB3 . 34005 1 881 . 1 1 78 78 PRO HG2 H 1 1.984 . . 2 . . . . . 78 PRO HG2 . 34005 1 882 . 1 1 78 78 PRO HG3 H 1 1.956 . . 2 . . . . . 78 PRO HG3 . 34005 1 883 . 1 1 78 78 PRO HD2 H 1 3.651 . . 2 . . . . . 78 PRO HD2 . 34005 1 884 . 1 1 78 78 PRO HD3 H 1 3.813 . . 2 . . . . . 78 PRO HD3 . 34005 1 885 . 1 1 78 78 PRO CA C 13 63.322 . . 1 . . . . . 78 PRO CA . 34005 1 886 . 1 1 78 78 PRO CB C 13 32.150 . . 1 . . . . . 78 PRO CB . 34005 1 887 . 1 1 78 78 PRO CG C 13 27.407 . . 1 . . . . . 78 PRO CG . 34005 1 888 . 1 1 78 78 PRO CD C 13 51.194 . . 1 . . . . . 78 PRO CD . 34005 1 889 . 1 1 79 79 GLN H H 1 8.415 . . 1 . . . . . 79 GLN H . 34005 1 890 . 1 1 79 79 GLN HA H 1 4.239 . . 1 . . . . . 79 GLN HA . 34005 1 891 . 1 1 79 79 GLN HB2 H 1 1.901 . . 2 . . . . . 79 GLN HB2 . 34005 1 892 . 1 1 79 79 GLN HB3 H 1 2.019 . . 2 . . . . . 79 GLN HB3 . 34005 1 893 . 1 1 79 79 GLN HG2 H 1 2.339 . . 2 . . . . . 79 GLN HG2 . 34005 1 894 . 1 1 79 79 GLN HG3 H 1 2.340 . . 2 . . . . . 79 GLN HG3 . 34005 1 895 . 1 1 79 79 GLN CA C 13 55.487 . . 1 . . . . . 79 GLN CA . 34005 1 896 . 1 1 79 79 GLN CB C 13 29.742 . . 1 . . . . . 79 GLN CB . 34005 1 897 . 1 1 79 79 GLN CG C 13 33.882 . . 1 . . . . . 79 GLN CG . 34005 1 898 . 1 1 79 79 GLN N N 15 120.979 . . 1 . . . . . 79 GLN N . 34005 1 899 . 1 1 80 80 ALA H H 1 8.292 . . 1 . . . . . 80 ALA H . 34005 1 900 . 1 1 80 80 ALA HA H 1 4.531 . . 1 . . . . . 80 ALA HA . 34005 1 901 . 1 1 80 80 ALA HB1 H 1 1.304 . . 1 . . . . . 80 ALA HB1 . 34005 1 902 . 1 1 80 80 ALA HB2 H 1 1.304 . . 1 . . . . . 80 ALA HB2 . 34005 1 903 . 1 1 80 80 ALA HB3 H 1 1.304 . . 1 . . . . . 80 ALA HB3 . 34005 1 904 . 1 1 80 80 ALA CA C 13 50.540 . . 1 . . . . . 80 ALA CA . 34005 1 905 . 1 1 80 80 ALA CB C 13 18.124 . . 1 . . . . . 80 ALA CB . 34005 1 906 . 1 1 80 80 ALA N N 15 127.122 . . 1 . . . . . 80 ALA N . 34005 1 907 . 1 1 81 81 PRO HA H 1 4.412 . . 1 . . . . . 81 PRO HA . 34005 1 908 . 1 1 81 81 PRO HB2 H 1 1.848 . . 2 . . . . . 81 PRO HB2 . 34005 1 909 . 1 1 81 81 PRO HB3 H 1 2.242 . . 2 . . . . . 81 PRO HB3 . 34005 1 910 . 1 1 81 81 PRO HG2 H 1 1.972 . . 2 . . . . . 81 PRO HG2 . 34005 1 911 . 1 1 81 81 PRO HG3 H 1 1.976 . . 2 . . . . . 81 PRO HG3 . 34005 1 912 . 1 1 81 81 PRO HD2 H 1 3.589 . . 2 . . . . . 81 PRO HD2 . 34005 1 913 . 1 1 81 81 PRO HD3 H 1 3.755 . . 2 . . . . . 81 PRO HD3 . 34005 1 914 . 1 1 81 81 PRO CA C 13 62.983 . . 1 . . . . . 81 PRO CA . 34005 1 915 . 1 1 81 81 PRO CB C 13 32.073 . . 1 . . . . . 81 PRO CB . 34005 1 916 . 1 1 81 81 PRO CG C 13 27.430 . . 1 . . . . . 81 PRO CG . 34005 1 917 . 1 1 81 81 PRO CD C 13 50.553 . . 1 . . . . . 81 PRO CD . 34005 1 918 . 1 1 82 82 VAL H H 1 8.204 . . 1 . . . . . 82 VAL H . 34005 1 919 . 1 1 82 82 VAL HA H 1 4.031 . . 1 . . . . . 