data_34490 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34490 _Entry.Title ; Major subunit ComGC from S. pneumoniae Com pseudopili ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-12 _Entry.Accession_date 2020-02-12 _Entry.Last_release_date 2020-04-09 _Entry.Original_release_date 2020-04-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34490 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 D. Sheppard D. . . . 34490 2 J. Berry J. L. . . 34490 3 S. Matthews S. J. . . 34490 4 V. Pelicic V. . . . 34490 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'STRUCTURAL PROTEIN' . 34490 'type IV filaments type IV pilin competence pseudopili mainly alpha orthogonal bundle' . 34490 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34490 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 306 34490 '15N chemical shifts' 81 34490 '1H chemical shifts' 476 34490 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 . . 2020-08-15 2020-02-12 update BMRB 'update entry citation' 34490 1 . . 2020-04-13 2020-02-12 original author 'original release' 34490 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6Y1H . 34490 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34490 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32273343 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The major subunit of widespread competence pseudopili exhibits a novel and conserved type IV pilin fold ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 295 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 6594 _Citation.Page_last 6604 _Citation.Year 2020 _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 D. Sheppard D. . . . 34490 1 2 J. Berry J. L. . . 34490 1 3 R. Denise R. . . . 34490 1 4 E. Rocha E. P.C. . . 34490 1 5 S. Matthews S. J. . . 34490 1 6 V. Pelicic V. . . . 34490 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34490 _Assembly.ID 1 _Assembly.Name 'Competence protein' _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 . . . . . . 34490 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34490 _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 ; NLTKQKEAVNDKGKAAVVKV VESQAELYSLEKNEDASLRK LQADGRITEEQAKAYKEYHD KNGGANRKVND ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7948.803 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASN . 34490 1 2 . LEU . 34490 1 3 . THR . 34490 1 4 . LYS . 34490 1 5 . GLN . 34490 1 6 . LYS . 34490 1 7 . GLU . 34490 1 8 . ALA . 34490 1 9 . VAL . 34490 1 10 . ASN . 34490 1 11 . ASP . 34490 1 12 . LYS . 34490 1 13 . GLY . 34490 1 14 . LYS . 34490 1 15 . ALA . 34490 1 16 . ALA . 34490 1 17 . VAL . 34490 1 18 . VAL . 34490 1 19 . LYS . 34490 1 20 . VAL . 34490 1 21 . VAL . 34490 1 22 . GLU . 34490 1 23 . SER . 34490 1 24 . GLN . 34490 1 25 . ALA . 34490 1 26 . GLU . 34490 1 27 . LEU . 34490 1 28 . TYR . 34490 1 29 . SER . 34490 1 30 . LEU . 34490 1 31 . GLU . 34490 1 32 . LYS . 34490 1 33 . ASN . 34490 1 34 . GLU . 34490 1 35 . ASP . 34490 1 36 . ALA . 34490 1 37 . SER . 34490 1 38 . LEU . 34490 1 39 . ARG . 34490 1 40 . LYS . 34490 1 41 . LEU . 34490 1 42 . GLN . 34490 1 43 . ALA . 34490 1 44 . ASP . 34490 1 45 . GLY . 34490 1 46 . ARG . 34490 1 47 . ILE . 34490 1 48 . THR . 34490 1 49 . GLU . 34490 1 50 . GLU . 34490 1 51 . GLN . 34490 1 52 . ALA . 34490 1 53 . LYS . 34490 1 54 . ALA . 34490 1 55 . TYR . 34490 1 56 . LYS . 34490 1 57 . GLU . 34490 1 58 . TYR . 34490 1 59 . HIS . 34490 1 60 . ASP . 34490 1 61 . LYS . 34490 1 62 . ASN . 34490 1 63 . GLY . 34490 1 64 . GLY . 34490 1 65 . ALA . 34490 1 66 . ASN . 34490 1 67 . ARG . 34490 1 68 . LYS . 34490 1 69 . VAL . 34490 1 70 . ASN . 34490 1 71 . ASP . 34490 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 . ASN 1 1 34490 1 . LEU 2 2 34490 1 . THR 3 3 34490 1 . LYS 4 4 34490 1 . GLN 5 5 34490 1 . LYS 6 6 34490 1 . GLU 7 7 34490 1 . ALA 8 8 34490 1 . VAL 9 9 34490 1 . ASN 10 10 34490 1 . ASP 11 11 34490 1 . LYS 12 12 34490 1 . GLY 13 13 34490 1 . LYS 14 14 34490 1 . ALA 15 15 34490 1 . ALA 16 16 34490 1 . VAL 17 17 34490 1 . VAL 18 18 34490 1 . LYS 19 19 34490 1 . VAL 20 20 34490 1 . VAL 21 21 34490 1 . GLU 22 22 34490 1 . SER 23 23 34490 1 . GLN 24 24 34490 1 . ALA 25 25 34490 1 . GLU 26 26 34490 1 . LEU 27 27 34490 1 . TYR 28 28 34490 1 . SER 29 29 34490 1 . LEU 30 30 34490 1 . GLU 31 31 34490 1 . LYS 32 32 34490 1 . ASN 33 33 34490 1 . GLU 34 34 34490 1 . ASP 35 35 34490 1 . ALA 36 36 34490 1 . SER 37 37 34490 1 . LEU 38 38 34490 1 . ARG 39 39 34490 1 . LYS 40 40 34490 1 . LEU 41 41 34490 1 . GLN 42 42 34490 1 . ALA 43 43 34490 1 . ASP 44 44 34490 1 . GLY 45 45 34490 1 . ARG 46 46 34490 1 . ILE 47 47 34490 1 . THR 48 48 34490 1 . GLU 49 49 34490 1 . GLU 50 50 34490 1 . GLN 51 51 34490 1 . ALA 52 52 34490 1 . LYS 53 53 34490 1 . ALA 54 54 34490 1 . TYR 55 55 34490 1 . LYS 56 56 34490 1 . GLU 57 57 34490 1 . TYR 58 58 34490 1 . HIS 59 59 34490 1 . ASP 60 60 34490 1 . LYS 61 61 34490 1 . ASN 62 62 34490 1 . GLY 63 63 34490 1 . GLY 64 64 34490 1 . ALA 65 65 34490 1 . ASN 66 66 34490 1 . ARG 67 67 34490 1 . LYS 68 68 34490 1 . VAL 69 69 34490 1 . ASN 70 70 34490 1 . ASP 71 71 34490 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 34490 _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 . 171101 organism . 'Streptococcus pneumoniae R6' 'Streptococcus pneumoniae R6' . . Bacteria . Streptococcus pneumoniae . . . . . . . . . . . 'cglC, spr1862' . 34490 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 34490 _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 . . . . . plasmid . . pET28b . . . 34490 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34490 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.8 mM [U-100% 13C; U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ComGC '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.8 . . mM . . . . 34490 1 2 Na2HPO4/NaH2PO4 'natural anundance' . . . . . . 25 . . mM . . . . 34490 1 3 NaCl 'natural anundance' . . . . . . 50 . . mM . . . . 34490 1 4 D2O 'natural anundance' . . . . . . 5 . . % . . . . 34490 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34490 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ComGC '[U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34490 2 2 Na2HPO4/NaH2PO4 'natural anundance' . . . . . . 25 . . mM . . . . 34490 2 3 NaCl 'natural anundance' . . . . . . 50 . . mM . . . . 34490 2 4 D2O 'natural anundance' . . . . . . 5 . . % . . . . 34490 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34490 _Sample.ID 3 _Sample.Name . _Sample.Type 'reverse micelle' _Sample.Sub_type . _Sample.Details '0.5 mM [U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 3.0 % NA PEG/hexanol, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ComGC '[U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34490 3 2 Na2HPO4/NaH2PO4 'natural anundance' . . . . . . 25 . . mM . . . . 34490 3 3 NaCl 'natural anundance' . . . . . . 50 . . mM . . . . 34490 3 4 D2O 'natural anundance' . . . . . . 5 . . % . . . . 34490 3 5 PEG/hexanol 'natural anundance' . . . . . . 3.0 . . % . . . . 34490 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 34490 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34490 1 pH 6.0 . pH 34490 1 pressure 1 . atm 34490 1 temperature 298 . K 34490 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34490 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34490 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34490 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34490 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34490 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34490 2 . 'peak picking' 34490 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34490 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34490 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34490 3 . 'structure calculation' 34490 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 34490 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34490 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 34490 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 34490 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34490 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34490 1 3 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34490 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34490 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34490 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34490 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34490 1 8 '3D HCCCONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34490 1 9 '3D CCCONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34490 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34490 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34490 1 12 '2D IPAP HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34490 1 13 '2D IPAP HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34490 1 14 '3D 15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34490 1 15 '3D 13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34490 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 34490 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34490 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34490 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34490 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 34490 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34490 1 2 '2D 1H-13C HSQC aliphatic' . . . 34490 1 3 '3D CBCANH' . . . 