data_27453 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27453 _Entry.Title ; NMR resonance assignments for an Legionella pneumophila ProQ-homolog ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-04-16 _Entry.Accession_date 2018-04-16 _Entry.Last_release_date 2018-04-16 _Entry.Original_release_date 2018-04-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Carina Immer . . . . 27453 2 Carolin Hacker . . . . 27453 3 Jens Woehnert . . . . 27453 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Goether Universit t Frankfurt am Main' . 27453 2 . 'Center for Biomolecular Magnetic Resonance (BMRZ)' . 27453 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27453 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 530 27453 '15N chemical shifts' 121 27453 '1H chemical shifts' 820 27453 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-02-19 2018-04-16 update BMRB 'update entry citation' 27453 1 . . 2018-09-18 2018-04-16 original author 'original release' 27453 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27453 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29934867 _Citation.Full_citation . _Citation.Title ; NMR resonance assignments for a ProQ homolog from Legionella pneumophila ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 319 _Citation.Page_last 322 _Citation.Year 2018 _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 Carina Immer . . . . 27453 1 2 Carolin Hacker . . . . 27453 1 3 Jens Woehnert . . . . 27453 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR-assignments 27453 1 'ProQ/FinO domain' 27453 1 'RNA-binding proteins' 27453 1 'posttranscriptional regulation' 27453 1 sRNA 27453 1 'triple resonance experiments' 27453 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27453 _Assembly.ID 1 _Assembly.Name Lpp1663 _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 Lpp1663 1 $Lpp1663 A . yes native no no . . . 27453 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Lpp1663 _Entity.Sf_category entity _Entity.Sf_framecode Lpp1663 _Entity.Entry_ID 27453 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Lpp1663 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSNQQLNATKKDKLQVIDWL IENFPNAFFKKGNQVKPLKI GIFDDLIDFYERLDTPPFSK KSLREALSYYSASPAYLSCQ KPDTARVDIYGNEVDVVTPE QAKYAYQRYQERYGNKKSQD LK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14151 _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 . GLY . 27453 1 2 . SER . 27453 1 3 . ASN . 27453 1 4 . GLN . 27453 1 5 . GLN . 27453 1 6 . LEU . 27453 1 7 . ASN . 27453 1 8 . ALA . 27453 1 9 . THR . 27453 1 10 . LYS . 27453 1 11 . LYS . 27453 1 12 . ASP . 27453 1 13 . LYS . 27453 1 14 . LEU . 27453 1 15 . GLN . 27453 1 16 . VAL . 27453 1 17 . ILE . 27453 1 18 . ASP . 27453 1 19 . TRP . 27453 1 20 . LEU . 27453 1 21 . ILE . 27453 1 22 . GLU . 27453 1 23 . ASN . 27453 1 24 . PHE . 27453 1 25 . PRO . 27453 1 26 . ASN . 27453 1 27 . ALA . 27453 1 28 . PHE . 27453 1 29 . PHE . 27453 1 30 . LYS . 27453 1 31 . LYS . 27453 1 32 . GLY . 27453 1 33 . ASN . 27453 1 34 . GLN . 27453 1 35 . VAL . 27453 1 36 . LYS . 27453 1 37 . PRO . 27453 1 38 . LEU . 27453 1 39 . LYS . 27453 1 40 . ILE . 27453 1 41 . GLY . 27453 1 42 . ILE . 27453 1 43 . PHE . 27453 1 44 . ASP . 27453 1 45 . ASP . 27453 1 46 . LEU . 27453 1 47 . ILE . 27453 1 48 . ASP . 27453 1 49 . PHE . 27453 1 50 . TYR . 27453 1 51 . GLU . 27453 1 52 . ARG . 27453 1 53 . LEU . 27453 1 54 . ASP . 27453 1 55 . THR . 27453 1 56 . PRO . 27453 1 57 . PRO . 27453 1 58 . PHE . 27453 1 59 . SER . 27453 1 60 . LYS . 27453 1 61 . LYS . 27453 1 62 . SER . 27453 1 63 . LEU . 27453 1 64 . ARG . 27453 1 65 . GLU . 27453 1 66 . ALA . 