82 VAL HA . 34005 1 920 . 1 1 82 82 VAL HB H 1 2.015 . . 1 . . . . . 82 VAL HB . 34005 1 921 . 1 1 82 82 VAL HG11 H 1 0.906 . . 2 . . . . . 82 VAL HG11 . 34005 1 922 . 1 1 82 82 VAL HG12 H 1 0.906 . . 2 . . . . . 82 VAL HG12 . 34005 1 923 . 1 1 82 82 VAL HG13 H 1 0.906 . . 2 . . . . . 82 VAL HG13 . 34005 1 924 . 1 1 82 82 VAL HG21 H 1 0.909 . . 2 . . . . . 82 VAL HG21 . 34005 1 925 . 1 1 82 82 VAL HG22 H 1 0.909 . . 2 . . . . . 82 VAL HG22 . 34005 1 926 . 1 1 82 82 VAL HG23 H 1 0.909 . . 2 . . . . . 82 VAL HG23 . 34005 1 927 . 1 1 82 82 VAL CA C 13 62.428 . . 1 . . . . . 82 VAL CA . 34005 1 928 . 1 1 82 82 VAL CB C 13 32.754 . . 1 . . . . . 82 VAL CB . 34005 1 929 . 1 1 82 82 VAL CG1 C 13 21.057 . . 2 . . . . . 82 VAL CG1 . 34005 1 930 . 1 1 82 82 VAL CG2 C 13 20.864 . . 2 . . . . . 82 VAL CG2 . 34005 1 931 . 1 1 82 82 VAL N N 15 120.446 . . 1 . . . . . 82 VAL N . 34005 1 932 . 1 1 83 83 SER H H 1 8.304 . . 1 . . . . . 83 SER H . 34005 1 933 . 1 1 83 83 SER HA H 1 4.398 . . 1 . . . . . 83 SER HA . 34005 1 934 . 1 1 83 83 SER HB2 H 1 3.798 . . 2 . . . . . 83 SER HB2 . 34005 1 935 . 1 1 83 83 SER HB3 H 1 3.790 . . 2 . . . . . 83 SER HB3 . 34005 1 936 . 1 1 83 83 SER CA C 13 58.273 . . 1 . . . . . 83 SER CA . 34005 1 937 . 1 1 83 83 SER CB C 13 63.869 . . 1 . . . . . 83 SER CB . 34005 1 938 . 1 1 83 83 SER N N 15 119.326 . . 1 . . . . . 83 SER N . 34005 1 939 . 1 1 84 84 LYS H H 1 8.303 . . 1 . . . . . 84 LYS H . 34005 1 940 . 1 1 84 84 LYS HA H 1 4.277 . . 1 . . . . . 84 LYS HA . 34005 1 941 . 1 1 84 84 LYS HB2 H 1 1.670 . . 2 . . . . . 84 LYS HB2 . 34005 1 942 . 1 1 84 84 LYS HB3 H 1 1.797 . . 2 . . . . . 84 LYS HB3 . 34005 1 943 . 1 1 84 84 LYS HG2 H 1 1.376 . . 2 . . . . . 84 LYS HG2 . 34005 1 944 . 1 1 84 84 LYS HG3 H 1 1.383 . . 2 . . . . . 84 LYS HG3 . 34005 1 945 . 1 1 84 84 LYS HD2 H 1 1.641 . . 2 . . . . . 84 LYS HD2 . 34005 1 946 . 1 1 84 84 LYS HD3 H 1 1.640 . . 2 . . . . . 84 LYS HD3 . 34005 1 947 . 1 1 84 84 LYS HE2 H 1 2.941 . . 2 . . . . . 84 LYS HE2 . 34005 1 948 . 1 1 84 84 LYS HE3 H 1 2.942 . . 2 . . . . . 84 LYS HE3 . 34005 1 949 . 1 1 84 84 LYS CA C 13 56.363 . . 1 . . . . . 84 LYS CA . 34005 1 950 . 1 1 84 84 LYS CB C 13 33.053 . . 1 . . . . . 84 LYS CB . 34005 1 951 . 1 1 84 84 LYS CG C 13 24.753 . . 1 . . . . . 84 LYS CG . 34005 1 952 . 1 1 84 84 LYS CD C 13 29.117 . . 1 . . . . . 84 LYS CD . 34005 1 953 . 1 1 84 84 LYS CE C 13 42.193 . . 1 . . . . . 84 LYS CE . 34005 1 954 . 1 1 84 84 LYS N N 15 123.696 . . 1 . . . . . 84 LYS N . 34005 1 955 . 1 1 85 85 ARG H H 1 8.236 . . 1 . . . . . 85 ARG H . 34005 1 956 . 1 1 85 85 ARG HA H 1 4.250 . . 1 . . . . . 85 ARG HA . 34005 1 957 . 1 1 85 85 ARG HB2 H 1 1.691 . . 2 . . . . . 85 ARG HB2 . 34005 1 958 . 