34490 1 4 '3D CBCA(CO)NH' . . . 34490 1 5 '3D HNCA' . . . 34490 1 6 '3D HNCO' . . . 34490 1 7 '3D HN(CA)CO' . . . 34490 1 8 '3D HCCCONH' . . . 34490 1 9 '3D CCCONH' . . . 34490 1 10 '3D HCCH-TOCSY' . . . 34490 1 11 '3D HBHA(CO)NH' . . . 34490 1 12 '2D IPAP HSQC' . . . 34490 1 13 '2D IPAP HSQC' . . . 34490 1 14 '3D 15N NOESY' . . . 34490 1 15 '3D 13C NOESY' . . . 34490 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ASN H H 1 8.508 0.002 . . . . . . A 1 ASN H1 . 34490 1 2 . 1 . 1 1 1 ASN HA H 1 4.583 0.003 . . . . . . A 1 ASN HA . 34490 1 3 . 1 . 1 1 1 ASN HB2 H 1 2.740 0.001 . . . . . . A 1 ASN HB2 . 34490 1 4 . 1 . 1 1 1 ASN HB3 H 1 2.648 0.004 . . . . . . A 1 ASN HB3 . 34490 1 5 . 1 . 1 1 1 ASN C C 13 175.219 0.001 . . . . . . A 1 ASN C . 34490 1 6 . 1 . 1 1 1 ASN CA C 13 53.412 0.089 . . . . . . A 1 ASN CA . 34490 1 7 . 1 . 1 1 1 ASN CB C 13 38.651 0.032 . . . . . . A 1 ASN CB . 34490 1 8 . 1 . 1 1 1 ASN N N 15 119.940 0.020 . . . . . . A 1 ASN N . 34490 1 9 . 1 . 1 2 2 LEU H H 1 8.265 0.004 . . . . . . A 2 LEU H . 34490 1 10 . 1 . 1 2 2 LEU HA H 1 4.276 0.001 . . . . . . A 2 LEU HA . 34490 1 11 . 1 . 1 2 2 LEU HB2 H 1 1.580 0.002 . . . . . . A 2 LEU HB2 . 34490 1 12 . 1 . 1 2 2 LEU HB3 H 1 1.523 0.003 . . . . . . A 2 LEU HB3 . 34490 1 13 . 1 . 1 2 2 LEU HG H 1 1.521 0.000 . . . . . . A 2 LEU HG . 34490 1 14 . 1 . 1 2 2 LEU HD11 H 1 0.817 0.016 . . . . . . A 2 LEU HD11 . 34490 1 15 . 1 . 1 2 2 LEU HD12 H 1 0.817 0.016 . . . . . . A 2 LEU HD12 . 34490 1 16 . 1 . 1 2 2 LEU HD13 H 1 0.817 0.016 . . . . . . A 2 LEU HD13 . 34490 1 17 . 1 . 1 2 2 LEU HD21 H 1 0.753 0.000 . . . . . . A 2 LEU HD21 . 34490 1 18 . 1 . 1 2 2 LEU HD22 H 1 0.753 0.000 . . . . . . A 2 LEU HD22 . 34490 1 19 . 1 . 1 2 2 LEU HD23 H 1 0.753 0.000 . . . . . . A 2 LEU HD23 . 34490 1 20 . 1 . 1 2 2 LEU C C 13 177.690 0.003 . . . . . . A 2 LEU C . 34490 1 21 . 1 . 1 2 2 LEU CA C 13 55.576 0.024 . . . . . . A 2 LEU CA . 34490 1 22 . 1 . 1 2 2 LEU CB C 13 42.222 0.047 . . . . . . A 2 LEU CB . 34490 1 23 . 1 . 1 2 2 LEU CG C 13 26.918 0.032 . . . . . . A 2 LEU CG . 34490 1 24 . 1 . 1 2 2 LEU CD1 C 13 24.905 0.061 . . . . . . A 2 LEU CD1 . 34490 1 25 . 1 . 1 2 2 LEU CD2 C 13 23.353 0.048 . . . . . . A 2 LEU CD2 . 34490 1 26 . 1 . 1 2 2 LEU N N 15 122.629 0.050 . . . . . . A 2 LEU N . 34490 1 27 . 1 . 1 3 3 THR H H 1 8.018 0.003 . . . . . . A 3 THR H . 34490 1 28 . 1 . 1 3 3 THR HA H 1 4.184 0.003 . . . . . . A 3 THR HA . 34490 1 29 . 1 . 1 3 3 THR HB H 1 4.127 0.000 . . . . . . A 3 THR HB . 34490 1 30 . 1 . 1 3 3 THR HG21 H 1 1.114 0.001 . . . . . . A 3 THR HG21 . 34490 1 31 . 1 . 1 3 3 THR HG22 H 1 1.114 0.001 . . . . . . A 3 THR HG22 . 34490 1 32 . 1 . 1 3 3 THR HG23 H 1 1.114 0.001 . . . . . . A 3 THR HG23 . 34490 1 33 . 1 . 1 3 3 THR C C 13 174.590 0.002 . . . . . . A 3 THR C . 34490 1 34 . 1 . 1 3 3 THR CA C 13 62.308 0.125 . . . . . . A 3 THR CA . 34490 1 35 . 1 . 1 3 3 THR CB C 13 69.647 0.042 . . . . . . A 3 THR CB . 34490 1 36 . 1 . 1 3 3 THR CG2 C 13 21.661 0.016 . . . . . . A 3 THR CG2 . 34490 1 37 . 1 . 1 3 3 THR N N 15 114.714 0.068 . . . . . . A 3 THR N . 34490 1 38 . 1 . 1 4 4 LYS H H 1 8.163 0.005 . . . . . . A 4 LYS H . 34490 1 39 . 1 . 1 4 4 LYS HA H 1 4.202 0.002 . . . . . . A 4 LYS HA . 34490 1 40 . 1 . 1 4 4 LYS HB2 H 1 1.742 0.002 . . . . . . A 4 LYS HB2 . 34490 1 41 . 1 . 1 4 4 LYS HB3 H 1 1.668 0.008 . . . . . . A 4 LYS HB3 . 34490 1 42 . 1 . 1 4 4 LYS HG2 H 1 1.356 0.010 . . . . . . A 4 LYS HG2 . 34490 1 43 . 1 . 1 4 4 LYS HG3 H 1 1.323 0.002 . . . . . . A 4 LYS HG3 . 34490 1 44 . 1 . 1 4 4 LYS HD2 H 1 1.586 0.000 . . . . . . A 4 LYS HD2 . 34490 1 45 . 1 . 1 4 4 LYS HD3 H 1 1.530 0.000 . . . . . . A 4 LYS HD3 . 34490 1 46 . 1 . 1 4 4 LYS HE2 H 1 2.538 0.000 . . . . . . A 4 LYS HE2 . 34490 1 47 . 1 . 1 4 4 LYS HE3 H 1 2.479 0.000 . . . . . . A 4 LYS HE3 . 34490 1 48 . 1 . 1 4 4 LYS C C 13 176.595 0.003 . . . . . . A 4 LYS C . 34490 1 49 . 1 . 1 4 4 LYS CA C 13 56.481 0.080 . . . . . . A 4 LYS CA . 34490 1 50 . 1 . 1 4 4 LYS CB C 13 32.825 0.044 . . . . . . A 4 LYS CB . 34490 1 51 . 1 . 1 4 4 LYS CG C 13 24.735 0.050 . . . . . . A 4 LYS CG . 34490 1 52 . 1 . 1 4 4 LYS CD C 13 28.948 0.079 . . . . . . A 4 LYS CD . 34490 1 53 . 1 . 1 4 4 LYS CE C 13 41.203 0.180 . . . . . . A 4 LYS CE . 34490 1 54 . 1 . 1 4 4 LYS N N 15 123.459 0.067 . . . . . . A 4 LYS N . 34490 1 55 . 1 . 1 5 5 GLN H H 1 8.277 0.003 . . . . . . A 5 GLN H . 34490 1 56 . 1 . 1 5 5 GLN HA H 1 4.189 0.001 . . . . . . A 5 GLN HA . 34490 1 57 . 1 . 1 5 5 GLN HB2 H 1 2.045 0.092 . . . . . . A 5 GLN HB2 . 34490 1 58 . 1 . 1 5 5 GLN HB3 H 1 1.944 0.095 . . . . . . A 5 GLN HB3 . 34490 1 59 . 1 . 1 5 5 GLN HG2 H 1 2.288 0.003 . . . . . . A 5 GLN HG2 . 34490 1 60 . 1 . 1 5 5 GLN HG3 H 1 2.287 0.004 . . . . . . A 5 GLN HG3 . 34490 1 61 . 1 . 1 5 5 GLN HE21 H 1 7.457 0.001 . . . . . . A 5 GLN HE21 . 34490 1 62 . 1 . 1 5 5 GLN HE22 H 1 6.781 0.001 . . . . . . A 5 GLN HE22 . 34490 1 63 . 1 . 1 5 5 GLN C C 13 176.271 0.245 . . . . . . A 5 GLN C . 34490 1 64 . 1 . 1 5 5 GLN CA C 13 56.075 0.050 . . . . . . A 5 GLN CA . 34490 1 65 . 1 . 1 5 5 GLN CB C 13 29.383 0.062 . . . . . . A 5 GLN CB . 34490 1 66 . 1 . 1 5 5 GLN CG C 13 33.747 0.020 . . . . . . A 5 GLN CG . 34490 1 67 . 1 . 1 5 5 GLN CD C 13 180.329 0.008 . . . . . . A 5 GLN CD . 34490 1 68 . 1 . 1 5 5 GLN N N 15 121.679 0.055 . . . . . . A 5 GLN N . 34490 1 69 . 1 . 1 5 5 GLN NE2 N 15 111.921 0.020 . . . . . . A 5 GLN NE2 . 34490 1 70 . 1 . 1 6 6 LYS H H 1 8.283 0.005 . . . . . . A 6 LYS H . 34490 1 71 . 1 . 1 6 6 LYS HA H 1 4.159 0.004 . . . . . . A 6 LYS HA . 34490 1 72 . 1 . 1 6 6 LYS HB2 H 1 1.736 0.011 . . . . . . A 6 LYS HB2 . 34490 1 73 . 1 . 1 6 6 LYS HB3 H 1 1.693 0.000 . . . . . . A 6 LYS HB3 . 34490 1 74 . 1 . 1 6 6 LYS HG2 H 1 1.596 0.003 . . . . . . A 6 LYS HG2 . 34490 1 75 . 1 . 1 6 6 LYS HD2 H 1 1.596 0.002 . . . . . . A 6 LYS HD2 . 34490 1 76 . 1 . 1 6 6 LYS HE2 H 1 2.915 0.000 . . . . . . A 6 LYS HE2 . 34490 1 77 . 1 . 1 6 6 LYS C C 13 176.452 0.249 . . . . . . A 6 LYS C . 34490 1 78 . 1 . 1 6 6 LYS CA C 13 56.722 0.077 . . . . . . A 6 LYS CA . 34490 1 79 . 1 . 1 6 6 LYS CB C 13 32.917 0.055 . . . . . . A 6 LYS CB . 34490 1 80 . 1 . 1 6 6 LYS CG C 13 24.904 0.133 . . . . . . A 6 LYS CG . 34490 1 81 . 1 . 1 6 6 LYS CD C 13 29.052 0.070 . . . . . . A 6 LYS CD . 34490 1 82 . 1 . 1 6 6 LYS CE C 13 42.113 0.011 . . . . . . A 6 LYS CE . 34490 1 83 . 1 . 1 6 6 LYS N N 15 122.659 0.076 . . . . . . A 6 LYS N . 34490 1 84 . 1 . 1 7 7 GLU H H 1 8.321 0.002 . . . . . . A 7 GLU H . 34490 1 85 . 1 . 1 7 7 GLU HA H 1 4.162 0.003 . . . . . . A 7 GLU HA . 34490 1 86 . 1 . 1 7 7 GLU HB2 H 1 1.956 0.000 . . . . . . A 7 GLU HB2 . 34490 1 87 . 1 . 1 7 7 GLU HB3 H 1 1.855 0.001 . . . . . . A 7 GLU HB3 . 34490 1 88 . 1 . 1 7 7 GLU HG2 H 1 2.205 0.000 . . . . . . A 7 GLU HG2 . 34490 1 89 . 1 . 1 7 7 GLU HG3 H 1 2.186 0.000 . . . . . . A 7 GLU HG3 . 34490 1 90 . 1 . 1 7 7 GLU C C 13 176.194 0.001 . . . . . . A 7 GLU C . 34490 1 91 . 1 . 1 7 7 GLU CA C 13 56.590 0.044 . . . . . . A 7 GLU CA . 34490 1 92 . 1 . 1 7 7 GLU CB C 13 30.323 0.034 . . . . . . A 7 GLU CB . 34490 1 93 . 1 . 1 7 7 GLU CG C 13 36.278 0.054 . . . . . . A 7 GLU CG . 34490 1 94 . 1 . 1 7 7 GLU N N 15 121.986 0.062 . . . . . . A 7 GLU N . 34490 1 95 . 1 . 1 8 8 ALA H H 1 8.274 0.002 . . . . . . A 8 ALA H . 34490 1 96 . 1 . 1 8 8 ALA HA H 1 4.252 0.003 . . . . . . A 8 ALA HA . 34490 1 97 . 1 . 1 8 8 ALA HB1 H 1 1.316 0.013 . . . . . . A 8 ALA HB1 . 34490 1 98 . 1 . 1 8 8 ALA HB2 H 1 1.316 0.013 . . . . . . A 8 ALA HB2 . 34490 1 99 . 1 . 1 8 8 ALA HB3 H 1 1.316 0.013 . . . . . . A 8 ALA HB3 . 34490 1 100 . 1 . 1 8 8 ALA C C 13 177.858 0.004 . . . . . . A 8 ALA C . 34490 1 101 . 1 . 1 8 8 ALA CA C 13 52.514 0.030 . . . . . . A 8 ALA CA . 34490 1 102 . 1 . 1 8 8 ALA CB C 13 19.123 0.028 . . . . . . A 8 ALA CB . 34490 1 103 . 1 . 1 8 8 ALA N N 15 125.328 0.062 . . . . . . A 8 ALA N . 34490 1 104 . 1 . 1 9 9 VAL H H 1 8.033 0.001 . . . . . . A 9 VAL H . 34490 1 105 . 1 . 1 9 9 VAL HA H 1 3.968 0.002 . . . . . . A 9 VAL HA . 34490 1 106 . 1 . 1 9 9 VAL HB H 1 1.762 0.458 . . . . . . A 9 VAL HB . 34490 1 107 . 1 . 1 9 9 VAL HG11 H 1 0.846 0.002 . . . . . . A 9 VAL HG11 . 34490 1 108 . 1 . 1 9 9 VAL HG12 H 1 0.846 0.002 . . . . . . A 9 VAL HG12 . 34490 1 109 . 1 . 1 9 9 VAL HG13 H 1 0.846 0.002 . . . . . . A 9 VAL HG13 . 34490 1 110 . 1 . 1 9 9 VAL HG21 H 1 0.869 0.001 . . . . . . A 9 VAL HG21 . 34490 1 111 . 1 . 1 9 9 VAL HG22 H 1 0.869 0.001 . . . . . . A 9 VAL HG22 . 34490 1 112 . 1 . 1 9 9 VAL HG23 H 1 0.869 0.001 . . . . . . A 9 VAL HG23 . 34490 1 113 . 1 . 1 9 9 VAL C C 13 176.106 0.008 . . . . . . A 9 VAL C . 34490 1 114 . 1 . 1 9 9 VAL CA C 13 62.646 0.029 . . . . . . A 9 VAL CA . 34490 1 115 . 1 . 1 9 9 VAL CB C 13 32.584 0.034 . . . . . . A 9 VAL CB . 34490 1 116 . 1 . 1 9 9 VAL CG1 C 13 21.047 0.108 . . . . . . A 9 VAL CG1 . 34490 1 117 . 1 . 1 9 9 VAL CG2 C 13 20.686 0.049 . . . . . . A 9 VAL CG2 . 34490 1 118 . 1 . 1 9 9 VAL N N 15 119.242 0.007 . . . . . . A 9 VAL N . 34490 1 119 . 1 . 1 10 10 ASN H H 1 8.374 0.002 . . . . . . A 10 ASN H . 34490 1 120 . 1 . 1 10 10 ASN HA H 1 4.649 0.003 . . . . . . A 10 ASN HA . 34490 1 121 . 1 . 1 10 10 ASN HB2 H 1 2.775 0.003 . . . . . . A 10 ASN HB2 . 34490 1 122 . 1 . 1 10 10 ASN HB3 H 1 2.717 0.000 . . . . . . A 10 ASN HB3 . 34490 1 123 . 1 . 1 10 10 ASN HD21 H 1 7.549 0.001 . . . . . . A 10 ASN HD21 . 34490 1 124 . 1 . 1 10 10 ASN HD22 H 1 6.857 0.001 . . . . . . A 10 ASN HD22 . 