27453 1 67 . LEU . 27453 1 68 . SER . 27453 1 69 . TYR . 27453 1 70 . TYR . 27453 1 71 . SER . 27453 1 72 . ALA . 27453 1 73 . SER . 27453 1 74 . PRO . 27453 1 75 . ALA . 27453 1 76 . TYR . 27453 1 77 . LEU . 27453 1 78 . SER . 27453 1 79 . CYS . 27453 1 80 . GLN . 27453 1 81 . LYS . 27453 1 82 . PRO . 27453 1 83 . ASP . 27453 1 84 . THR . 27453 1 85 . ALA . 27453 1 86 . ARG . 27453 1 87 . VAL . 27453 1 88 . ASP . 27453 1 89 . ILE . 27453 1 90 . TYR . 27453 1 91 . GLY . 27453 1 92 . ASN . 27453 1 93 . GLU . 27453 1 94 . VAL . 27453 1 95 . ASP . 27453 1 96 . VAL . 27453 1 97 . VAL . 27453 1 98 . THR . 27453 1 99 . PRO . 27453 1 100 . GLU . 27453 1 101 . GLN . 27453 1 102 . ALA . 27453 1 103 . LYS . 27453 1 104 . TYR . 27453 1 105 . ALA . 27453 1 106 . TYR . 27453 1 107 . GLN . 27453 1 108 . ARG . 27453 1 109 . TYR . 27453 1 110 . GLN . 27453 1 111 . GLU . 27453 1 112 . ARG . 27453 1 113 . TYR . 27453 1 114 . GLY . 27453 1 115 . ASN . 27453 1 116 . LYS . 27453 1 117 . LYS . 27453 1 118 . SER . 27453 1 119 . GLN . 27453 1 120 . ASP . 27453 1 121 . LEU . 27453 1 122 . LYS . 27453 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27453 1 . SER 2 2 27453 1 . ASN 3 3 27453 1 . GLN 4 4 27453 1 . GLN 5 5 27453 1 . LEU 6 6 27453 1 . ASN 7 7 27453 1 . ALA 8 8 27453 1 . THR 9 9 27453 1 . LYS 10 10 27453 1 . LYS 11 11 27453 1 . ASP 12 12 27453 1 . LYS 13 13 27453 1 . LEU 14 14 27453 1 . GLN 15 15 27453 1 . VAL 16 16 27453 1 . ILE 17 17 27453 1 . ASP 18 18 27453 1 . TRP 19 19 27453 1 . LEU 20 20 27453 1 . ILE 21 21 27453 1 . GLU 22 22 27453 1 . ASN 23 23 27453 1 . PHE 24 24 27453 1 . PRO 25 25 27453 1 . ASN 26 26 27453 1 . ALA 27 27 27453 1 . PHE 28 28 27453 1 . PHE 29 29 27453 1 . LYS 30 30 27453 1 . LYS 31 31 27453 1 . GLY 32 32 27453 1 . ASN 33 33 27453 1 . GLN 34 34 27453 1 . VAL 35 35 27453 1 . LYS 36 36 27453 1 . PRO 37 37 27453 1 . LEU 38 38 27453 1 . LYS 39 39 27453 1 . ILE 40 40 27453 1 . GLY 41 41 27453 1 . ILE 42 42 27453 1 . PHE 43 43 27453 1 . ASP 44 44 27453 1 . ASP 45 45 27453 1 . LEU 46 46 27453 1 . ILE 47 47 27453 1 . ASP 48 48 27453 1 . PHE 49 49 27453 1 . TYR 50 50 27453 1 . GLU 51 51 27453 1 . ARG 52 52 27453 1 . LEU 53 53 27453 1 . ASP 54 54 27453 1 . THR 55 55 27453 1 . PRO 56 56 27453 1 . PRO 57 57 27453 1 . PHE 58 58 27453 1 . SER 59 59 27453 1 . LYS 60 60 27453 1 . LYS 61 61 27453 1 . SER 62 62 27453 1 . LEU 63 63 27453 1 . ARG 64 64 27453 1 . GLU 65 65 27453 1 . ALA 66 66 27453 1 . LEU 67 67 27453 1 . SER 68 68 27453 1 . TYR 69 69 27453 1 . TYR 70 70 27453 1 . SER 71 71 27453 1 . ALA 72 72 27453 1 . SER 73 73 27453 1 . PRO 74 74 27453 1 . ALA 75 75 27453 1 . TYR 76 76 27453 1 . LEU 77 77 27453 1 . SER 78 78 27453 1 . CYS 79 79 27453 1 . GLN 80 80 27453 1 . LYS 81 81 27453 1 . PRO 82 82 27453 1 . ASP 83 83 27453 1 . THR 84 84 27453 1 . ALA 85 85 27453 1 . ARG 86 86 27453 1 . VAL 87 87 27453 1 . ASP 88 88 27453 1 . ILE 89 89 27453 1 . TYR 90 90 27453 1 . GLY 91 91 27453 1 . ASN 92 92 27453 1 . GLU 93 93 27453 1 . VAL 94 94 27453 1 . ASP 95 95 27453 1 . VAL 96 96 27453 1 . VAL 97 97 27453 1 . THR 98 98 27453 1 . PRO 99 99 27453 1 . GLU 100 100 27453 1 . GLN 101 101 27453 1 . ALA 102 102 27453 1 . LYS 103 103 27453 1 . TYR 104 104 27453 1 . ALA 105 105 27453 1 . TYR 106 106 27453 1 . GLN 107 107 27453 1 . ARG 108 108 27453 1 . TYR 109 109 27453 1 . GLN 110 110 27453 1 . GLU 111 111 27453 1 . ARG 112 112 27453 1 . TYR 113 113 27453 1 . GLY 114 114 27453 1 . ASN 115 115 27453 1 . LYS 116 116 27453 1 . LYS 117 117 27453 1 . SER 118 118 27453 1 . GLN 119 119 27453 1 . ASP 120 120 27453 1 . LEU 121 121 27453 1 . LYS 122 122 27453 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 27453 _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 $Lpp1663 . 