1 1 85 85 ARG HB3 H 1 1.762 . . 2 . . . . . 85 ARG HB3 . 34005 1 959 . 1 1 85 85 ARG HG2 H 1 1.561 . . 2 . . . . . 85 ARG HG2 . 34005 1 960 . 1 1 85 85 ARG HG3 H 1 1.573 . . 2 . . . . . 85 ARG HG3 . 34005 1 961 . 1 1 85 85 ARG HD2 H 1 3.139 . . 2 . . . . . 85 ARG HD2 . 34005 1 962 . 1 1 85 85 ARG HD3 H 1 3.139 . . 2 . . . . . 85 ARG HD3 . 34005 1 963 . 1 1 85 85 ARG CA C 13 56.084 . . 1 . . . . . 85 ARG CA . 34005 1 964 . 1 1 85 85 ARG CB C 13 30.931 . . 1 . . . . . 85 ARG CB . 34005 1 965 . 1 1 85 85 ARG CG C 13 27.112 . . 1 . . . . . 85 ARG CG . 34005 1 966 . 1 1 85 85 ARG CD C 13 43.412 . . 1 . . . . . 85 ARG CD . 34005 1 967 . 1 1 85 85 ARG N N 15 122.519 . . 1 . . . . . 85 ARG N . 34005 1 968 . 1 1 86 86 ARG H H 1 8.351 . . 1 . . . . . 86 ARG H . 34005 1 969 . 1 1 86 86 ARG HA H 1 4.256 . . 1 . . . . . 86 ARG HA . 34005 1 970 . 1 1 86 86 ARG HB2 H 1 1.699 . . 2 . . . . . 86 ARG HB2 . 34005 1 971 . 1 1 86 86 ARG HB3 H 1 1.788 . . 2 . . . . . 86 ARG HB3 . 34005 1 972 . 1 1 86 86 ARG HG2 H 1 1.586 . . 2 . . . . . 86 ARG HG2 . 34005 1 973 . 1 1 86 86 ARG HG3 H 1 1.587 . . 2 . . . . . 86 ARG HG3 . 34005 1 974 . 1 1 86 86 ARG HD2 H 1 3.152 . . 2 . . . . . 86 ARG HD2 . 34005 1 975 . 1 1 86 86 ARG HD3 H 1 3.152 . . 2 . . . . . 86 ARG HD3 . 34005 1 976 . 1 1 86 86 ARG CA C 13 56.093 . . 1 . . . . . 86 ARG CA . 34005 1 977 . 1 1 86 86 ARG CB C 13 30.991 . . 1 . . . . . 86 ARG CB . 34005 1 978 . 1 1 86 86 ARG CG C 13 27.098 . . 1 . . . . . 86 ARG CG . 34005 1 979 . 1 1 86 86 ARG CD C 13 43.433 . . 1 . . . . . 86 ARG CD . 34005 1 980 . 1 1 86 86 ARG N N 15 123.332 . . 1 . . . . . 86 ARG N . 34005 1 981 . 1 1 87 87 ALA H H 1 8.316 . . 1 . . . . . 87 ALA H . 34005 1 982 . 1 1 87 87 ALA HA H 1 4.253 . . 1 . . . . . 87 ALA HA . 34005 1 983 . 1 1 87 87 ALA HB1 H 1 1.334 . . 1 . . . . . 87 ALA HB1 . 34005 1 984 . 1 1 87 87 ALA HB2 H 1 1.334 . . 1 . . . . . 87 ALA HB2 . 34005 1 985 . 1 1 87 87 ALA HB3 H 1 1.334 . . 1 . . . . . 87 ALA HB3 . 34005 1 986 . 1 1 87 87 ALA CA C 13 52.448 . . 1 . . . . . 87 ALA CA . 34005 1 987 . 1 1 87 87 ALA CB C 13 19.345 . . 1 . . . . . 87 ALA CB . 34005 1 988 . 1 1 87 87 ALA N N 15 126.547 . . 1 . . . . . 87 ALA N . 34005 1 989 . 1 1 88 88 ALA H H 1 7.839 . . 1 . . . . . 88 ALA H . 34005 1 990 . 1 1 88 88 ALA HA H 1 4.044 . . 1 . . . . . 88 ALA HA . 34005 1 991 . 1 1 88 88 ALA HB1 H 1 1.272 . . 1 . . . . . 88 ALA HB1 . 34005 1 992 . 1 1 88 88 ALA HB2 H 1 1.272 . . 1 . . . . . 88 ALA HB2 . 34005 1 993 . 1 1 88 88 ALA HB3 H 1 1.272 . . 1 . . . . . 88 ALA HB3 . 34005 1 994 . 1 1 88 88 ALA CA C 13 53.790 . . 1 . . . . . 88 ALA CA . 34005 1 995 . 1 1 88 88 ALA CB C 13 20.146 . . 1 . . . . . 88 ALA CB . 34005 1 996 . 1 1 88 88 ALA N N 15 128.957 . . 1 . . . . . 88 ALA N . 34005 1 stop_ save_