34490 1 125 . 1 . 1 10 10 ASN C C 13 175.047 0.003 . . . . . . A 10 ASN C . 34490 1 126 . 1 . 1 10 10 ASN CA C 13 53.244 0.105 . . . . . . A 10 ASN CA . 34490 1 127 . 1 . 1 10 10 ASN CB C 13 38.781 0.112 . . . . . . A 10 ASN CB . 34490 1 128 . 1 . 1 10 10 ASN CG C 13 176.873 0.009 . . . . . . A 10 ASN CG . 34490 1 129 . 1 . 1 10 10 ASN N N 15 121.921 0.016 . . . . . . A 10 ASN N . 34490 1 130 . 1 . 1 10 10 ASN ND2 N 15 112.260 0.026 . . . . . . A 10 ASN ND2 . 34490 1 131 . 1 . 1 11 11 ASP H H 1 8.217 0.001 . . . . . . A 11 ASP H . 34490 1 132 . 1 . 1 11 11 ASP HA H 1 4.513 0.002 . . . . . . A 11 ASP HA . 34490 1 133 . 1 . 1 11 11 ASP HB2 H 1 2.635 0.011 . . . . . . A 11 ASP HB2 . 34490 1 134 . 1 . 1 11 11 ASP HB3 H 1 2.613 0.000 . . . . . . A 11 ASP HB3 . 34490 1 135 . 1 . 1 11 11 ASP C C 13 176.953 0.004 . . . . . . A 11 ASP C . 34490 1 136 . 1 . 1 11 11 ASP CA C 13 54.818 0.060 . . . . . . A 11 ASP CA . 34490 1 137 . 1 . 1 11 11 ASP CB C 13 41.184 0.033 . . . . . . A 11 ASP CB . 34490 1 138 . 1 . 1 11 11 ASP N N 15 121.288 0.011 . . . . . . A 11 ASP N . 34490 1 139 . 1 . 1 12 12 LYS H H 1 8.286 0.003 . . . . . . A 12 LYS H . 34490 1 140 . 1 . 1 12 12 LYS HA H 1 4.109 0.001 . . . . . . A 12 LYS HA . 34490 1 141 . 1 . 1 12 12 LYS HB2 H 1 1.813 0.000 . . . . . . A 12 LYS HB2 . 34490 1 142 . 1 . 1 12 12 LYS HB3 H 1 1.763 0.000 . . . . . . A 12 LYS HB3 . 34490 1 143 . 1 . 1 12 12 LYS HG2 H 1 2.000 0.000 . . . . . . A 12 LYS HG2 . 34490 1 144 . 1 . 1 12 12 LYS HD2 H 1 2.417 0.000 . . . . . . A 12 LYS HD2 . 34490 1 145 . 1 . 1 12 12 LYS HD3 H 1 2.349 0.000 . . . . . . A 12 LYS HD3 . 34490 1 146 . 1 . 1 12 12 LYS HE2 H 1 2.811 0.102 . . . . . . A 12 LYS HE2 . 34490 1 147 . 1 . 1 12 12 LYS HE3 H 1 2.607 0.000 . . . . . . A 12 LYS HE3 . 34490 1 148 . 1 . 1 12 12 LYS C C 13 178.109 0.013 . . . . . . A 12 LYS C . 34490 1 149 . 1 . 1 12 12 LYS CA C 13 57.694 0.094 . . . . . . A 12 LYS CA . 34490 1 150 . 1 . 1 12 12 LYS CB C 13 32.390 0.055 . . . . . . A 12 LYS CB . 34490 1 151 . 1 . 1 12 12 LYS CG C 13 24.950 0.015 . . . . . . A 12 LYS CG . 34490 1 152 . 1 . 1 12 12 LYS CD C 13 30.926 0.078 . . . . . . A 12 LYS CD . 34490 1 153 . 1 . 1 12 12 LYS CE C 13 42.202 0.107 . . . . . . A 12 LYS CE . 34490 1 154 . 1 . 1 12 12 LYS N N 15 121.808 0.016 . . . . . . A 12 LYS N . 34490 1 155 . 1 . 1 13 13 GLY H H 1 8.380 0.003 . . . . . . A 13 GLY H . 34490 1 156 . 1 . 1 13 13 GLY HA2 H 1 3.854 0.000 . . . . . . A 13 GLY HA2 . 34490 1 157 . 1 . 1 13 13 GLY HA3 H 1 3.852 0.000 . . . . . . A 13 GLY HA3 . 34490 1 158 . 1 . 1 13 13 GLY C C 13 175.259 0.002 . . . . . . A 13 GLY C . 34490 1 159 . 1 . 1 13 13 GLY CA C 13 45.995 0.037 . . . . . . A 13 GLY CA . 34490 1 160 . 1 . 1 13 13 GLY N N 15 108.855 0.054 . . . . . . A 13 GLY N . 34490 1 161 . 1 . 1 14 14 LYS H H 1 7.956 0.003 . . . . . . A 14 LYS H . 34490 1 162 . 1 . 1 14 14 LYS HA H 1 4.019 0.003 . . . . . . A 14 LYS HA . 34490 1 163 . 1 . 1 14 14 LYS HB2 H 1 1.719 0.000 . . . . . . A 14 LYS HB2 . 34490 1 164 . 1 . 1 14 14 LYS HB3 H 1 1.662 0.000 . . . . . . A 14 LYS HB3 . 34490 1 165 . 1 . 1 14 14 LYS HG2 H 1 1.429 0.000 . . . . . . A 14 LYS HG2 . 34490 1 166 . 1 . 1 14 14 LYS HG3 H 1 1.530 0.000 . . . . . . A 14 LYS HG3 . 34490 1 167 . 1 . 1 14 14 LYS C C 13 177.166 0.003 . . . . . . A 14 LYS C . 34490 1 168 . 1 . 1 14 14 LYS CA C 13 57.835 0.069 . . . . . . A 14 LYS CA . 34490 1 169 . 1 . 1 14 14 LYS CB C 13 32.743 0.012 . . . . . . A 14 LYS CB . 34490 1 170 . 1 . 1 14 14 LYS CG C 13 25.189 0.034 . . . . . . A 14 LYS CG . 34490 1 171 . 1 . 1 14 14 LYS CD C 13 28.933 0.000 . . . . . . A 14 LYS CD . 34490 1 172 . 1 . 1 14 14 LYS N N 15 121.141 0.053 . . . . . . A 14 LYS N . 34490 1 173 . 1 . 1 15 15 ALA H H 1 7.866 0.048 . . . . . . A 15 ALA H . 34490 1 174 . 1 . 1 15 15 ALA HA H 1 3.792 0.003 . . . . . . A 15 ALA HA . 34490 1 175 . 1 . 1 15 15 ALA HB1 H 1 1.263 0.000 . . . . . . A 15 ALA HB1 . 34490 1 176 . 1 . 1 15 15 ALA HB2 H 1 1.263 0.000 . . . . . . A 15 ALA HB2 . 34490 1 177 . 1 . 1 15 15 ALA HB3 H 1 1.263 0.000 . . . . . . A 15 ALA HB3 . 34490 1 178 . 1 . 1 15 15 ALA C C 13 179.273 0.009 . . . . . . A 15 ALA C . 34490 1 179 . 1 . 1 15 15 ALA CA C 13 53.647 0.025 . . . . . . A 15 ALA CA . 34490 1 180 . 1 . 1 15 15 ALA CB C 13 18.345 0.037 . . . . . . A 15 ALA CB . 34490 1 181 . 1 . 1 15 15 ALA N N 15 121.951 0.047 . . . . . . A 15 ALA N . 34490 1 182 . 1 . 1 16 16 ALA H H 1 8.031 0.004 . . . . . . A 16 ALA H . 34490 1 183 . 1 . 1 16 16 ALA HA H 1 4.010 0.002 . . . . . . A 16 ALA HA . 34490 1 184 . 1 . 1 16 16 ALA HB1 H 1 1.387 0.006 . . . . . . A 16 ALA HB1 . 34490 1 185 . 1 . 1 16 16 ALA HB2 H 1 1.387 0.006 . . . . . . A 16 ALA HB2 . 34490 1 186 . 1 . 1 16 16 ALA HB3 H 1 1.387 0.006 . . . . . . A 16 ALA HB3 . 34490 1 187 . 1 . 1 16 16 ALA C C 13 179.957 0.000 . . . . . . A 16 ALA C . 34490 1 188 . 1 . 1 16 16 ALA CA C 13 55.125 0.093 . . . . . . A 16 ALA CA . 34490 1 189 . 1 . 1 16 16 ALA CB C 13 18.349 0.051 . . . . . . A 16 ALA CB . 34490 1 190 . 1 . 1 16 16 ALA N N 15 122.546 0.023 . . . . . . A 16 ALA N . 34490 1 191 . 1 . 1 17 17 VAL H H 1 7.900 0.001 . . . . . . A 17 VAL H . 34490 1 192 . 1 . 1 17 17 VAL HA H 1 3.722 0.002 . . . . . . A 17 VAL HA . 34490 1 193 . 1 . 1 17 17 VAL HB H 1 2.181 0.001 . . . . . . A 17 VAL HB . 34490 1 194 . 1 . 1 17 17 VAL HG11 H 1 1.065 0.000 . . . . . . A 17 VAL HG11 . 34490 1 195 . 1 . 1 17 17 VAL HG12 H 1 1.065 0.000 . . . . . . A 17 VAL HG12 . 34490 1 196 . 1 . 1 17 17 VAL HG13 H 1 1.065 0.000 . . . . . . A 17 VAL HG13 . 34490 1 197 . 1 . 1 17 17 VAL HG21 H 1 0.887 0.000 . . . . . . A 17 VAL HG21 . 34490 1 198 . 1 . 1 17 17 VAL HG22 H 1 0.887 0.000 . . . . . . A 17 VAL HG22 . 34490 1 199 . 1 . 1 17 17 VAL HG23 H 1 0.887 0.000 . . . . . . A 17 VAL HG23 . 34490 1 200 . 1 . 1 17 17 VAL C C 13 176.833 0.000 . . . . . . A 17 VAL C . 34490 1 201 . 1 . 1 17 17 VAL CA C 13 65.485 0.042 . . . . . . A 17 VAL CA . 34490 1 202 . 1 . 1 17 17 VAL CB C 13 31.431 0.053 . . . . . . A 17 VAL CB . 34490 1 203 . 1 . 1 17 17 VAL CG1 C 13 23.262 0.023 . . . . . . A 17 VAL CG1 . 34490 1 204 . 1 . 1 17 17 VAL CG2 C 13 21.256 0.053 . . . . . . A 17 VAL CG2 . 34490 1 205 . 1 . 1 17 17 VAL N N 15 117.581 0.014 . . . . . . A 17 VAL N . 34490 1 206 . 1 . 1 18 18 VAL H H 1 7.386 0.005 . . . . . . A 18 VAL H . 34490 1 207 . 1 . 1 18 18 VAL HA H 1 3.665 0.004 . . . . . . A 18 VAL HA . 34490 1 208 . 1 . 1 18 18 VAL HB H 1 1.967 0.003 . . . . . . A 18 VAL HB . 34490 1 209 . 1 . 1 18 18 VAL HG11 H 1 0.514 0.310 . . . . . . A 18 VAL HG11 . 34490 1 210 . 1 . 1 18 18 VAL HG12 H 1 0.514 0.310 . . . . . . A 18 VAL HG12 . 34490 1 211 . 1 . 1 18 18 VAL HG13 H 1 0.514 0.310 . . . . . . A 18 VAL HG13 . 34490 1 212 . 1 . 1 18 18 VAL HG21 H 1 0.901 0.007 . . . . . . A 18 VAL HG21 . 34490 1 213 . 1 . 1 18 18 VAL HG22 H 1 0.901 0.007 . . . . . . A 18 VAL HG22 . 34490 1 214 . 1 . 1 18 18 VAL HG23 H 1 0.901 0.007 . . . . . . A 18 VAL HG23 . 34490 1 215 . 1 . 1 18 18 VAL C C 13 177.239 0.000 . . . . . . A 18 VAL C . 34490 1 216 . 1 . 1 18 18 VAL CA C 13 67.087 0.045 . . . . . . A 18 VAL CA . 34490 1 217 . 1 . 1 18 18 VAL CB C 13 31.245 0.041 . . . . . . A 18 VAL CB . 34490 1 218 . 1 . 1 18 18 VAL CG1 C 13 22.362 0.282 . . . . . . A 18 VAL CG1 . 34490 1 219 . 1 . 1 18 18 VAL CG2 C 13 21.332 0.034 . . . . . . A 18 VAL CG2 . 34490 1 220 . 1 . 1 18 18 VAL N N 15 120.401 0.016 . . . . . . A 18 VAL N . 34490 1 221 . 1 . 1 19 19 LYS H H 1 7.459 0.003 . . . . . . A 19 LYS H . 34490 1 222 . 1 . 1 19 19 LYS HA H 1 4.093 0.002 . . . . . . A 19 LYS HA . 34490 1 223 . 1 . 1 19 19 LYS HB2 H 1 1.990 0.000 . . . . . . A 19 LYS HB2 . 34490 1 224 . 1 . 1 19 19 LYS HB3 H 1 1.895 0.000 . . . . . . A 19 LYS HB3 . 34490 1 225 . 1 . 1 19 19 LYS HG2 H 1 1.526 0.026 . . . . . . A 19 LYS HG2 . 34490 1 226 . 1 . 1 19 19 LYS HG3 H 1 1.389 0.000 . . . . . . A 19 LYS HG3 . 34490 1 227 . 1 . 1 19 19 LYS HE2 H 1 2.918 0.015 . . . . . . A 19 LYS HE2 . 34490 1 228 . 1 . 1 19 19 LYS C C 13 180.133 0.005 . . . . . . A 19 LYS C . 34490 1 229 . 1 . 1 19 19 LYS CA C 13 59.114 0.087 . . . . . . A 19 LYS CA . 34490 1 230 . 1 . 1 19 19 LYS CB C 13 32.342 0.232 . . . . . . A 19 LYS CB . 34490 1 231 . 1 . 1 19 19 LYS CG C 13 25.196 0.039 . . . . . . A 19 LYS CG . 34490 1 232 . 1 . 1 19 19 LYS CD C 13 29.405 0.000 . . . . . . A 19 LYS CD . 34490 1 233 . 1 . 1 19 19 LYS CE C 13 41.953 0.094 . . . . . . A 19 LYS CE . 34490 1 234 . 1 . 1 19 19 LYS N N 15 117.615 0.019 . . . . . . A 19 LYS N . 34490 1 235 . 1 . 1 20 20 VAL H H 1 7.814 0.010 . . . . . . A 20 VAL H . 34490 1 236 . 1 . 1 20 20 VAL HA H 1 3.700 0.001 . . . . . . A 20 VAL HA . 34490 1 237 . 1 . 1 20 20 VAL HB H 1 2.163 0.000 . . . . . . A 20 VAL HB . 34490 1 238 . 1 . 1 20 20 VAL HG11 H 1 0.978 0.000 . . . . . . A 20 VAL HG11 . 34490 1 239 . 1 . 1 20 20 VAL HG12 H 1 0.978 0.000 . . . . . . A 20 VAL HG12 . 34490 1 240 . 1 . 1 20 20 VAL HG13 H 1 0.978 0.000 . . . . . . A 20 VAL HG13 . 34490 1 241 . 1 . 1 20 20 VAL HG21 H 1 0.870 0.000 . . . . . . A 20 VAL HG21 . 34490 1 242 . 1 . 1 20 20 VAL HG22 H 1 0.870 0.000 . . . . . . A 20 VAL HG22 . 34490 1 243 . 1 . 1 20 20 VAL HG23 H 1 0.870 0.000 . . . . . . A 20 VAL HG23 . 34490 1 244 . 1 . 1 20 20 VAL CA C 13 66.573 0.048 . . . . . . A 20 VAL CA . 34490 1 245 . 1 . 1 20 20 VAL CB C 13 31.878 0.050 . . . . . . A 20 VAL CB . 34490 1 246 . 1 . 1 20 20 VAL CG1 C 13 22.986 0.041 . . . . . . A 20 VAL CG1 . 34490 1 247 . 1 . 1 20 20 VAL CG2 C 13 20.653 0.032 . . . . . . A 20 VAL CG2 . 34490 1 248 . 