446 organism . 'Legionella pneumophila' 'Legionella pneumophila' . . Bacteria . Legionella pneumophila . . . . . . . . . . . . . 27453 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 27453 _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 $Lpp1663 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 'DE3 Gold' . . . . pET11a . . . 27453 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 27453 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lpp1663 [U-15N] . . 1 $Lpp1663 . . 400 . . uM . . . . 27453 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27453 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27453 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27453 1 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 27453 1 6 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 27453 1 stop_ save_ save_13C15N _Sample.Sf_category sample _Sample.Sf_framecode 13C15N _Sample.Entry_ID 27453 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lpp1663 '[U-13C; U-15N]' . . 1 $Lpp1663 . . 400 . . uM . . . . 27453 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27453 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27453 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27453 2 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 27453 2 6 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 27453 2 stop_ save_ save_15N_Lys _Sample.Sf_category sample _Sample.Sf_framecode 15N_Lys _Sample.Entry_ID 27453 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lpp1663 [U-15N]-Lys . . 1 $Lpp1663 . . 400 . . uM . . . . 27453 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27453 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27453 3 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27453 3 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 27453 3 6 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 27453 3 stop_ save_ save_15N_Tyr _Sample.Sf_category sample _Sample.Sf_framecode 15N_Tyr _Sample.Entry_ID 27453 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lpp1663 [U-15N]-Tyr . . 1 $Lpp1663 . . 400 . . uM . . . . 27453 4 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27453 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27453 4 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27453 4 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 27453 4 6 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 27453 4 stop_ save_ save_15N_Phe_13C_Pro _Sample.Sf_category sample _Sample.Sf_framecode 15N_Phe_13C_Pro _Sample.Entry_ID 27453 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lpp1663 '[U-15N]-Phe [U-13C]-Pro' . . 1 $Lpp1663 . . 400 . . uM . . . . 27453 5 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27453 5 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27453 5 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27453 5 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 27453 5 6 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 27453 5 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 27453 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 27453 1 pH 6.5 . pH 27453 1 pressure 1 . atm 27453 1 temperature 298 . K 27453 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27453 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27453 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27453 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27453 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27453 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27453 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_MHz _NMR_spectrometer.Entry_ID 27453 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryogenic triple resonance probes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_700_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700_MHz _NMR_spectrometer.Entry_ID 27453 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_800_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800_MHz _NMR_spectrometer.Entry_ID 27453 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27453 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 600_MHz Bruker Avance . 600 'cryogenic triple resonance probes' . . 27453 1 2 700_MHz Bruker Avance . 700 . . . 27453 1 3 800_MHz Bruker Avance . 800 . . . 27453 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 27453 _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 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 27453 1 2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $800_MHz . . . . . . . . . . . . . . . . 27453 1 3 '3D HNCO' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 27453 1 4 '3D HCACO' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 27453 1 5 '3D HNCACB' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 27453 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 27453 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 27453 1 8 '3D H(CCO)NH' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 27453 1 9 '3D C(CO)NH' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 27453 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . 2 $700_MHz . . . . . . . . . . . . . . . . 27453 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $800_MHz . . . . . . . . . . . . . . . . 27453 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $800_MHz . . . . . . . . . . . . . . . . 27453 1 13 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $800_MHz . . . . . . . . . . . . . . . . 27453 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $15N_Lys isotropic . . 1 $sample_conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 27453 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $15N_Tyr isotropic . . 1 $sample_conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 27453 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $15N_Phe_13C_Pro isotropic . . 1 $sample_conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 27453 1 17 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $15N_Phe_13C_Pro isotropic . . 1 $sample_conditions_1 . . . 1 $600_MHz . . . . . . . . . . . . . . . . 27453 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27453 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27453 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27453 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27453 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27453 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27453 1 2 '2D 1H-13C HSQC aromatic' . . . 27453 1 3 '3D HNCO' . . . 27453 1 4 '3D HCACO' . . . 27453 1 5 '3D HNCACB' . . . 27453 1 6 '3D HBHA(CO)NH' . . . 27453 1 7 '3D HCCH-TOCSY' . . . 27453 1 8 '3D H(CCO)NH' . . . 27453 1 9 '3D C(CO)NH' . . . 27453 1 10 '3D 1H-15N NOESY' . . . 27453 1 11 '3D 1H-13C NOESY aliphatic' . . . 27453 1 12 '3D 1H-13C NOESY aromatic' . . . 27453 1 13 '2D 1H-13C HSQC aliphatic' . . . 27453 1 14 '2D 1H-15N HSQC' . . . 27453 1 15 '2D 1H-15N HSQC' . . . 27453 1 16 '2D 1H-15N HSQC' . . . 27453 1 17 '2D 1H-13C HSQC' . . . 27453 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ASN HA H 1 4.71 0.02 . 1 . . . . . 3 ASN HA . 27453 1 2 . 1 1 3 3 ASN HB2 H 1 2.856 0.02 . 2 . . . . . 3 ASN HB2 . 27453 1 3 . 1 1 3 3 ASN HB3 H 1 2.815 0.02 . 2 . . . . . 3 ASN HB3 . 27453 1 4 . 1 1 3 3 ASN C C 13 175.424 0.3 . 2 . . . . . 3 ASN C . 27453 1 5 . 1 1 3 3 ASN CA C 13 53.337 0.3 . 1 . . . . . 3 ASN CA . 27453 1 6 . 1 1 3 3 ASN CB C 13 38.532 0.3 . 1 . . . . . 3 ASN CB . 27453 1 7 . 1 1 4 4 GLN H H 1 8.403 0.02 . 1 . . . . . 4 GLN H . 27453 1 8 . 1 1 4 4 GLN HA H 1 4.289 0.02 . 1 . . . . . 4 GLN HA . 27453 1 9 . 1 1 4 4 GLN HB2 H 1 2.109 0.02 . 2 . . . . . 4 GLN HB2 . 27453 1 10 . 1 1 4 4 GLN HB3 H 1 1.987 0.02 . 2 . . . . . 4 GLN HB3 . 27453 1 11 . 1 1 4 4 GLN HG2 H 1 2.36 0.02 . 1 . . . . . 4 GLN HG2 . 27453 1 12 . 1 1 4 4 GLN HG3 H 1 2.36 0.02 . 1 . . . . . 4 GLN HG3 . 27453 1 13 . 1 1 4 4 GLN HE21 H 1 6.873 0.02 . 1 . . . . . 4 GLN HE21 . 27453 1 14 . 1 1 4 4 GLN HE22 H 1 7.549 0.02 . 1 . . . . . 4 GLN HE22 . 27453 1 15 . 1 1 4 4 GLN C C 13 176.111 0.3 . 1 . . . . . 4 GLN C . 27453 1 16 . 1 1 4 4 GLN CA C 13 56.282 0.3 . 1 . . . . . 4 GLN CA . 27453 1 17 . 1 1 4 4 GLN CB C 13 29.096 0.3 . 1 . . . . . 4 GLN CB . 27453 1 18 . 1 1 4 4 GLN CG C 13 33.848 0.3 . 1 . . . . . 4 GLN CG . 27453 1 19 . 1 1 4 4 GLN N N 15 120.609 0.3 . 1 . . . . . 4 GLN N . 27453 1 20 . 1 1 4 4 GLN NE2 N 15 112.491 0.3 . 1 . . . . . 4 GLN NE2 . 27453 1 21 . 1 1 5 5 GLN H H 1 8.402 0.02 . 1 . . . . . 5 GLN H . 27453 1 22 . 1 1 5 5 GLN HA H 1 4.298 0.02 . 1 . . . . . 5 GLN HA . 27453 1 23 . 1 1 5 5 GLN HB2 H 1 2.111 0.02 . 2 . . . . . 5 GLN HB2 . 27453 1 24 . 1 1 5 5 GLN HB3 H 1 1.987 0.02 . 2 . . . . . 5 GLN HB3 . 27453 1 25 . 1 1 5 5 GLN HG2 H 1 2.355 0.02 . 1 . . . . . 5 GLN HG2 . 27453 1 26 . 1 1 5 5 GLN HG3 H 1 2.355 0.02 . 1 . . . . . 5 GLN HG3 . 27453 1 27 . 1 1 5 5 GLN C C 13 176.156 0.3 . 1 . . . . . 5 GLN C . 27453 1 28 . 1 1 5 5 GLN CA C 13 56.075 0.3 . 1 . . . . . 5 GLN CA . 27453 1 29 . 1 1 5 5 GLN CB C 13 29.178 0.3 . 1 . . . . . 5 GLN CB . 27453 1 30 . 1 1 5 5 GLN CG C 13 33.759 0.3 . 1 . . . . . 5 GLN CG . 27453 1 31 . 1 1 5 5 GLN NE2 N 15 112.491 0.3 . 1 . . . . . 5 GLN NE2 . 27453 1 32 . 1 1 5 5 GLN HE22 H 1 7.549 0.02 . 1 . . . . . 5 GLN HE22 . 27453 1 33 . 1 1 5 5 GLN HE21 H 1 6.873 0.02 . 1 . . . . . 5 GLN HE21 . 27453 1 34 . 1 1 5 5 GLN N N 15 121.198 0.3 . 1 . . . . . 5 GLN N . 27453 1 35 . 1 1 6 6 LEU H H 1 8.235 0.02 . 1 . . . . . 6 LEU H . 27453 1 36 . 1 1 6 6 LEU HA H 1 4.297 0.02 . 1 . . . . . 6 LEU HA . 27453 1 37 . 1 1 6 6 LEU HB2 H 1 1.586 0.02 . 1 . . . . . 6 LEU HB2 . 27453 1 38 . 1 1 6 6 LEU HB3 H 1 1.586 0.02 . 1 . . . . . 6 LEU HB3 . 27453 1 39 . 1 1 6 6 LEU HG H 1 1.594 0.02 . 1 . . . . . 6 LEU HG . 27453 1 40 . 1 1 6 6 LEU HD11 H 1 0.914 0.02 . 2 . . . . . 6 LEU HD1 . 27453 1 41 . 1 1 6 6 LEU HD12 H 1 0.914 0.02 . 2 . . . . . 6 LEU HD1 . 27453 1 42 . 1 1 6 6 LEU HD13 H 1 0.914 0.02 . 2 . . . . . 6 LEU HD1 . 27453 1 43 . 1 1 6 6 LEU HD21 H 1 0.859 0.02 . 2 . . . . . 6 LEU HD2 . 27453 1 44 . 1 1 6 6 LEU HD22 H 1 0.859 0.02 . 2 . . . . . 6 LEU HD2 . 27453 1 45 . 1 1 6 6 LEU HD23 H 1 0.859 0.02 . 2 . . . . . 6 LEU HD2 . 27453 1 46 . 1 1 6 6 LEU C C 13 177.291 0.3 . 1 . . . . . 6 LEU C . 27453 1 47 . 1 1 6 6 LEU CA C 13 55.565 0.3 . 1 . . . . . 6 LEU CA . 27453 1 48 . 1 1 6 6 LEU CB C 13 42.24 0.3 . 1 . . . . . 6 LEU CB . 27453 1 49 . 1 1 6 6 LEU CG C 13 26.898 0.3 . 1 . . . . . 6 LEU CG . 27453 1 50 . 1 1 6 6 LEU CD1 C 13 24.956 0.3 . 1 . . . . . 6 LEU CD1 . 27453 1 51 . 1 1 6 6 LEU CD2 C 13 23.451 0.3 . 1 . . . . . 6 LEU CD2 . 27453 1 52 . 1 1 6 6 LEU N N 15 123.117 0.3 . 1 . . . . . 6 LEU N . 27453 1 53 . 1 1 7 7 ASN H H 1 8.399 0.02 . 1 . . . . . 7 ASN H . 27453 1 54 . 1 1 7 7 ASN HA H 1 4.667 0.02 . 1 . . . . . 7 ASN HA . 27453 1 55 . 1 1 7 7 ASN HB2 H 1 2.807 0.02 . 2 . . . . . 7 ASN HB2 . 27453 1 56 . 1 1 7 7 ASN HB3 H 1 2.757 0.02 . 