1 . 1 20 20 VAL N N 15 120.756 0.034 . . . . . . A 20 VAL N . 34490 1 249 . 1 . 1 21 21 VAL H H 1 8.070 0.000 . . . . . . A 21 VAL H . 34490 1 250 . 1 . 1 21 21 VAL HA H 1 3.143 0.002 . . . . . . A 21 VAL HA . 34490 1 251 . 1 . 1 21 21 VAL HB H 1 1.827 0.002 . . . . . . A 21 VAL HB . 34490 1 252 . 1 . 1 21 21 VAL HG11 H 1 0.762 0.004 . . . . . . A 21 VAL HG11 . 34490 1 253 . 1 . 1 21 21 VAL HG12 H 1 0.762 0.004 . . . . . . A 21 VAL HG12 . 34490 1 254 . 1 . 1 21 21 VAL HG13 H 1 0.762 0.004 . . . . . . A 21 VAL HG13 . 34490 1 255 . 1 . 1 21 21 VAL HG21 H 1 -0.118 0.001 . . . . . . A 21 VAL HG21 . 34490 1 256 . 1 . 1 21 21 VAL HG22 H 1 -0.118 0.001 . . . . . . A 21 VAL HG22 . 34490 1 257 . 1 . 1 21 21 VAL HG23 H 1 -0.118 0.001 . . . . . . A 21 VAL HG23 . 34490 1 258 . 1 . 1 21 21 VAL C C 13 177.825 0.000 . . . . . . A 21 VAL C . 34490 1 259 . 1 . 1 21 21 VAL CA C 13 67.236 0.026 . . . . . . A 21 VAL CA . 34490 1 260 . 1 . 1 21 21 VAL CB C 13 31.530 0.037 . . . . . . A 21 VAL CB . 34490 1 261 . 1 . 1 21 21 VAL CG1 C 13 22.944 0.032 . . . . . . A 21 VAL CG1 . 34490 1 262 . 1 . 1 21 21 VAL CG2 C 13 20.418 0.039 . . . . . . A 21 VAL CG2 . 34490 1 263 . 1 . 1 21 21 VAL N N 15 118.720 0.000 . . . . . . A 21 VAL N . 34490 1 264 . 1 . 1 22 22 GLU H H 1 8.455 0.011 . . . . . . A 22 GLU H . 34490 1 265 . 1 . 1 22 22 GLU HA H 1 3.650 0.003 . . . . . . A 22 GLU HA . 34490 1 266 . 1 . 1 22 22 GLU HB2 H 1 1.986 0.000 . . . . . . A 22 GLU HB2 . 34490 1 267 . 1 . 1 22 22 GLU HB3 H 1 1.972 0.000 . . . . . . A 22 GLU HB3 . 34490 1 268 . 1 . 1 22 22 GLU HG2 H 1 2.132 0.000 . . . . . . A 22 GLU HG2 . 34490 1 269 . 1 . 1 22 22 GLU HG3 H 1 2.125 0.000 . . . . . . A 22 GLU HG3 . 34490 1 270 . 1 . 1 22 22 GLU C C 13 179.681 0.000 . . . . . . A 22 GLU C . 34490 1 271 . 1 . 1 22 22 GLU CA C 13 60.295 0.036 . . . . . . A 22 GLU CA . 34490 1 272 . 1 . 1 22 22 GLU CB C 13 28.547 0.047 . . . . . . A 22 GLU CB . 34490 1 273 . 1 . 1 22 22 GLU CG C 13 38.672 0.013 . . . . . . A 22 GLU CG . 34490 1 274 . 1 . 1 22 22 GLU N N 15 116.893 0.075 . . . . . . A 22 GLU N . 34490 1 275 . 1 . 1 23 23 SER H H 1 8.296 0.004 . . . . . . A 23 SER H . 34490 1 276 . 1 . 1 23 23 SER HA H 1 4.269 0.003 . . . . . . A 23 SER HA . 34490 1 277 . 1 . 1 23 23 SER HB2 H 1 3.995 0.000 . . . . . . A 23 SER HB2 . 34490 1 278 . 1 . 1 23 23 SER HB3 H 1 3.948 0.000 . . . . . . A 23 SER HB3 . 34490 1 279 . 1 . 1 23 23 SER C C 13 177.536 0.000 . . . . . . A 23 SER C . 34490 1 280 . 1 . 1 23 23 SER CA C 13 62.143 0.096 . . . . . . A 23 SER CA . 34490 1 281 . 1 . 1 23 23 SER CB C 13 63.168 0.402 . . . . . . A 23 SER CB . 34490 1 282 . 1 . 1 23 23 SER N N 15 116.147 0.055 . . . . . . A 23 SER N . 34490 1 283 . 1 . 1 24 24 GLN H H 1 8.112 0.002 . . . . . . A 24 GLN H . 34490 1 284 . 1 . 1 24 24 GLN HA H 1 4.135 0.001 . . . . . . A 24 GLN HA . 34490 1 285 . 1 . 1 24 24 GLN HB2 H 1 1.905 0.002 . . . . . . A 24 GLN HB2 . 34490 1 286 . 1 . 1 24 24 GLN HB3 H 1 1.906 0.000 . . . . . . A 24 GLN HB3 . 34490 1 287 . 1 . 1 24 24 GLN HG2 H 1 2.643 0.000 . . . . . . A 24 GLN HG2 . 34490 1 288 . 1 . 1 24 24 GLN HG3 H 1 2.296 0.002 . . . . . . A 24 GLN HG3 . 34490 1 289 . 1 . 1 24 24 GLN HE21 H 1 7.458 0.000 . . . . . . A 24 GLN HE21 . 34490 1 290 . 1 . 1 24 24 GLN HE22 H 1 6.837 0.056 . . . . . . A 24 GLN HE22 . 34490 1 291 . 1 . 1 24 24 GLN C C 13 178.926 0.002 . . . . . . A 24 GLN C . 34490 1 292 . 1 . 1 24 24 GLN CA C 13 58.105 0.048 . . . . . . A 24 GLN CA . 34490 1 293 . 1 . 1 24 24 GLN CB C 13 27.757 0.027 . . . . . . A 24 GLN CB . 34490 1 294 . 1 . 1 24 24 GLN CG C 13 32.818 0.087 . . . . . . A 24 GLN CG . 34490 1 295 . 1 . 1 24 24 GLN N N 15 120.850 0.017 . . . . . . A 24 GLN N . 34490 1 296 . 1 . 1 24 24 GLN NE2 N 15 112.236 0.455 . . . . . . A 24 GLN NE2 . 34490 1 297 . 1 . 1 25 25 ALA H H 1 8.494 0.002 . . . . . . A 25 ALA H . 34490 1 298 . 1 . 1 25 25 ALA HA H 1 3.805 0.000 . . . . . . A 25 ALA HA . 34490 1 299 . 1 . 1 25 25 ALA HB1 H 1 1.333 0.004 . . . . . . A 25 ALA HB1 . 34490 1 300 . 1 . 1 25 25 ALA HB2 H 1 1.333 0.004 . . . . . . A 25 ALA HB2 . 34490 1 301 . 1 . 1 25 25 ALA HB3 H 1 1.333 0.004 . . . . . . A 25 ALA HB3 . 34490 1 302 . 1 . 1 25 25 ALA C C 13 178.780 0.004 . . . . . . A 25 ALA C . 34490 1 303 . 1 . 1 25 25 ALA CA C 13 55.664 0.033 . . . . . . A 25 ALA CA . 34490 1 304 . 1 . 1 25 25 ALA CB C 13 19.103 0.032 . . . . . . A 25 ALA CB . 34490 1 305 . 1 . 1 25 25 ALA N N 15 122.899 0.037 . . . . . . A 25 ALA N . 34490 1 306 . 1 . 1 26 26 GLU H H 1 7.678 0.001 . . . . . . A 26 GLU H . 34490 1 307 . 1 . 1 26 26 GLU HA H 1 4.015 0.001 . . . . . . A 26 GLU HA . 34490 1 308 . 1 . 1 26 26 GLU HB2 H 1 2.130 0.009 . . . . . . A 26 GLU HB2 . 34490 1 309 . 1 . 1 26 26 GLU HB3 H 1 2.055 0.006 . . . . . . A 26 GLU HB3 . 34490 1 310 . 1 . 1 26 26 GLU HG2 H 1 2.388 0.000 . . . . . . A 26 GLU HG2 . 34490 1 311 . 1 . 1 26 26 GLU HG3 H 1 2.159 0.001 . . . . . . A 26 GLU HG3 . 34490 1 312 . 1 . 1 26 26 GLU C C 13 179.226 0.004 . . . . . . A 26 GLU C . 34490 1 313 . 1 . 1 26 26 GLU CA C 13 59.540 0.044 . . . . . . A 26 GLU CA . 34490 1 314 . 1 . 1 26 26 GLU CB C 13 29.665 0.041 . . . . . . A 26 GLU CB . 34490 1 315 . 1 . 1 26 26 GLU CG C 13 36.373 0.052 . . . . . . A 26 GLU CG . 34490 1 316 . 1 . 1 26 26 GLU N N 15 118.812 0.046 . . . . . . A 26 GLU N . 34490 1 317 . 1 . 1 27 27 LEU H H 1 7.659 0.002 . . . . . . A 27 LEU H . 34490 1 318 . 1 . 1 27 27 LEU HA H 1 4.022 0.000 . . . . . . A 27 LEU HA . 34490 1 319 . 1 . 1 27 27 LEU HB2 H 1 1.661 0.000 . . . . . . A 27 LEU HB2 . 34490 1 320 . 1 . 1 27 27 LEU HB3 H 1 1.565 0.000 . . . . . . A 27 LEU HB3 . 34490 1 321 . 1 . 1 27 27 LEU HG H 1 1.643 0.014 . . . . . . A 27 LEU HG . 34490 1 322 . 1 . 1 27 27 LEU HD11 H 1 0.851 0.001 . . . . . . A 27 LEU HD11 . 34490 1 323 . 1 . 1 27 27 LEU HD12 H 1 0.851 0.001 . . . . . . A 27 LEU HD12 . 34490 1 324 . 1 . 1 27 27 LEU HD13 H 1 0.851 0.001 . . . . . . A 27 LEU HD13 . 34490 1 325 . 1 . 1 27 27 LEU HD21 H 1 0.851 0.000 . . . . . . A 27 LEU HD21 . 34490 1 326 . 1 . 1 27 27 LEU HD22 H 1 0.851 0.000 . . . . . . A 27 LEU HD22 . 34490 1 327 . 1 . 1 27 27 LEU HD23 H 1 0.851 0.000 . . . . . . A 27 LEU HD23 . 34490 1 328 . 1 . 1 27 27 LEU C C 13 178.425 0.005 . . . . . . A 27 LEU C . 34490 1 329 . 1 . 1 27 27 LEU CA C 13 58.020 0.082 . . . . . . A 27 LEU CA . 34490 1 330 . 1 . 1 27 27 LEU CB C 13 41.815 0.052 . . . . . . A 27 LEU CB . 34490 1 331 . 1 . 1 27 27 LEU CG C 13 26.997 0.116 . . . . . . A 27 LEU CG . 34490 1 332 . 1 . 1 27 27 LEU CD1 C 13 24.467 0.126 . . . . . . A 27 LEU CD1 . 34490 1 333 . 1 . 1 27 27 LEU CD2 C 13 24.594 0.056 . . . . . . A 27 LEU CD2 . 34490 1 334 . 1 . 1 27 27 LEU N N 15 119.359 0.057 . . . . . . A 27 LEU N . 34490 1 335 . 1 . 1 28 28 TYR H H 1 8.494 0.005 . . . . . . A 28 TYR H . 34490 1 336 . 1 . 1 28 28 TYR HA H 1 3.774 0.003 . . . . . . A 28 TYR HA . 34490 1 337 . 1 . 1 28 28 TYR HB2 H 1 3.210 0.001 . . . . . . A 28 TYR HB2 . 34490 1 338 . 1 . 1 28 28 TYR HB3 H 1 2.756 0.000 . . . . . . A 28 TYR HB3 . 34490 1 339 . 1 . 1 28 28 TYR HD1 H 1 6.779 0.000 . . . . . . A 28 TYR HD1 . 34490 1 340 . 1 . 1 28 28 TYR HE1 H 1 6.460 0.000 . . . . . . A 28 TYR HE1 . 34490 1 341 . 1 . 1 28 28 TYR HE2 H 1 6.931 0.000 . . . . . . A 28 TYR HE2 . 34490 1 342 . 1 . 1 28 28 TYR C C 13 177.008 0.001 . . . . . . A 28 TYR C . 34490 1 343 . 1 . 1 28 28 TYR CA C 13 62.085 0.012 . . . . . . A 28 TYR CA . 34490 1 344 . 1 . 1 28 28 TYR CB C 13 39.697 0.052 . . . . . . A 28 TYR CB . 34490 1 345 . 1 . 1 28 28 TYR CD1 C 13 132.768 0.000 . . . . . . A 28 TYR CD1 . 34490 1 346 . 1 . 1 28 28 TYR CE1 C 13 117.917 0.000 . . . . . . A 28 TYR CE1 . 34490 1 347 . 1 . 1 28 28 TYR CE2 C 13 119.635 0.000 . . . . . . A 28 TYR CE2 . 34490 1 348 . 1 . 1 28 28 TYR N N 15 120.008 0.068 . . . . . . A 28 TYR N . 34490 1 349 . 1 . 1 29 29 SER H H 1 8.298 0.003 . . . . . . A 29 SER H . 34490 1 350 . 1 . 1 29 29 SER HA H 1 4.569 0.006 . . . . . . A 29 SER HA . 34490 1 351 . 1 . 1 29 29 SER HB2 H 1 3.982 0.015 . . . . . . A 29 SER HB2 . 34490 1 352 . 1 . 1 29 29 SER HB3 H 1 3.949 0.002 . . . . . . A 29 SER HB3 . 34490 1 353 . 1 . 1 29 29 SER C C 13 177.583 0.000 . . . . . . A 29 SER C . 34490 1 354 . 1 . 1 29 29 SER CA C 13 62.206 0.033 . . . . . . A 29 SER CA . 34490 1 355 . 1 . 1 29 29 SER CB C 13 63.422 0.119 . . . . . . A 29 SER CB . 34490 1 356 . 1 . 1 29 29 SER N N 15 114.585 0.095 . . . . . . A 29 SER N . 34490 1 357 . 1 . 1 30 30 LEU H H 1 7.699 0.084 . . . . . . A 30 LEU H . 34490 1 358 . 1 . 1 30 30 LEU HA H 1 4.106 0.003 . . . . . . A 30 LEU HA . 34490 1 359 . 1 . 1 30 30 LEU HB2 H 1 1.793 0.002 . . . . . . A 30 LEU HB2 . 34490 1 360 . 1 . 1 30 30 LEU HB3 H 1 1.401 0.243 . . . . . . A 30 LEU HB3 . 34490 1 361 . 1 . 1 30 30 LEU HG H 1 1.690 0.001 . . . . . . A 30 LEU HG . 34490 1 362 . 1 . 1 30 30 LEU HD11 H 1 0.814 0.000 . . . . . . A 30 LEU HD11 . 34490 1 363 . 1 . 1 30 30 LEU HD12 H 1 0.814 0.000 . . . . . . A 30 LEU HD12 . 34490 1 364 . 1 . 1 30 30 LEU HD13 H 1 0.814 0.000 . . . . . . A 30 LEU HD13 . 34490 1 365 . 1 . 1 30 30 LEU HD21 H 1 0.821 0.001 . . . . . . A 30 LEU HD21 . 34490 1 366 . 1 . 1 30 30 LEU HD22 H 1 0.821 0.001 . . . . . . A 30 LEU HD22 . 34490 1 367 . 1 . 1 30 30 LEU HD23 H 1 0.821 0.001 . . . . . . A 30 LEU HD23 . 34490 1 368 . 1 . 1 30 30 LEU C C 13 178.741 0.007 . . . . . . A 30 LEU C . 34490 1 369 . 1 . 1 30 30 LEU CA C 13 57.479 0.067 . . . . . . A 30 LEU CA . 34490 1 370 . 1 . 1 30 30 LEU CB C 13 42.389 0.079 . . . . . . A 30 LEU CB . 34490 1 371 . 