2 . . . . . 7 ASN HB3 . 27453 1 57 . 1 1 7 7 ASN HD21 H 1 7.622 0.02 . 1 . . . . . 7 ASN HD21 . 27453 1 58 . 1 1 7 7 ASN HD22 H 1 6.945 0.02 . 1 . . . . . 7 ASN HD22 . 27453 1 59 . 1 1 7 7 ASN C C 13 175.075 0.3 . 1 . . . . . 7 ASN C . 27453 1 60 . 1 1 7 7 ASN CA C 13 53.327 0.3 . 1 . . . . . 7 ASN CA . 27453 1 61 . 1 1 7 7 ASN CB C 13 38.758 0.3 . 1 . . . . . 7 ASN CB . 27453 1 62 . 1 1 7 7 ASN N N 15 119.116 0.3 . 1 . . . . . 7 ASN N . 27453 1 63 . 1 1 7 7 ASN ND2 N 15 112.991 0.3 . 1 . . . . . 7 ASN ND2 . 27453 1 64 . 1 1 8 8 ALA H H 1 8.259 0.02 . 1 . . . . . 8 ALA H . 27453 1 65 . 1 1 8 8 ALA HA H 1 4.346 0.02 . 1 . . . . . 8 ALA HA . 27453 1 66 . 1 1 8 8 ALA HB1 H 1 1.395 0.02 . 1 . . . . . 8 ALA HB . 27453 1 67 . 1 1 8 8 ALA HB2 H 1 1.395 0.02 . 1 . . . . . 8 ALA HB . 27453 1 68 . 1 1 8 8 ALA HB3 H 1 1.395 0.02 . 1 . . . . . 8 ALA HB . 27453 1 69 . 1 1 8 8 ALA C C 13 178.03 0.3 . 1 . . . . . 8 ALA C . 27453 1 70 . 1 1 8 8 ALA CA C 13 52.861 0.3 . 1 . . . . . 8 ALA CA . 27453 1 71 . 1 1 8 8 ALA CB C 13 19.15 0.3 . 1 . . . . . 8 ALA CB . 27453 1 72 . 1 1 8 8 ALA N N 15 124.24 0.3 . 1 . . . . . 8 ALA N . 27453 1 73 . 1 1 9 9 THR H H 1 8.173 0.02 . 1 . . . . . 9 THR H . 27453 1 74 . 1 1 9 9 THR HA H 1 4.295 0.02 . 1 . . . . . 9 THR HA . 27453 1 75 . 1 1 9 9 THR HB H 1 4.248 0.02 . 1 . . . . . 9 THR HB . 27453 1 76 . 1 1 9 9 THR HG21 H 1 1.225 0.02 . 1 . . . . . 9 THR HG2 . 27453 1 77 . 1 1 9 9 THR HG22 H 1 1.225 0.02 . 1 . . . . . 9 THR HG2 . 27453 1 78 . 1 1 9 9 THR HG23 H 1 1.225 0.02 . 1 . . . . . 9 THR HG2 . 27453 1 79 . 1 1 9 9 THR C C 13 174.794 0.3 . 1 . . . . . 9 THR C . 27453 1 80 . 1 1 9 9 THR CA C 13 62.15 0.3 . 1 . . . . . 9 THR CA . 27453 1 81 . 1 1 9 9 THR CB C 13 69.927 0.3 . 1 . . . . . 9 THR CB . 27453 1 82 . 1 1 9 9 THR CG2 C 13 21.737 0.3 . 1 . . . . . 9 THR CG2 . 27453 1 83 . 1 1 9 9 THR N N 15 113.073 0.3 . 1 . . . . . 9 THR N . 27453 1 84 . 1 1 10 10 LYS H H 1 8.296 0.02 . 1 . . . . . 10 LYS H . 27453 1 85 . 1 1 10 10 LYS HA H 1 4.261 0.02 . 1 . . . . . 10 LYS HA . 27453 1 86 . 1 1 10 10 LYS HB2 H 1 1.806 0.02 . 2 . . . . . 10 LYS HB2 . 27453 1 87 . 1 1 10 10 LYS HB3 H 1 1.759 0.02 . 2 . . . . . 10 LYS HB3 . 27453 1 88 . 1 1 10 10 LYS HG2 H 1 1.446 0.02 . 2 . . . . . 10 LYS HG2 . 27453 1 89 . 1 1 10 10 LYS HG3 H 1 1.379 0.02 . 2 . . . . . 10 LYS HG3 . 27453 1 90 . 1 1 10 10 LYS HD2 H 1 1.666 0.02 . 1 . . . . . 10 LYS HD2 . 27453 1 91 . 1 1 10 10 LYS HD3 H 1 1.666 0.02 . 1 . . . . . 10 LYS HD3 . 27453 1 92 . 1 1 10 10 LYS HE2 H 1 2.991 0.02 . 1 . . . . . 10 LYS HE2 . 27453 1 93 . 1 1 10 10 LYS HE3 H 1 2.991 0.02 . 1 . . . . . 10 LYS HE3 . 27453 1 94 . 1 1 10 10 LYS C C 13 176.661 0.3 . 1 . . . . . 10 LYS C . 27453 1 95 . 1 1 10 10 LYS CA C 13 56.814 0.3 . 1 . . . . . 10 LYS CA . 27453 1 96 . 1 1 10 10 LYS CB C 13 32.859 0.3 . 1 . . . . . 10 LYS CB . 27453 1 97 . 1 1 10 10 LYS CG C 13 24.805 0.3 . 1 . . . . . 10 LYS CG . 27453 1 98 . 1 1 10 10 LYS CD C 13 29.09 0.3 . 1 . . . . . 10 LYS CD . 27453 1 99 . 1 1 10 10 LYS CE C 13 42.044 0.3 . 1 . . . . . 10 LYS CE . 27453 1 100 . 1 1 10 10 LYS N N 15 123.63 0.3 . 1 . . . . . 10 LYS N . 27453 1 101 . 1 1 11 11 LYS H H 1 8.284 0.02 . 1 . . . . . 11 LYS H . 27453 1 102 . 1 1 11 11 LYS HA H 1 4.295 0.02 . 1 . . . . . 11 LYS HA . 27453 1 103 . 1 1 11 11 LYS HB2 H 1 1.762 0.02 . 1 . . . . . 11 LYS HB2 . 27453 1 104 . 1 1 11 11 LYS HB3 H 1 1.762 0.02 . 1 . . . . . 11 LYS HB3 . 27453 1 105 . 1 1 11 11 LYS HG2 H 1 1.528 0.02 . 2 . . . . . 11 LYS HG2 . 27453 1 106 . 1 1 11 11 LYS HG3 H 1 1.433 0.02 . 2 . . . . . 11 LYS HG3 . 27453 1 107 . 1 1 11 11 LYS HD2 H 1 1.656 0.02 . 1 . . . . . 11 LYS HD2 . 