1 . 1 30 30 LEU CG C 13 26.878 0.035 . . . . . . A 30 LEU CG . 34490 1 372 . 1 . 1 30 30 LEU CD1 C 13 23.808 0.047 . . . . . . A 30 LEU CD1 . 34490 1 373 . 1 . 1 30 30 LEU CD2 C 13 25.144 0.057 . . . . . . A 30 LEU CD2 . 34490 1 374 . 1 . 1 30 30 LEU N N 15 122.061 0.009 . . . . . . A 30 LEU N . 34490 1 375 . 1 . 1 31 31 GLU H H 1 7.969 0.002 . . . . . . A 31 GLU H . 34490 1 376 . 1 . 1 31 31 GLU HA H 1 3.960 0.002 . . . . . . A 31 GLU HA . 34490 1 377 . 1 . 1 31 31 GLU HB2 H 1 1.931 0.000 . . . . . . A 31 GLU HB2 . 34490 1 378 . 1 . 1 31 31 GLU HB3 H 1 1.830 0.000 . . . . . . A 31 GLU HB3 . 34490 1 379 . 1 . 1 31 31 GLU HG2 H 1 2.330 0.050 . . . . . . A 31 GLU HG2 . 34490 1 380 . 1 . 1 31 31 GLU HG3 H 1 1.968 0.003 . . . . . . A 31 GLU HG3 . 34490 1 381 . 1 . 1 31 31 GLU C C 13 178.645 0.000 . . . . . . A 31 GLU C . 34490 1 382 . 1 . 1 31 31 GLU CA C 13 58.858 0.029 . . . . . . A 31 GLU CA . 34490 1 383 . 1 . 1 31 31 GLU CB C 13 30.769 0.033 . . . . . . A 31 GLU CB . 34490 1 384 . 1 . 1 31 31 GLU CG C 13 36.650 0.059 . . . . . . A 31 GLU CG . 34490 1 385 . 1 . 1 31 31 GLU N N 15 117.649 0.019 . . . . . . A 31 GLU N . 34490 1 386 . 1 . 1 32 32 LYS H H 1 8.329 0.003 . . . . . . A 32 LYS H . 34490 1 387 . 1 . 1 32 32 LYS HA H 1 4.116 0.003 . . . . . . A 32 LYS HA . 34490 1 388 . 1 . 1 32 32 LYS HB2 H 1 1.464 0.001 . . . . . . A 32 LYS HB2 . 34490 1 389 . 1 . 1 32 32 LYS HB3 H 1 1.020 0.002 . . . . . . A 32 LYS HB3 . 34490 1 390 . 1 . 1 32 32 LYS HG2 H 1 0.777 0.003 . . . . . . A 32 LYS HG2 . 34490 1 391 . 1 . 1 32 32 LYS HG3 H 1 0.535 0.001 . . . . . . A 32 LYS HG3 . 34490 1 392 . 1 . 1 32 32 LYS HD2 H 1 1.199 0.000 . . . . . . A 32 LYS HD2 . 34490 1 393 . 1 . 1 32 32 LYS HD3 H 1 1.124 0.001 . . . . . . A 32 LYS HD3 . 34490 1 394 . 1 . 1 32 32 LYS HE2 H 1 2.712 0.003 . . . . . . A 32 LYS HE2 . 34490 1 395 . 1 . 1 32 32 LYS HE3 H 1 2.640 0.047 . . . . . . A 32 LYS HE3 . 34490 1 396 . 1 . 1 32 32 LYS C C 13 176.583 0.009 . . . . . . A 32 LYS C . 34490 1 397 . 1 . 1 32 32 LYS CA C 13 55.175 0.028 . . . . . . A 32 LYS CA . 34490 1 398 . 1 . 1 32 32 LYS CB C 13 32.599 0.372 . . . . . . A 32 LYS CB . 34490 1 399 . 1 . 1 32 32 LYS CG C 13 24.366 0.063 . . . . . . A 32 LYS CG . 34490 1 400 . 1 . 1 32 32 LYS CD C 13 27.873 0.060 . . . . . . A 32 LYS CD . 34490 1 401 . 1 . 1 32 32 LYS CE C 13 42.184 0.016 . . . . . . A 32 LYS CE . 34490 1 402 . 1 . 1 32 32 LYS N N 15 114.176 0.059 . . . . . . A 32 LYS N . 34490 1 403 . 1 . 1 33 33 ASN H H 1 7.961 0.002 . . . . . . A 33 ASN H . 34490 1 404 . 1 . 1 33 33 ASN HA H 1 4.372 0.002 . . . . . . A 33 ASN HA . 34490 1 405 . 1 . 1 33 33 ASN HB2 H 1 3.007 0.003 . . . . . . A 33 ASN HB2 . 34490 1 406 . 1 . 1 33 33 ASN HB3 H 1 2.599 0.004 . . . . . . A 33 ASN HB3 . 34490 1 407 . 1 . 1 33 33 ASN HD21 H 1 7.411 0.000 . . . . . . A 33 ASN HD21 . 34490 1 408 . 1 . 1 33 33 ASN HD22 H 1 6.668 0.000 . . . . . . A 33 ASN HD22 . 34490 1 409 . 1 . 1 33 33 ASN C C 13 173.485 0.007 . . . . . . A 33 ASN C . 34490 1 410 . 1 . 1 33 33 ASN CA C 13 54.148 0.044 . . . . . . A 33 ASN CA . 34490 1 411 . 1 . 1 33 33 ASN CB C 13 37.177 0.051 . . . . . . A 33 ASN CB . 34490 1 412 . 1 . 1 33 33 ASN CG C 13 178.425 0.010 . . . . . . A 33 ASN CG . 34490 1 413 . 1 . 1 33 33 ASN N N 15 116.510 0.014 . . . . . . A 33 ASN N . 34490 1 414 . 1 . 1 33 33 ASN ND2 N 15 111.665 0.025 . . . . . . A 33 ASN ND2 . 34490 1 415 . 1 . 1 34 34 GLU H H 1 6.967 0.002 . . . . . . A 34 GLU H . 34490 1 416 . 1 . 1 34 34 GLU HA H 1 4.531 0.012 . . . . . . A 34 GLU HA . 34490 1 417 . 1 . 1 34 34 GLU HB2 H 1 1.982 0.001 . . . . . . A 34 GLU HB2 . 34490 1 418 . 1 . 1 34 34 GLU HB3 H 1 1.784 0.003 . . . . . . A 34 GLU HB3 . 34490 1 419 . 1 . 1 34 34 GLU HG2 H 1 2.107 0.026 . . . . . . A 34 GLU HG2 . 34490 1 420 . 1 . 1 34 34 GLU HG3 H 1 2.016 0.040 . . . . . . A 34 GLU HG3 . 34490 1 421 . 1 . 1 34 34 GLU C C 13 174.530 0.001 . . . . . . A 34 GLU C . 34490 1 422 . 1 . 1 34 34 GLU CA C 13 54.191 0.077 . . . . . . A 34 GLU CA . 34490 1 423 . 1 . 1 34 34 GLU CB C 13 33.200 0.083 . . . . . . A 34 GLU CB . 34490 1 424 . 1 . 1 34 34 GLU CG C 13 35.318 0.048 . . . . . . A 34 GLU CG . 34490 1 425 . 1 . 1 34 34 GLU N N 15 112.337 0.048 . . . . . . A 34 GLU N . 34490 1 426 . 1 . 1 35 35 ASP H H 1 8.465 0.003 . . . . . . A 35 ASP H . 34490 1 427 . 1 . 1 35 35 ASP HA H 1 4.462 0.002 . . . . . . A 35 ASP HA . 34490 1 428 . 1 . 1 35 35 ASP HB2 H 1 2.574 0.000 . . . . . . A 35 ASP HB2 . 34490 1 429 . 1 . 1 35 35 ASP HB3 H 1 2.460 0.002 . . . . . . A 35 ASP HB3 . 34490 1 430 . 1 . 1 35 35 ASP C C 13 176.163 0.002 . . . . . . A 35 ASP C . 34490 1 431 . 1 . 1 35 35 ASP CA C 13 54.763 0.183 . . . . . . A 35 ASP CA . 34490 1 432 . 1 . 1 35 35 ASP CB C 13 40.818 0.013 . . . . . . A 35 ASP CB . 34490 1 433 . 1 . 1 35 35 ASP N N 15 119.819 0.049 . . . . . . A 35 ASP N . 34490 1 434 . 1 . 1 36 36 ALA H H 1 8.691 0.001 . . . . . . A 36 ALA H . 34490 1 435 . 1 . 1 36 36 ALA HA H 1 3.926 0.001 . . . . . . A 36 ALA HA . 34490 1 436 . 1 . 1 36 36 ALA HB1 H 1 1.220 0.003 . . . . . . A 36 ALA HB1 . 34490 1 437 . 1 . 1 36 36 ALA HB2 H 1 1.220 0.003 . . . . . . A 36 ALA HB2 . 34490 1 438 . 1 . 1 36 36 ALA HB3 H 1 1.220 0.003 . . . . . . A 36 ALA HB3 . 34490 1 439 . 1 . 1 36 36 ALA C C 13 175.677 0.000 . . . . . . A 36 ALA C . 34490 1 440 . 1 . 1 36 36 ALA CA C 13 51.460 0.044 . . . . . . A 36 ALA CA . 34490 1 441 . 1 . 1 36 36 ALA CB C 13 20.665 0.042 . . . . . . A 36 ALA CB . 34490 1 442 . 1 . 1 36 36 ALA N N 15 122.796 0.043 . . . . . . A 36 ALA N . 34490 1 443 . 1 . 1 37 37 SER H H 1 6.440 0.001 . . . . . . A 37 SER H . 34490 1 444 . 1 . 1 37 37 SER HA H 1 4.394 0.342 . . . . . . A 37 SER HA . 34490 1 445 . 1 . 1 37 37 SER HB2 H 1 4.129 0.004 . . . . . . A 37 SER HB2 . 34490 1 446 . 1 . 1 37 37 SER HB3 H 1 3.636 0.002 . . . . . . A 37 SER HB3 . 34490 1 447 . 1 . 1 37 37 SER C C 13 174.406 0.000 . . . . . . A 37 SER C . 34490 1 448 . 1 . 1 37 37 SER CA C 13 55.704 0.018 . . . . . . A 37 SER CA . 34490 1 449 . 1 . 1 37 37 SER CB C 13 66.443 0.034 . . . . . . A 37 SER CB . 34490 1 450 . 1 . 1 37 37 SER N N 15 111.657 0.045 . . . . . . A 37 SER N . 34490 1 451 . 1 . 1 38 38 LEU H H 1 9.495 0.002 . . . . . . A 38 LEU H . 34490 1 452 . 1 . 1 38 38 LEU HA H 1 3.698 0.003 . . . . . . A 38 LEU HA . 34490 1 453 . 1 . 1 38 38 LEU HB2 H 1 2.125 0.004 . . . . . . A 38 LEU HB2 . 34490 1 454 . 1 . 1 38 38 LEU HB3 H 1 1.266 0.004 . . . . . . A 38 LEU HB3 . 34490 1 455 . 1 . 1 38 38 LEU HG H 1 1.022 0.000 . . . . . . A 38 LEU HG . 34490 1 456 . 1 . 1 38 38 LEU HD11 H 1 1.022 0.000 . . . . . . A 38 LEU HD11 . 34490 1 457 . 1 . 1 38 38 LEU HD12 H 1 1.022 0.000 . . . . . . A 38 LEU HD12 . 34490 1 458 . 1 . 1 38 38 LEU HD13 H 1 1.022 0.000 . . . . . . A 38 LEU HD13 . 34490 1 459 . 1 . 1 38 38 LEU HD21 H 1 0.398 0.002 . . . . . . A 38 LEU HD21 . 34490 1 460 . 1 . 1 38 38 LEU HD22 H 1 0.398 0.002 . . . . . . A 38 LEU HD22 . 34490 1 461 . 1 . 1 38 38 LEU HD23 H 1 0.398 0.002 . . . . . . A 38 LEU HD23 . 34490 1 462 . 1 . 1 38 38 LEU C C 13 179.400 0.001 . . . . . . A 38 LEU C . 34490 1 463 . 1 . 1 38 38 LEU CA C 13 58.693 0.036 . . . . . . A 38 LEU CA . 34490 1 464 . 1 . 1 38 38 LEU CB C 13 40.969 0.031 . . . . . . A 38 LEU CB . 34490 1 465 . 1 . 1 38 38 LEU CG C 13 26.454 0.118 . . . . . . A 38 LEU CG . 34490 1 466 . 1 . 1 38 38 LEU CD1 C 13 24.768 1.712 . . . . . . A 38 LEU CD1 . 34490 1 467 . 1 . 1 38 38 LEU CD2 C 13 23.091 0.032 . . . . . . A 38 LEU CD2 . 34490 1 468 . 1 . 1 38 38 LEU N N 15 123.345 0.041 . . . . . . A 38 LEU N . 34490 1 469 . 1 . 1 39 39 ARG H H 1 8.190 0.005 . . . . . . A 39 ARG H . 34490 1 470 . 1 . 1 39 39 ARG HA H 1 3.863 0.009 . . . . . . A 39 ARG HA . 34490 1 471 . 1 . 1 39 39 ARG HB2 H 1 1.789 0.003 . . . . . . A 39 ARG HB2 . 34490 1 472 . 1 . 1 39 39 ARG HB3 H 1 1.663 0.004 . . . . . . A 39 ARG HB3 . 34490 1 473 . 1 . 1 39 39 ARG HG2 H 1 1.643 0.003 . . . . . . A 39 ARG HG2 . 34490 1 474 . 1 . 1 39 39 ARG HG3 H 1 1.573 0.002 . . . . . . A 39 ARG HG3 . 34490 1 475 . 1 . 1 39 39 ARG HD2 H 1 3.121 0.000 . . . . . . A 39 ARG HD2 . 34490 1 476 . 1 . 1 39 39 ARG HD3 H 1 3.068 0.002 . . . . . . A 39 ARG HD3 . 34490 1 477 . 1 . 1 39 39 ARG HE H 1 7.373 0.000 . . . . . . A 39 ARG HE . 34490 1 478 . 1 . 1 39 39 ARG C C 13 179.483 0.017 . . . . . . A 39 ARG C . 34490 1 479 . 1 . 1 39 39 ARG CA C 13 59.785 0.059 . . . . . . A 39 ARG CA . 34490 1 480 . 1 . 1 39 39 ARG CB C 13 30.190 0.024 . . . . . . A 39 ARG CB . 34490 1 481 . 1 . 1 39 39 ARG CG C 13 27.056 0.039 . . . . . . A 39 ARG CG . 34490 1 482 . 1 . 1 39 39 ARG CD C 13 43.234 0.052 . . . . . . A 39 ARG CD . 34490 1 483 . 1 . 1 39 39 ARG CZ C 13 171.633 0.000 . . . . . . A 39 ARG CZ . 34490 1 484 . 1 . 1 39 39 ARG N N 15 118.781 0.164 . . . . . . A 39 ARG N . 34490 1 485 . 1 . 1 39 39 ARG NE N 15 84.642 0.002 . . . . . . A 39 ARG NE . 34490 1 486 . 1 . 1 40 40 LYS H H 1 7.671 0.119 . . . . . . A 40 LYS H . 34490 1 487 . 1 . 1 40 40 LYS HA H 1 3.871 0.000 . . . . . . A 40 LYS HA . 34490 1 488 . 1 . 1 40 40 LYS HB2 H 1 1.601 0.000 . . . . . . A 40 LYS HB2 . 34490 1 489 . 1 . 1 40 40 LYS HB3 H 1 1.195 0.004 . . . . . . A 40 LYS HB3 . 34490 1 490 . 1 . 1 40 40 LYS HG2 H 1 1.314 0.003 . . . . . . A 40 LYS HG2 . 34490 1 491 . 1 . 1 40 40 LYS HG3 H 1 1.271 0.006 . . . . . . A 40 LYS HG3 . 34490 1 492 . 1 . 1 40 40 LYS HD2 H 1 1.693 0.000 . . . . . . A 40 LYS HD2 . 34490 1 493 . 1 . 1 40 40 LYS HD3 H 1 1.652 0.063 . . . . . . A 40 LYS HD3 . 34490 1 494 . 1 . 1 40 40 LYS HE2 H 1 2.915 0.000 . . . . . . A 40 LYS HE2 . 34490 1 495 . 1 . 1 40 40 LYS HE3 H 1 2.887 0.000 . . . . . . A 40 LYS HE3 . 34490 1 496 . 1 . 1 40 40 LYS C C 13 179.220 0.005 . . . . . . A 40 LYS C . 34490 1 497 . 1 . 1 40 40 LYS CA C 13 59.563 0.069 . . . . . . A 40 LYS CA . 34490 1 498 . 1 . 1 40 40 LYS CB C 13 32.720 0.052 . . . . . . A 40 LYS CB . 34490 1 499 . 1 . 1 40 40 LYS CG C 13 26.432 0.056 . . . . . . A 40 LYS CG . 34490 1 500 . 1 . 1 40 40 LYS CD C 13 29.299 0.041 . . . . . . A 40 LYS CD . 34490 1 501 . 1 . 1 40 40 LYS CE C 13 42.157 0.025 . . . . . . A 40 LYS CE . 34490 1 502 . 1 . 1 40 40 LYS N N 15 119.803 0.048 . . . . . . A 40 LYS N . 34490 1 503 . 1 . 1 41 41 LEU H H 1 8.016 0.032 . . . . . . A 41 LEU H . 34490 1 504 . 1 . 1 41 41 LEU HA H 1 3.672 0.002 . . . . . . A 41 LEU HA . 34490 1 505 . 1 . 1 41 41 LEU HB2 H 1 1.764 0.006 . . . . . . A 41 LEU HB2 . 34490 1 506 . 1 . 1 41 41 LEU HB3 H 1 1.057 0.002 . . . . . . A 41 LEU HB3 . 34490 1 507 . 1 . 1 41 41 LEU HG H 1 1.312 0.000 . . . . . . A 41 LEU HG . 34490 1 508 . 1 . 1 41 41 LEU HD11 H 1 0.474 0.000 . . . . . . A 41 LEU HD11 . 34490 1 509 . 1 . 1 41 41 LEU HD12 H 1 0.474 0.000 . . . . . . A 41 LEU HD12 . 34490 1 510 . 1 . 1 41 41 LEU HD13 H 1 0.474 0.000 . . . . . . A 41 LEU HD13 . 34490 1 511 . 1 . 1 41 41 LEU HD21 H 1 0.487 0.000 . . . . . . A 41 LEU HD21 . 34490 1 512 . 1 . 1 41 41 LEU HD22 H 1 0.487 0.000 . . . . . . A 41 LEU HD22 . 34490 1 513 . 1 . 1 41 41 LEU HD23 H 1 0.487 0.000 . . . . . . A 41 LEU HD23 . 34490 1 514 . 1 . 1 41 41 LEU C C 13 179.140 0.014 . . . . . . A 41 LEU C . 34490 1 515 . 1 . 1 41 41 LEU CA C 13 57.691 0.034 . . . . . . A 41 LEU CA . 34490 1 516 . 1 . 1 41 41 LEU CB C 13 42.571 0.041 . . . . . . A 41 LEU CB . 34490 1 517 . 1 . 1 41 41 LEU CG C 13 26.419 0.101 . . . . . . A 41 LEU CG . 34490 1 518 . 1 . 1 41 41 LEU CD1 C 13 23.607 0.026 . . . . . . A 41 LEU CD1 . 34490 1 519 . 1 . 1 41 41 LEU CD2 C 13 25.895 0.056 . . . . . . A 41 LEU CD2 . 34490 1 520 . 1 . 1 41 41 LEU N N 15 116.957 0.046 . . . . . . A 41 LEU N . 34490 1 521 . 1 . 1 42 42 GLN H H 1 8.110 0.025 . . . . . . A 42 GLN H . 34490 1 522 . 1 . 1 42 42 GLN HA H 1 4.221 0.001 . . . . . . A 42 GLN HA . 34490 1 523 . 1 . 1 42 42 GLN HB2 H 1 2.035 0.002 . . . . . . A 42 GLN HB2 . 34490 1 524 . 1 . 1 42 42 GLN HB3 H 1 1.860 0.003 . . . . . . A 42 GLN HB3 . 34490 1 525 . 1 . 1 42 42 GLN HG2 H 1 2.145 0.000 . . . . . . A 42 GLN HG2 . 34490 1 526 . 1 . 1 42 42 GLN HG3 H 1 1.981 0.000 . . . . . . A 42 GLN HG3 . 34490 1 527 . 1 . 1 42 42 GLN HE21 H 1 6.982 0.001 . . . . . . A 42 GLN HE21 . 34490 1 528 . 1 . 1 42 42 GLN HE22 H 1 6.831 0.000 . . . . . . A 42 GLN HE22 . 34490 1 529 . 1 . 1 42 42 GLN C C 13 179.885 0.001 . . . . . . A 42 GLN C . 34490 1 530 . 1 . 1 42 42 GLN CA C 13 58.808 0.039 . . . . . . A 42 GLN CA . 34490 1 531 . 1 . 1 42 42 GLN CB C 13 29.772 0.059 . . . . . . A 42 GLN CB . 34490 1 532 . 1 . 1 42 42 GLN CG C 13 35.054 0.037 . . . . . . A 42 GLN CG . 34490 1 533 . 1 . 1 42 42 GLN CD C 13 178.758 0.012 . . . . . . A 42 GLN CD . 34490 1 534 . 1 . 1 42 42 GLN N N 15 119.421 0.034 . . . . . . A 42 GLN N . 34490 1 535 . 1 . 1 42 42 GLN NE2 N 15 108.668 0.014 . . . . . . A 42 GLN NE2 . 34490 1 536 . 1 . 1 43 43 ALA H H 1 8.146 0.004 . . . . . . A 43 ALA H . 34490 1 537 . 1 . 1 43 43 ALA HA H 1 4.072 0.003 . . . . . . A 43 ALA HA . 34490 1 538 . 1 . 1 43 43 ALA HB1 H 1 1.438 0.002 . . . . . . A 43 ALA HB1 . 34490 1 539 . 1 . 1 43 43 ALA HB2 H 1 1.438 0.002 . . . . . . A 43 ALA HB2 . 34490 1 540 . 1 . 1 43 43 ALA HB3 H 1 1.438 0.002 . . . . . . A 43 ALA HB3 . 34490 1 541 . 1 . 1 43 43 ALA C C 13 178.883 0.005 . . . . . . A 43 ALA C . 34490 1 542 . 1 . 1 43 43 ALA CA C 13 55.051 0.029 . . . . . . A 43 ALA CA . 34490 1 543 . 1 . 1 43 43 ALA CB C 13 17.965 0.033 . . . . . . A 43 ALA CB . 34490 1 544 . 1 . 1 43 43 ALA N N 15 123.676 0.051 . . . . . . A 43 ALA N . 34490 1 545 . 1 . 1 44 44 ASP H H 1 7.496 0.002 . . . . . . A 44 ASP H . 34490 1 546 . 1 . 1 44 44 ASP HA H 1 4.849 0.002 . . . . . . A 44 ASP HA . 34490 1 547 . 1 . 1 44 44 ASP HB2 H 1 2.718 0.006 . . . . . . A 44 ASP HB2 . 34490 1 548 . 1 . 1 44 44 ASP HB3 H 1 2.661 0.001 . . . . . . A 44 ASP HB3 . 34490 1 549 . 1 . 1 44 44 ASP C C 13 176.529 0.006 . . . . . . A 44 ASP C . 34490 1 550 . 1 . 1 44 44 ASP CA C 13 53.970 0.041 . . . . . . A 44 ASP CA . 34490 1 551 . 1 . 1 44 44 ASP CB C 13 42.731 0.030 . . . . . . A 44 ASP CB . 34490 1 552 . 1 . 1 44 44 ASP N N 15 114.618 0.056 . . . . . . A 44 ASP N . 34490 1 553 . 1 . 1 45 45 GLY H H 1 7.813 0.002 . . . . . . A 45 GLY H . 34490 1 554 . 1 . 1 45 45 GLY HA2 H 1 3.986 0.001 . . . . . . A 45 GLY HA2 . 34490 1 555 . 1 . 1 45 45 GLY HA3 H 1 3.842 0.000 . . . . . . A 45 GLY HA3 . 34490 1 556 . 1 . 1 45 45 GLY C C 13 175.033 0.011 . . . . . . A 45 GLY C . 34490 1 557 . 1 . 1 45 45 GLY CA C 13 45.921 0.029 . . . . . . A 45 GLY CA . 34490 1 558 . 1 . 1 45 45 GLY N N 15 106.855 0.049 . . . . . . A 45 GLY N . 34490 1 559 . 1 . 1 46 46 ARG H H 1 8.144 0.004 . . . . . . A 46 ARG H . 34490 1 560 . 1 . 1 46 46 ARG HA H 1 4.069 0.006 . . . . . . A 46 ARG HA . 34490 1 561 . 1 . 1 46 46 ARG HB2 H 1 2.017 0.000 . . . . . . A 46 ARG HB2 . 34490 1 562 . 1 . 1 46 46 ARG HB3 H 1 1.564 0.007 . . . . . . A 46 ARG HB3 . 34490 1 563 . 1 . 1 46 46 ARG HG2 H 1 1.743 0.000 . . . . . . A 46 ARG HG2 . 34490 1 564 . 1 . 1 46 46 ARG HG3 H 1 1.648 0.000 . . . . . . A 46 ARG HG3 . 34490 1 565 . 1 . 1 46 46 ARG HD2 H 1 3.535 0.001 . . . . . . A 46 ARG HD2 . 34490 1 566 . 1 . 1 46 46 ARG HD3 H 1 3.050 0.000 . . . . . . A 46 ARG HD3 . 34490 1 567 . 1 . 1 46 46 ARG HE H 1 8.570 0.008 . . . . . . A 46 ARG HE . 34490 1 568 . 1 . 1 46 46 ARG C C 13 176.607 0.003 . . . . . . A 46 ARG C . 34490 1 569 . 1 . 1 46 46 ARG CA C 13 57.613 0.029 . . . . . . A 46 ARG CA . 34490 1 570 . 1 . 1 46 46 ARG CB C 13 31.346 0.042 . . . . . . A 46 ARG CB . 34490 1 571 . 1 . 1 46 46 ARG CG C 13 29.113 0.113 . . . . . . A 46 ARG CG . 34490 1 572 . 1 . 1 46 46 ARG CD C 13 43.569 0.049 . . . . . . A 46 ARG CD . 34490 1 573 . 1 . 1 46 46 ARG CZ C 13 160.067 0.000 . . . . . . A 46 ARG CZ . 34490 1 574 . 1 . 1 46 46 ARG N N 15 117.222 0.063 . . . . . . A 46 ARG N . 34490 1 575 . 1 . 1 46 46 ARG NE N 15 85.414 0.007 . . . . . . A 46 ARG NE . 34490 1 576 . 1 . 1 47 47 ILE H H 1 6.882 0.002 . . . . . . A 47 ILE H . 34490 1 577 . 1 . 1 47 47 ILE HA H 1 4.023 0.000 . . . . . . A 47 ILE HA . 34490 1 578 . 1 . 1 47 47 ILE HB H 1 2.027 0.012 . . . . . . A 47 ILE HB . 34490 1 579 . 1 . 1 47 47 ILE HG12 H 1 0.471 0.001 . . . . . . A 47 ILE HG12 . 34490 1 580 . 1 . 1 47 47 ILE HG13 H 1 1.065 0.000 . . . . . . A 47 ILE HG13 . 34490 1 581 . 1 . 1 47 47 ILE HG21 H 1 0.639 0.001 . . . . . . A 47 ILE HG21 . 34490 1 582 . 1 . 1 47 47 ILE HG22 H 1 0.639 0.001 . . . . . . A 47 ILE HG22 . 34490 1 583 . 1 . 1 47 47 ILE HG23 H 1 0.639 0.001 . . . . . . A 47 ILE HG23 . 34490 1 584 . 1 . 1 47 47 ILE HD11 H 1 0.618 0.001 . . . . . . A 47 ILE HD11 . 34490 1 585 . 1 . 1 47 47 ILE HD12 H 1 0.618 0.001 . . . . . . A 47 ILE HD12 . 34490 1 586 . 1 . 1 47 47 ILE HD13 H 1 0.618 0.001 . . . . . . A 47 ILE HD13 . 34490 1 587 . 1 . 1 47 47 ILE C C 13 174.567 0.000 . . . . . . A 47 ILE C . 34490 1 588 . 1 . 1 47 47 ILE CA C 13 58.099 0.073 . . . . . . A 47 ILE CA . 34490 1 589 . 1 . 1 47 47 ILE CB C 13 41.228 0.061 . . . . . . A 47 ILE CB . 34490 1 590 . 1 . 1 47 47 ILE CG1 C 13 23.776 0.046 . . . . . . A 47 ILE CG1 . 34490 1 591 . 1 . 1 47 47 ILE CG2 C 13 17.159 0.028 . . . . . . A 47 ILE CG2 . 34490 1 592 . 1 . 1 47 47 ILE CD1 C 13 15.074 0.027 . . . . . . A 47 ILE CD1 . 34490 1 593 . 1 . 1 47 47 ILE N N 15 106.112 0.060 . . . . . . A 47 ILE N . 34490 1 594 . 1 . 1 48 48 THR HA H 1 4.470 0.003 . . . . . . A 48 THR HA . 34490 1 595 . 1 . 1 48 48 THR HB H 1 4.715 0.000 . . . . . . A 48 THR HB . 34490 1 596 . 1 . 1 48 48 THR HG21 H 1 1.134 0.000 . . . . . . A 48 THR HG21 . 34490 1 597 . 1 . 1 48 48 THR HG22 H 1 1.134 0.000 . . . . . . A 48 THR HG22 . 34490 1 598 . 1 . 1 48 48 THR HG23 H 1 1.134 0.000 . . . . . . A 48 THR HG23 . 34490 1 599 . 1 . 1 48 48 THR C C 13 175.446 0.001 . . . . . . A 48 THR C . 34490 1 600 . 1 . 1 48 48 THR CA C 13 59.734 0.066 . . . . . . A 48 THR CA . 34490 1 601 . 1 . 1 48 48 THR CB C 13 71.521 0.056 . . . . . . A 48 THR CB . 34490 1 602 . 1 . 1 48 48 THR CG2 C 13 21.700 0.014 . . . . . . A 48 THR CG2 . 34490 1 603 . 1 . 1 49 49 GLU H H 1 8.982 0.001 . . . . . . A 49 GLU H . 34490 1 604 . 1 . 1 49 49 GLU HA H 1 3.924 0.000 . . . . . . A 49 GLU HA . 34490 1 605 . 1 . 1 49 49 GLU HB2 H 1 2.028 0.000 . . . . . . A 49 GLU HB2 . 34490 1 606 . 1 . 1 49 49 GLU HB3 H 1 1.928 0.000 . . . . . . A 49 GLU HB3 . 34490 1 607 . 1 . 1 49 49 GLU HG2 H 1 2.170 0.000 . . . . . . A 49 GLU HG2 . 34490 1 608 . 1 . 1 49 49 GLU HG3 H 1 2.388 0.000 . . . . . . A 49 GLU HG3 . 34490 1 609 . 1 . 1 49 49 GLU C C 13 178.657 0.003 . . . . . . A 49 GLU C . 34490 1 610 . 1 . 1 49 49 GLU CA C 13 59.642 0.033 . . . . . . A 49 GLU CA . 34490 1 611 . 1 . 1 49 49 GLU CB C 13 29.525 0.091 . . . . . . A 49 GLU CB . 34490 1 612 . 1 . 1 49 49 GLU CG C 13 36.266 0.093 . . . . . . A 49 GLU CG . 34490 1 613 . 1 . 1 49 49 GLU N N 15 121.901 0.040 . . . . . . A 49 GLU N . 34490 1 614 . 1 . 1 50 50 GLU H H 1 8.480 0.005 . . . . . . A 50 GLU H . 34490 1 615 . 1 . 1 50 50 GLU HA H 1 3.908 0.000 . . . . . . A 50 GLU HA . 34490 1 616 . 1 . 1 50 50 GLU HB2 H 1 1.982 0.002 . . . . . . A 50 GLU HB2 . 34490 1 617 . 1 . 