27453 1 108 . 1 1 11 11 LYS HD3 H 1 1.656 0.02 . 1 . . . . . 11 LYS HD3 . 27453 1 109 . 1 1 11 11 LYS HE2 H 1 2.82 0.02 . 1 . . . . . 11 LYS HE2 . 27453 1 110 . 1 1 11 11 LYS HE3 H 1 2.82 0.02 . 1 . . . . . 11 LYS HE3 . 27453 1 111 . 1 1 11 11 LYS C C 13 176.632 0.3 . 1 . . . . . 11 LYS C . 27453 1 112 . 1 1 11 11 LYS CA C 13 56.857 0.3 . 1 . . . . . 11 LYS CA . 27453 1 113 . 1 1 11 11 LYS CB C 13 33.296 0.3 . 1 . . . . . 11 LYS CB . 27453 1 114 . 1 1 11 11 LYS CG C 13 25.024 0.3 . 1 . . . . . 11 LYS CG . 27453 1 115 . 1 1 11 11 LYS CD C 13 29.12 0.3 . 1 . . . . . 11 LYS CD . 27453 1 116 . 1 1 11 11 LYS CE C 13 42.342 0.3 . 1 . . . . . 11 LYS CE . 27453 1 117 . 1 1 11 11 LYS N N 15 121.595 0.3 . 1 . . . . . 11 LYS N . 27453 1 118 . 1 1 12 12 ASP H H 1 8.232 0.02 . 1 . . . . . 12 ASP H . 27453 1 119 . 1 1 12 12 ASP HA H 1 4.54 0.02 . 1 . . . . . 12 ASP HA . 27453 1 120 . 1 1 12 12 ASP HB2 H 1 2.826 0.02 . 2 . . . . . 12 ASP HB2 . 27453 1 121 . 1 1 12 12 ASP HB3 H 1 2.674 0.02 . 2 . . . . . 12 ASP HB3 . 27453 1 122 . 1 1 12 12 ASP C C 13 177.191 0.3 . 1 . . . . . 12 ASP C . 27453 1 123 . 1 1 12 12 ASP CA C 13 54.449 0.3 . 1 . . . . . 12 ASP CA . 27453 1 124 . 1 1 12 12 ASP CB C 13 41.775 0.3 . 1 . . . . . 12 ASP CB . 27453 1 125 . 1 1 12 12 ASP N N 15 121.191 0.3 . 1 . . . . . 12 ASP N . 27453 1 126 . 1 1 13 13 LYS H H 1 8.265 0.02 . 1 . . . . . 13 LYS H . 27453 1 127 . 1 1 13 13 LYS HA H 1 4.31 0.02 . 1 . . . . . 13 LYS HA . 27453 1 128 . 1 1 13 13 LYS HB2 H 1 1.676 0.02 . 2 . . . . . 13 LYS HB2 . 27453 1 129 . 1 1 13 13 LYS HB3 H 1 1.548 0.02 . 2 . . . . . 13 LYS HB3 . 27453 1 130 . 1 1 13 13 LYS HG2 H 1 1.581 0.02 . 1 . . . . . 13 LYS HG2 . 27453 1 131 . 1 1 13 13 LYS HG3 H 1 1.581 0.02 . 1 . . . . . 13 LYS HG3 . 27453 1 132 . 1 1 13 13 LYS HD2 H 1 1.657 0.02 . 2 . . . . . 13 LYS HD2 . 27453 1 133 . 1 1 13 13 LYS HD3 H 1 1.738 0.02 . 2 . . . . . 13 LYS HD3 . 27453 1 134 . 1 1 13 13 LYS HE2 H 1 3.03 0.02 . 1 . . . . . 13 LYS HE2 . 27453 1 135 . 1 1 13 13 LYS HE3 H 1 3.03 0.02 . 1 . . . . . 13 LYS HE3 . 27453 1 136 . 1 1 13 13 LYS C C 13 177.561 0.3 . 1 . . . . . 13 LYS C . 27453 1 137 . 1 1 13 13 LYS CA C 13 58.836 0.3 . 1 . . . . . 13 LYS CA . 27453 1 138 . 1 1 13 13 LYS CB C 13 32.491 0.3 . 1 . . . . . 13 LYS CB . 27453 1 139 . 1 1 13 13 LYS CG C 13 25.082 0.3 . 1 . . . . . 13 LYS CG . 27453 1 140 . 1 1 13 13 LYS CD C 13 29.091 0.3 . 1 . . . . . 13 LYS CD . 27453 1 141 . 1 1 13 13 LYS CE C 13 42.03 0.3 . 1 . . . . . 13 LYS CE . 27453 1 142 . 1 1 13 13 LYS N N 15 119.399 0.3 . 1 . . . . . 13 LYS N . 27453 1 143 . 1 1 14 14 LEU H H 1 8.01 0.02 . 1 . . . . . 14 LEU H . 27453 1 144 . 1 1 14 14 LEU HA H 1 4.064 0.02 . 1 . . . . . 14 LEU HA . 27453 1 145 . 1 1 14 14 LEU HB2 H 1 1.874 0.02 . 2 . . . . . 14 LEU HB2 . 27453 1 146 . 1 1 14 14 LEU HB3 H 1 1.557 0.02 . 2 . . . . . 14 LEU HB3 . 27453 1 147 . 1 1 14 14 LEU HG H 1 1.618 0.02 . 1 . . . . . 14 LEU HG . 27453 1 148 . 1 1 14 14 LEU HD11 H 1 0.923 0.02 . 2 . . . . . 14 LEU HD1 . 27453 1 149 . 1 1 14 14 LEU HD12 H 1 0.923 0.02 . 2 . . . . . 14 LEU HD1 . 27453 1 150 . 1 1 14 14 LEU HD13 H 1 0.923 0.02 . 2 . . . . . 14 LEU HD1 . 27453 1 151 . 1 1 14 14 LEU HD21 H 1 0.794 0.02 . 2 . . . . . 14 LEU HD2 . 27453 1 152 . 1 1 14 14 LEU HD22 H 1 0.794 0.02 . 2 . . . . . 14 LEU HD2 . 27453 1 153 . 1 1 14 14 LEU HD23 H 1 0.794 0.02 . 2 . . . . . 14 LEU HD2 . 27453 1 154 . 1 1 14 14 LEU C C 13 179.667 0.3 . 1 . . . . . 14 LEU C . 27453 1 155 . 1 1 14 14 LEU CA C 13 57.406 0.3 . 1 . . . . . 14 LEU CA . 27453 1 156 . 1 1 14 14 LEU CB C 13 40.486 0.3 . 1 . . . . . 14 LEU CB . 27453 1 157 . 1 1 14 14 LEU CG C 13 27.303 0.3 . 1 . . . . . 14 LEU CG . 