1 50 50 GLU HB3 H 1 1.874 0.000 . . . . . . A 50 GLU HB3 . 34490 1 618 . 1 . 1 50 50 GLU HG2 H 1 2.264 0.000 . . . . . . A 50 GLU HG2 . 34490 1 619 . 1 . 1 50 50 GLU HG3 H 1 2.261 0.000 . . . . . . A 50 GLU HG3 . 34490 1 620 . 1 . 1 50 50 GLU C C 13 179.926 0.004 . . . . . . A 50 GLU C . 34490 1 621 . 1 . 1 50 50 GLU CA C 13 59.940 0.049 . . . . . . A 50 GLU CA . 34490 1 622 . 1 . 1 50 50 GLU CB C 13 29.172 0.032 . . . . . . A 50 GLU CB . 34490 1 623 . 1 . 1 50 50 GLU CG C 13 36.671 0.018 . . . . . . A 50 GLU CG . 34490 1 624 . 1 . 1 50 50 GLU N N 15 118.069 0.054 . . . . . . A 50 GLU N . 34490 1 625 . 1 . 1 51 51 GLN H H 1 7.758 0.002 . . . . . . A 51 GLN H . 34490 1 626 . 1 . 1 51 51 GLN HA H 1 3.901 0.004 . . . . . . A 51 GLN HA . 34490 1 627 . 1 . 1 51 51 GLN HB2 H 1 2.338 0.001 . . . . . . A 51 GLN HB2 . 34490 1 628 . 1 . 1 51 51 GLN HB3 H 1 1.426 0.001 . . . . . . A 51 GLN HB3 . 34490 1 629 . 1 . 1 51 51 GLN HG2 H 1 2.459 0.000 . . . . . . A 51 GLN HG2 . 34490 1 630 . 1 . 1 51 51 GLN HG3 H 1 2.260 0.007 . . . . . . A 51 GLN HG3 . 34490 1 631 . 1 . 1 51 51 GLN HE21 H 1 7.459 0.000 . . . . . . A 51 GLN HE21 . 34490 1 632 . 1 . 1 51 51 GLN HE22 H 1 6.780 0.000 . . . . . . A 51 GLN HE22 . 34490 1 633 . 1 . 1 51 51 GLN C C 13 177.821 0.002 . . . . . . A 51 GLN C . 34490 1 634 . 1 . 1 51 51 GLN CA C 13 58.784 0.035 . . . . . . A 51 GLN CA . 34490 1 635 . 1 . 1 51 51 GLN CB C 13 28.178 0.070 . . . . . . A 51 GLN CB . 34490 1 636 . 1 . 1 51 51 GLN CG C 13 34.669 0.048 . . . . . . A 51 GLN CG . 34490 1 637 . 1 . 1 51 51 GLN N N 15 120.063 0.036 . . . . . . A 51 GLN N . 34490 1 638 . 1 . 1 51 51 GLN NE2 N 15 111.918 0.011 . . . . . . A 51 GLN NE2 . 34490 1 639 . 1 . 1 52 52 ALA H H 1 8.138 0.003 . . . . . . A 52 ALA H . 34490 1 640 . 1 . 1 52 52 ALA HA H 1 3.797 0.002 . . . . . . A 52 ALA HA . 34490 1 641 . 1 . 1 52 52 ALA HB1 H 1 1.376 0.003 . . . . . . A 52 ALA HB1 . 34490 1 642 . 1 . 1 52 52 ALA HB2 H 1 1.376 0.003 . . . . . . A 52 ALA HB2 . 34490 1 643 . 1 . 1 52 52 ALA HB3 H 1 1.376 0.003 . . . . . . A 52 ALA HB3 . 34490 1 644 . 1 . 1 52 52 ALA C C 13 179.305 0.001 . . . . . . A 52 ALA C . 34490 1 645 . 1 . 1 52 52 ALA CA C 13 55.722 0.045 . . . . . . A 52 ALA CA . 34490 1 646 . 1 . 1 52 52 ALA CB C 13 18.394 0.041 . . . . . . A 52 ALA CB . 34490 1 647 . 1 . 1 52 52 ALA N N 15 121.527 0.061 . . . . . . A 52 ALA N . 34490 1 648 . 1 . 1 53 53 LYS H H 1 8.263 0.003 . . . . . . A 53 LYS H . 34490 1 649 . 1 . 1 53 53 LYS HA H 1 3.885 0.000 . . . . . . A 53 LYS HA . 34490 1 650 . 1 . 1 53 53 LYS HB2 H 1 1.820 0.000 . . . . . . A 53 LYS HB2 . 34490 1 651 . 1 . 1 53 53 LYS HB3 H 1 1.821 0.000 . . . . . . A 53 LYS HB3 . 34490 1 652 . 1 . 1 53 53 LYS HG2 H 1 1.412 0.000 . . . . . . A 53 LYS HG2 . 34490 1 653 . 1 . 1 53 53 LYS HG3 H 1 1.323 0.000 . . . . . . A 53 LYS HG3 . 34490 1 654 . 1 . 1 53 53 LYS HE2 H 1 2.910 0.000 . . . . . . A 53 LYS HE2 . 34490 1 655 . 1 . 1 53 53 LYS C C 13 179.001 0.004 . . . . . . A 53 LYS C . 34490 1 656 . 1 . 1 53 53 LYS CA C 13 59.881 0.059 . . . . . . A 53 LYS CA . 34490 1 657 . 1 . 1 53 53 LYS CB C 13 32.628 0.050 . . . . . . A 53 LYS CB . 34490 1 658 . 1 . 1 53 53 LYS CG C 13 25.304 0.085 . . . . . . A 53 LYS CG . 34490 1 659 . 1 . 1 53 53 LYS CD C 13 29.384 0.000 . . . . . . A 53 LYS CD . 34490 1 660 . 1 . 1 53 53 LYS CE C 13 42.102 0.012 . . . . . . A 53 LYS CE . 34490 1 661 . 1 . 1 53 53 LYS N N 15 117.548 0.049 . . . . . . A 53 LYS N . 34490 1 662 . 1 . 1 54 54 ALA H H 1 8.055 0.002 . . . . . . A 54 ALA H . 34490 1 663 . 1 . 1 54 54 ALA HA H 1 4.157 0.003 . . . . . . A 54 ALA HA . 34490 1 664 . 1 . 1 54 54 ALA HB1 H 1 1.501 0.002 . . . . . . A 54 ALA HB1 . 34490 1 665 . 1 . 1 54 54 ALA HB2 H 1 1.501 0.002 . . . . . . A 54 ALA HB2 . 34490 1 666 . 1 . 1 54 54 ALA HB3 H 1 1.501 0.002 . . . . . . A 54 ALA HB3 . 34490 1 667 . 1 . 1 54 54 ALA C C 13 180.118 0.003 . . . . . . A 54 ALA C . 34490 1 668 . 1 . 1 54 54 ALA CA C 13 54.865 0.025 . . . . . . A 54 ALA CA . 34490 1 669 . 1 . 1 54 54 ALA CB C 13 18.510 0.028 . . . . . . A 54 ALA CB . 34490 1 670 . 1 . 1 54 54 ALA N N 15 121.459 0.042 . . . . . . A 54 ALA N . 34490 1 671 . 1 . 1 55 55 TYR H H 1 8.491 0.002 . . . . . . A 55 TYR H . 34490 1 672 . 1 . 1 55 55 TYR HA H 1 3.832 0.002 . . . . . . A 55 TYR HA . 34490 1 673 . 1 . 1 55 55 TYR HB2 H 1 3.245 0.136 . . . . . . A 55 TYR HB2 . 34490 1 674 . 1 . 1 55 55 TYR HB3 H 1 3.010 0.001 . . . . . . A 55 TYR HB3 . 34490 1 675 . 1 . 1 55 55 TYR HD1 H 1 7.019 0.000 . . . . . . A 55 TYR HD1 . 34490 1 676 . 1 . 1 55 55 TYR HD2 H 1 7.881 0.000 . . . . . . A 55 TYR HD2 . 34490 1 677 . 1 . 1 55 55 TYR HE1 H 1 6.877 0.000 . . . . . . A 55 TYR HE1 . 34490 1 678 . 1 . 1 55 55 TYR C C 13 177.491 0.000 . . . . . . A 55 TYR C . 34490 1 679 . 1 . 1 55 55 TYR CA C 13 62.699 0.018 . . . . . . A 55 TYR CA . 34490 1 680 . 1 . 1 55 55 TYR CB C 13 39.421 0.027 . . . . . . A 55 TYR CB . 34490 1 681 . 1 . 1 55 55 TYR CD1 C 13 133.506 0.000 . . . . . . A 55 TYR CD1 . 34490 1 682 . 1 . 1 55 55 TYR CD2 C 13 138.022 0.000 . . . . . . A 55 TYR CD2 . 34490 1 683 . 1 . 1 55 55 TYR CE1 C 13 119.577 0.000 . . . . . . A 55 TYR CE1 . 34490 1 684 . 1 . 1 55 55 TYR N N 15 120.550 0.067 . . . . . . A 55 TYR N . 34490 1 685 . 1 . 1 56 56 LYS H H 1 8.134 0.006 . . . . . . A 56 LYS H . 34490 1 686 . 1 . 1 56 56 LYS HA H 1 3.861 0.002 . . . . . . A 56 LYS HA . 34490 1 687 . 1 . 1 56 56 LYS HB2 H 1 1.961 0.011 . . . . . . A 56 LYS HB2 . 34490 1 688 . 1 . 1 56 56 LYS HB3 H 1 1.862 0.003 . . . . . . A 56 LYS HB3 . 34490 1 689 . 1 . 1 56 56 LYS HG2 H 1 1.684 0.002 . . . . . . A 56 LYS HG2 . 34490 1 690 . 1 . 1 56 56 LYS HD2 H 1 1.732 0.003 . . . . . . A 56 LYS HD2 . 34490 1 691 . 1 . 1 56 56 LYS HE2 H 1 2.549 0.000 . . . . . . A 56 LYS HE2 . 34490 1 692 . 1 . 1 56 56 LYS HE3 H 1 2.473 0.000 . . . . . . A 56 LYS HE3 . 34490 1 693 . 1 . 1 56 56 LYS C C 13 178.519 0.000 . . . . . . A 56 LYS C . 34490 1 694 . 1 . 1 56 56 LYS CA C 13 60.379 0.392 . . . . . . A 56 LYS CA . 34490 1 695 . 1 . 1 56 56 LYS CB C 13 32.461 0.087 . . . . . . A 56 LYS CB . 34490 1 696 . 1 . 1 56 56 LYS CG C 13 25.267 0.055 . . . . . . A 56 LYS CG . 34490 1 697 . 1 . 1 56 56 LYS CD C 13 29.248 0.025 . . . . . . A 56 LYS CD . 34490 1 698 . 1 . 1 56 56 LYS CE C 13 41.782 0.228 . . . . . . A 56 LYS CE . 34490 1 699 . 1 . 1 56 56 LYS N N 15 120.077 0.027 . . . . . . A 56 LYS N . 34490 1 700 . 1 . 1 57 57 GLU H H 1 8.394 0.002 . . . . . . A 57 GLU H . 34490 1 701 . 1 . 1 57 57 GLU HA H 1 3.963 0.002 . . . . . . A 57 GLU HA . 34490 1 702 . 1 . 1 57 57 GLU HB2 H 1 2.062 0.000 . . . . . . A 57 GLU HB2 . 34490 1 703 . 1 . 1 57 57 GLU HB3 H 1 1.938 0.000 . . . . . . A 57 GLU HB3 . 34490 1 704 . 1 . 1 57 57 GLU HG2 H 1 2.244 0.000 . . . . . . A 57 GLU HG2 . 34490 1 705 . 1 . 1 57 57 GLU HG3 H 1 2.204 0.053 . . . . . . A 57 GLU HG3 . 34490 1 706 . 1 . 1 57 57 GLU C C 13 178.571 0.007 . . . . . . A 57 GLU C . 34490 1 707 . 1 . 1 57 57 GLU CA C 13 59.502 0.054 . . . . . . A 57 GLU CA . 34490 1 708 . 1 . 1 57 57 GLU CB C 13 29.642 0.074 . . . . . . A 57 GLU CB . 34490 1 709 . 1 . 1 57 57 GLU CG C 13 36.392 0.199 . . . . . . A 57 GLU CG . 34490 1 710 . 1 . 1 57 57 GLU N N 15 118.668 0.048 . . . . . . A 57 GLU N . 34490 1 711 . 1 . 1 58 58 TYR H H 1 8.065 0.005 . . . . . . A 58 TYR H . 34490 1 712 . 1 . 1 58 58 TYR HA H 1 3.874 0.002 . . . . . . A 58 TYR HA . 34490 1 713 . 1 . 1 58 58 TYR HB2 H 1 2.842 0.003 . . . . . . A 58 TYR HB2 . 34490 1 714 . 1 . 1 58 58 TYR HB3 H 1 2.603 0.002 . . . . . . A 58 TYR HB3 . 34490 1 715 . 1 . 1 58 58 TYR C C 13 177.821 0.006 . . . . . . A 58 TYR C . 34490 1 716 . 1 . 1 58 58 TYR CA C 13 61.336 0.029 . . . . . . A 58 TYR CA . 34490 1 717 . 1 . 1 58 58 TYR CB C 13 38.079 0.048 . . . . . . A 58 TYR CB . 34490 1 718 . 1 . 1 58 58 TYR N N 15 118.646 0.038 . . . . . . A 58 TYR N . 34490 1 719 . 1 . 1 59 59 HIS H H 1 7.319 0.004 . . . . . . A 59 HIS H . 34490 1 720 . 1 . 1 59 59 HIS HA H 1 4.087 0.002 . . . . . . A 59 HIS HA . 34490 1 721 . 1 . 1 59 59 HIS HB2 H 1 2.608 0.000 . . . . . . A 59 HIS HB2 . 34490 1 722 . 1 . 1 59 59 HIS HB3 H 1 2.563 0.000 . . . . . . A 59 HIS HB3 . 34490 1 723 . 1 . 1 59 59 HIS C C 13 177.021 0.010 . . . . . . A 59 HIS C . 34490 1 724 . 1 . 1 59 59 HIS CA C 13 60.294 0.076 . . . . . . A 59 HIS CA . 34490 1 725 . 1 . 1 59 59 HIS CB C 13 29.772 0.034 . . . . . . A 59 HIS CB . 34490 1 726 . 1 . 1 59 59 HIS N N 15 116.398 0.066 . . . . . . A 59 HIS N . 34490 1 727 . 1 . 1 60 60 ASP H H 1 8.525 0.009 . . . . . . A 60 ASP H . 34490 1 728 . 1 . 1 60 60 ASP HA H 1 4.316 0.002 . . . . . . A 60 ASP HA . 34490 1 729 . 1 . 1 60 60 ASP HB2 H 1 2.712 0.002 . . . . . . A 60 ASP HB2 . 34490 1 730 . 1 . 1 60 60 ASP HB3 H 1 2.574 0.004 . . . . . . A 60 ASP HB3 . 34490 1 731 . 1 . 1 60 60 ASP C C 13 178.609 0.016 . . . . . . A 60 ASP C . 34490 1 732 . 1 . 1 60 60 ASP CA C 13 56.889 0.021 . . . . . . A 60 ASP CA . 34490 1 733 . 1 . 1 60 60 ASP CB C 13 40.313 0.056 . . . . . . A 60 ASP CB . 34490 1 734 . 1 . 1 60 60 ASP N N 15 121.631 0.045 . . . . . . A 60 ASP N . 34490 1 735 . 1 . 1 61 61 LYS H H 1 7.587 0.004 . . . . . . A 61 LYS H . 34490 1 736 . 1 . 1 61 61 LYS HA H 1 4.073 0.003 . . . . . . A 61 LYS HA . 34490 1 737 . 1 . 1 61 61 LYS HB2 H 1 1.669 0.004 . . . . . . A 61 LYS HB2 . 34490 1 738 . 1 . 1 61 61 LYS HB3 H 1 1.674 0.000 . . . . . . A 61 LYS HB3 . 34490 1 739 . 1 . 1 61 61 LYS HG2 H 1 1.361 0.000 . . . . . . A 61 LYS HG2 . 34490 1 740 . 1 . 1 61 61 LYS HG3 H 1 1.362 0.000 . . . . . . A 61 LYS HG3 . 34490 1 741 . 1 . 1 61 61 LYS HD2 H 1 1.602 0.000 . . . . . . A 61 LYS HD2 . 34490 1 742 . 1 . 1 61 61 LYS HD3 H 1 1.606 0.000 . . . . . . A 61 LYS HD3 . 34490 1 743 . 1 . 1 61 61 LYS HE2 H 1 2.914 0.000 . . . . . . A 61 LYS HE2 . 34490 1 744 . 1 . 1 61 61 LYS HE3 H 1 2.888 0.022 . . . . . . A 61 LYS HE3 . 34490 1 745 . 1 . 1 61 61 LYS C C 13 177.007 0.005 . . . . . . A 61 LYS C . 34490 1 746 . 1 . 1 61 61 LYS CA C 13 57.653 0.067 . . . . . . A 61 LYS CA . 34490 1 747 . 1 . 1 61 61 LYS CB C 13 32.747 0.069 . . . . . . A 61 LYS CB . 34490 1 748 . 1 . 1 61 61 LYS CG C 13 24.912 0.146 . . . . . . A 61 LYS CG . 34490 1 749 . 1 . 1 61 61 LYS CD C 13 28.969 0.095 . . . . . . A 61 LYS CD . 34490 1 750 . 1 . 1 61 61 LYS CE C 13 42.148 0.041 . . . . . . A 61 LYS CE . 34490 1 751 . 1 . 1 61 61 LYS N N 15 117.387 0.044 . . . . . . A 61 LYS N . 34490 1 752 . 1 . 1 62 62 ASN H H 1 7.432 0.002 . . . . . . A 62 ASN H . 34490 1 753 . 1 . 1 62 62 ASN HA H 1 4.668 0.003 . . . . . . A 62 ASN HA . 34490 1 754 . 1 . 1 62 62 ASN HB2 H 1 2.448 0.001 . . . . . . A 62 ASN HB2 . 34490 1 755 . 1 . 1 62 62 ASN HB3 H 1 2.342 0.002 . . . . . . A 62 ASN HB3 . 34490 1 756 . 1 . 1 62 62 ASN HD21 H 1 6.691 0.001 . . . . . . A 62 ASN HD21 . 34490 1 757 . 1 . 1 62 62 ASN HD22 H 1 6.541 0.001 . . . . . . A 62 ASN HD22 . 34490 1 758 . 1 . 1 62 62 ASN C C 13 175.651 0.002 . . . . . . A 62 ASN C . 34490 1 759 . 1 . 1 62 62 ASN CA C 13 52.803 0.078 . . . . . . A 62 ASN CA . 34490 1 760 . 1 . 1 62 62 ASN CB C 13 38.849 0.035 . . . . . . A 62 ASN CB . 34490 1 761 . 1 . 1 62 62 ASN CG C 13 177.061 0.009 . . . . . . A 62 ASN CG . 34490 1 762 . 1 . 1 62 62 ASN N N 15 116.241 0.058 . . . . . . A 62 ASN N . 34490 1 763 . 1 . 1 62 62 ASN ND2 N 15 113.043 0.031 . . . . . . A 62 ASN ND2 . 34490 1 764 . 1 . 1 63 63 GLY H H 1 7.907 0.002 . . . . . . A 63 GLY H . 34490 1 765 . 1 . 1 63 63 GLY HA2 H 1 4.026 0.001 . . . . . . A 63 GLY HA2 . 34490 1 766 . 1 . 1 63 63 GLY HA3 H 1 3.827 0.001 . . . . . . A 63 GLY HA3 . 34490 1 767 . 1 . 1 63 63 GLY C C 13 175.119 0.004 . . . . . . A 63 GLY C . 34490 1 768 . 1 . 1 63 63 GLY CA C 13 46.099 0.038 . . . . . . A 63 GLY CA . 34490 1 769 . 1 . 1 63 63 GLY N N 15 108.845 0.046 . . . . . . A 63 GLY N . 34490 1 770 . 1 . 1 64 64 GLY H H 1 8.404 0.001 . . . . . . A 64 GLY H . 34490 1 771 . 1 . 1 64 64 GLY HA2 H 1 3.852 0.000 . . . . . . A 64 GLY HA2 . 34490 1 772 . 1 . 1 64 64 GLY HA3 H 1 3.849 0.000 . . . . . . A 64 GLY HA3 . 34490 1 773 . 1 . 1 64 64 GLY C C 13 174.807 0.002 . . . . . . A 64 GLY C . 34490 1 774 . 1 . 1 64 64 GLY CA C 13 45.969 0.113 . . . . . . A 64 GLY CA . 34490 1 775 . 1 . 1 64 64 GLY N N 15 108.484 0.055 . . . . . . A 64 GLY N . 34490 1 776 . 1 . 1 65 65 ALA H H 1 7.853 0.001 . . . . . . A 65 ALA H . 34490 1 777 . 1 . 1 65 65 ALA HA H 1 4.192 0.003 . . . . . . A 65 ALA HA . 34490 1 778 . 1 . 1 65 65 ALA HB1 H 1 1.332 0.016 . . . . . . A 65 ALA HB1 . 34490 1 779 . 1 . 1 65 65 ALA HB2 H 1 1.332 0.016 . . . . . . A 65 ALA HB2 . 34490 1 780 . 1 . 1 65 65 ALA HB3 H 1 1.332 0.016 . . . . . . A 65 ALA HB3 . 34490 1 781 . 1 . 1 65 65 ALA C C 13 177.606 0.003 . . . . . . A 65 ALA C . 34490 1 782 . 1 . 1 65 65 ALA CA C 13 53.126 0.031 . . . . . . A 65 ALA CA . 34490 1 783 . 1 . 1 65 65 ALA CB C 13 19.112 0.032 . . . . . . A 65 ALA CB . 34490 1 784 . 1 . 1 65 65 ALA N N 15 123.589 0.051 . . . . . . A 65 ALA N . 34490 1 785 . 1 . 1 66 66 ASN H H 1 8.697 0.003 . . . . . . A 66 ASN H . 34490 1 786 . 1 . 1 66 66 ASN HA H 1 4.627 0.001 . . . . . . A 66 ASN HA . 34490 1 787 . 1 . 1 66 66 ASN HB2 H 1 2.829 0.002 . . . . . . A 66 ASN HB2 . 34490 1 788 . 1 . 1 66 66 ASN HB3 H 1 2.688 0.001 . . . . . . A 66 ASN HB3 . 34490 1 789 . 1 . 1 66 66 ASN HD21 H 1 7.565 0.000 . . . . . . A 66 ASN HD21 . 34490 1 790 . 1 . 1 66 66 ASN HD22 H 1 6.873 0.001 . . . . . . A 66 ASN HD22 . 34490 1 791 . 1 . 1 66 66 ASN C C 13 174.415 0.002 . . . . . . A 66 ASN C . 34490 1 792 . 1 . 1 66 66 ASN CA C 13 52.844 0.062 . . . . . . A 66 ASN CA . 34490 1 793 . 1 . 1 66 66 ASN CB C 13 38.645 0.034 . . . . . . A 66 ASN CB . 34490 1 794 . 1 . 1 66 66 ASN CG C 13 177.223 0.008 . . . . . . A 66 ASN CG . 34490 1 795 . 1 . 1 66 66 ASN N N 15 116.436 0.070 . . . . . . A 66 ASN N . 34490 1 796 . 1 . 1 66 66 ASN ND2 N 15 112.494 0.016 . . . . . . A 66 ASN ND2 . 34490 1 797 . 1 . 1 67 67 ARG H H 1 7.811 0.008 . . . . . . A 67 ARG H . 34490 1 798 . 1 . 1 67 67 ARG HA H 1 4.166 0.000 . . . . . . A 67 ARG HA . 34490 1 799 . 1 . 1 67 67 ARG HB2 H 1 1.740 0.218 . . . . . . A 67 ARG HB2 . 34490 1 800 . 1 . 1 67 67 ARG HB3 H 1 1.117 0.002 . . . . . . A 67 ARG HB3 . 34490 1 801 . 1 . 1 67 67 ARG HG2 H 1 1.113 0.001 . . . . . . A 67 ARG HG2 . 34490 1 802 . 1 . 1 67 67 ARG HG3 H 1 1.019 0.002 . . . . . . A 67 ARG HG3 . 34490 1 803 . 1 . 1 67 67 ARG HD2 H 1 3.032 0.005 . . . . . . A 67 ARG HD2 . 34490 1 804 . 1 . 1 67 67 ARG HD3 H 1 2.919 0.004 . . . . . . A 67 ARG HD3 . 34490 1 805 . 1 . 1 67 67 ARG HE H 1 7.176 0.001 . . . . . . A 67 ARG HE . 34490 1 806 . 1 . 1 67 67 ARG C C 13 176.138 0.000 . . . . . . A 67 ARG C . 34490 1 807 . 1 . 1 67 67 ARG CA C 13 56.532 0.109 . . . . . . A 67 ARG CA . 34490 1 808 . 1 . 1 67 67 ARG CB C 13 30.546 0.128 . . . . . . A 67 ARG CB . 34490 1 809 . 1 . 1 67 67 ARG CG C 13 27.079 0.047 . . . . . . A 67 ARG CG . 34490 1 810 . 1 . 1 67 67 ARG CD C 13 43.869 0.047 . . . . . . A 67 ARG CD . 34490 1 811 . 1 . 1 67 67 ARG CZ C 13 160.154 0.000 . . . . . . A 67 ARG CZ . 34490 1 812 . 1 . 1 67 67 ARG N N 15 122.770 0.020 . . . . . . A 67 ARG N . 34490 1 813 . 1 . 1 67 67 ARG NE N 15 84.597 0.006 . . . . . . A 67 ARG NE . 34490 1 814 . 1 . 1 68 68 LYS HA H 1 4.200 0.001 . . . . . . A 68 LYS HA . 34490 1 815 . 1 . 1 68 68 LYS HB2 H 1 1.767 0.002 . . . . . . A 68 LYS HB2 . 34490 1 816 . 1 . 1 68 68 LYS HB3 H 1 1.598 0.004 . . . . . . A 68 LYS HB3 . 34490 1 817 . 1 . 1 68 68 LYS HG2 H 1 1.419 0.000 . . . . . . A 68 LYS HG2 . 34490 1 818 . 1 . 1 68 68 LYS HG3 H 1 1.299 0.005 . . . . . . A 68 LYS HG3 . 34490 1 819 . 1 . 1 68 68 LYS HD2 H 1 1.531 0.000 . . . . . . A 68 LYS HD2 . 34490 1 820 . 1 . 1 68 68 LYS HD3 H 1 1.528 0.002 . . . . . . A 68 LYS HD3 . 34490 1 821 . 1 . 1 68 68 LYS HE2 H 1 2.903 0.000 . . . . . . A 68 LYS HE2 . 34490 1 822 . 1 . 1 68 68 LYS HE3 H 1 2.921 0.000 . . . . . . A 68 LYS HE3 . 34490 1 823 . 1 . 1 68 68 LYS C C 13 176.112 0.006 . . . . . . A 68 LYS C . 34490 1 824 . 1 . 1 68 68 LYS CA C 13 57.551 0.052 . . . . . . A 68 LYS CA . 34490 1 825 . 1 . 1 68 68 LYS CB C 13 34.013 0.083 . . . . . . A 68 LYS CB . 34490 1 826 . 1 . 1 68 68 LYS CG C 13 25.124 0.045 . . . . . . A 68 LYS CG . 34490 1 827 . 1 . 1 68 68 LYS CD C 13 28.863 0.044 . . . . . . A 68 LYS CD . 34490 1 828 . 1 . 1 68 68 LYS CE C 13 42.099 0.026 . . . . . . A 68 LYS CE . 34490 1 829 . 1 . 1 69 69 VAL H H 1 7.521 0.002 . . . . . . A 69 VAL H . 34490 1 830 . 1 . 1 69 69 VAL HA H 1 4.116 0.002 . . . . . . A 69 VAL HA . 34490 1 831 . 1 . 1 69 69 VAL HB H 1 1.622 0.004 . . . . . . A 69 VAL HB . 34490 1 832 . 1 . 1 69 69 VAL HG11 H 1 0.533 0.002 . . . . . . A 69 VAL HG11 . 34490 1 833 . 1 . 1 69 69 VAL HG12 H 1 0.533 0.002 . . . . . . A 69 VAL HG12 . 34490 1 834 . 1 . 1 69 69 VAL HG13 H 1 0.533 0.002 . . . . . . A 69 VAL HG13 . 34490 1 835 . 1 . 1 69 69 VAL HG21 H 1 0.516 0.001 . . . . . . A 69 VAL HG21 . 34490 1 836 . 1 . 1 69 69 VAL HG22 H 1 0.516 0.001 . . . . . . A 69 VAL HG22 . 34490 1 837 . 1 . 1 69 69 VAL HG23 H 1 0.516 0.001 . . . . . . A 69 VAL HG23 . 34490 1 838 . 1 . 1 69 69 VAL C C 13 175.065 0.005 . . . . . . A 69 VAL C . 34490 1 839 . 1 . 1 69 69 VAL CA C 13 61.333 0.028 . . . . . . A 69 VAL CA . 34490 1 840 . 1 . 1 69 69 VAL CB C 13 32.316 0.047 . . . . . . A 69 VAL CB . 34490 1 841 . 1 . 1 69 69 VAL CG1 C 13 21.520 0.054 . . . . . . A 69 VAL CG1 . 34490 1 842 . 1 . 1 69 69 VAL CG2 C 13 21.036 0.065 . . . . . . A 69 VAL CG2 . 34490 1 843 . 1 . 1 69 69 VAL N N 15 118.372 0.050 . . . . . . A 69 VAL N . 34490 1 844 . 1 . 1 70 70 ASN H H 1 8.824 0.001 . . . . . . A 70 ASN H . 34490 1 845 . 1 . 1 70 70 ASN HA H 1 4.533 0.004 . . . . . . A 70 ASN HA . 34490 1 846 . 1 . 1 70 70 ASN HB2 H 1 2.890 0.003 . . . . . . A 70 ASN HB2 . 34490 1 847 . 1 . 1 70 70 ASN HB3 H 1 2.652 0.003 . . . . . . A 70 ASN HB3 . 34490 1 848 . 1 . 1 70 70 ASN HD21 H 1 7.501 0.000 . . . . . . A 70 ASN HD21 . 34490 1 849 . 1 . 1 70 70 ASN HD22 H 1 6.896 0.003 . . . . . . A 70 ASN HD22 . 34490 1 850 . 1 . 1 70 70 ASN C C 13 174.165 0.003 . . . . . . A 70 ASN C . 34490 1 851 . 1 . 1 70 70 ASN CA C 13 53.039 0.039 . . . . . . A 70 ASN CA . 34490 1 852 . 1 . 1 70 70 ASN CB C 13 39.530 0.042 . . . . . . A 70 ASN CB . 34490 1 853 . 1 . 1 70 70 ASN CG C 13 176.544 0.014 . . . . . . A 70 ASN CG . 34490 1 854 . 1 . 1 70 70 ASN N N 15 126.983 0.045 . . . . . . A 70 ASN N . 34490 1 855 . 1 . 1 70 70 ASN ND2 N 15 112.354 0.022 . . . . . . A 70 ASN ND2 . 34490 1 856 . 1 . 1 71 71 ASP H H 1 8.440 0.001 . . . . . . A 71 ASP H . 34490 1 857 . 1 . 1 71 71 ASP HA H 1 4.056 0.001 . . . . . . A 71 ASP HA . 34490 1 858 . 1 . 1 71 71 ASP HB2 H 1 2.584 0.000 . . . . . . A 71 ASP HB2 . 34490 1 859 . 1 . 1 71 71 ASP HB3 H 1 2.436 0.000 . . . . . . A 71 ASP HB3 . 34490 1 860 . 1 . 1 71 71 ASP C C 13 181.303 0.000 . . . . . . A 71 ASP C . 34490 1 861 . 1 . 1 71 71 ASP CA C 13 58.596 0.052 . . . . . . A 71 ASP CA . 34490 1 862 . 1 . 1 71 71 ASP CB C 13 41.365 0.012 . . . . . . A 71 ASP CB . 34490 1 863 . 1 . 1 71 71 ASP N N 15 125.324 0.044 . . . . . . A 71 ASP N . 34490 1 stop_ save_