27453 1 158 . 1 1 14 14 LEU CD1 C 13 24.993 0.3 . 1 . . . . . 14 LEU CD1 . 27453 1 159 . 1 1 14 14 LEU CD2 C 13 22.537 0.3 . 1 . . . . . 14 LEU CD2 . 27453 1 160 . 1 1 14 14 LEU N N 15 119.357 0.3 . 1 . . . . . 14 LEU N . 27453 1 161 . 1 1 15 15 GLN H H 1 8.042 0.02 . 1 . . . . . 15 GLN H . 27453 1 162 . 1 1 15 15 GLN HA H 1 4.276 0.02 . 1 . . . . . 15 GLN HA . 27453 1 163 . 1 1 15 15 GLN HB2 H 1 2.291 0.02 . 2 . . . . . 15 GLN HB2 . 27453 1 164 . 1 1 15 15 GLN HB3 H 1 2.122 0.02 . 2 . . . . . 15 GLN HB3 . 27453 1 165 . 1 1 15 15 GLN HG2 H 1 2.461 0.02 . 2 . . . . . 15 GLN HG2 . 27453 1 166 . 1 1 15 15 GLN HG3 H 1 2.606 0.02 . 2 . . . . . 15 GLN HG3 . 27453 1 167 . 1 1 15 15 GLN HE21 H 1 7.653 0.02 . 1 . . . . . 15 GLN HE21 . 27453 1 168 . 1 1 15 15 GLN HE22 H 1 6.883 0.02 . 1 . . . . . 15 GLN HE22 . 27453 1 169 . 1 1 15 15 GLN C C 13 179.385 0.3 . 1 . . . . . 15 GLN C . 27453 1 170 . 1 1 15 15 GLN CA C 13 58.285 0.3 . 1 . . . . . 15 GLN CA . 27453 1 171 . 1 1 15 15 GLN CB C 13 28.755 0.3 . 1 . . . . . 15 GLN CB . 27453 1 172 . 1 1 15 15 GLN CG C 13 34.471 0.3 . 1 . . . . . 15 GLN CG . 27453 1 173 . 1 1 15 15 GLN N N 15 119.891 0.3 . 1 . . . . . 15 GLN N . 27453 1 174 . 1 1 15 15 GLN NE2 N 15 111.942 0.3 . 1 . . . . . 15 GLN NE2 . 27453 1 175 . 1 1 16 16 VAL H H 1 7.892 0.02 . 1 . . . . . 16 VAL H . 27453 1 176 . 1 1 16 16 VAL HA H 1 3.269 0.02 . 1 . . . . . 16 VAL HA . 27453 1 177 . 1 1 16 16 VAL HB H 1 1.751 0.02 . 1 . . . . . 16 VAL HB . 27453 1 178 . 1 1 16 16 VAL HG11 H 1 0.167 0.02 . 2 . . . . . 16 VAL HG1 . 27453 1 179 . 1 1 16 16 VAL HG12 H 1 0.167 0.02 . 2 . . . . . 16 VAL HG1 . 27453 1 180 . 1 1 16 16 VAL HG13 H 1 0.167 0.02 . 2 . . . . . 16 VAL HG1 . 27453 1 181 . 1 1 16 16 VAL HG21 H 1 0.09 0.02 . 2 . . . . . 16 VAL HG2 . 27453 1 182 . 1 1 16 16 VAL HG22 H 1 0.09 0.02 . 2 . . . . . 16 VAL HG2 . 27453 1 183 . 1 1 16 16 VAL HG23 H 1 0.09 0.02 . 2 . . . . . 16 VAL HG2 . 27453 1 184 . 1 1 16 16 VAL C C 13 177.91 0.3 . 1 . . . . . 16 VAL C . 27453 1 185 . 1 1 16 16 VAL CA C 13 65.974 0.3 . 1 . . . . . 16 VAL CA . 27453 1 186 . 1 1 16 16 VAL CB C 13 30.188 0.3 . 1 . . . . . 16 VAL CB . 27453 1 187 . 1 1 16 16 VAL CG1 C 13 21.889 0.3 . 1 . . . . . 16 VAL CG1 . 27453 1 188 . 1 1 16 16 VAL CG2 C 13 21.591 0.3 . 1 . . . . . 16 VAL CG2 . 27453 1 189 . 1 1 16 16 VAL N N 15 122.017 0.3 . 1 . . . . . 16 VAL N . 27453 1 190 . 1 1 17 17 ILE H H 1 8.024 0.02 . 1 . . . . . 17 ILE H . 27453 1 191 . 1 1 17 17 ILE HA H 1 3.623 0.02 . 1 . . . . . 17 ILE HA . 27453 1 192 . 1 1 17 17 ILE HB H 1 2.115 0.02 . 1 . . . . . 17 ILE HB . 27453 1 193 . 1 1 17 17 ILE HG12 H 1 1.928 0.02 . 1 . . . . . 17 ILE HG12 . 27453 1 194 . 1 1 17 17 ILE HG13 H 1 1.928 0.02 . 1 . . . . . 17 ILE HG13 . 27453 1 195 . 1 1 17 17 ILE HG21 H 1 1.139 0.02 . 1 . . . . . 17 ILE HG2 . 27453 1 196 . 1 1 17 17 ILE HG22 H 1 1.139 0.02 . 1 . . . . . 17 ILE HG2 . 27453 1 197 . 1 1 17 17 ILE HG23 H 1 1.139 0.02 . 1 . . . . . 17 ILE HG2 . 27453 1 198 . 1 1 17 17 ILE HD11 H 1 1.244 0.02 . 1 . . . . . 17 ILE HD1 . 27453 1 199 . 1 1 17 17 ILE HD12 H 1 1.244 0.02 . 1 . . . . . 17 ILE HD1 . 27453 1 200 . 1 1 17 17 ILE HD13 H 1 1.244 0.02 . 1 . . . . . 17 ILE HD1 . 27453 1 201 . 1 1 17 17 ILE C C 13 177.194 0.3 . 1 . . . . . 17 ILE C . 27453 1 202 . 1 1 17 17 ILE CA C 13 65.57 0.3 . 1 . . . . . 17 ILE CA . 27453 1 203 . 1 1 17 17 ILE CB C 13 37.093 0.3 . 1 . . . . . 17 ILE CB . 27453 1 204 . 1 1 17 17 ILE CG1 C 13 30.52 0.3 . 1 . . . . . 17 ILE CG1 . 27453 1 205 . 1 1 17 17 ILE CG2 C 13 17.556 0.3 . 1 . . . . . 17 ILE CG2 . 27453 1 206 . 1 1 17 17 ILE CD1 C 13 14.012 0.3 . 1 . . . . . 17 ILE CD1 . 27453 1 207 . 1 1 17 17 ILE N N 15 120.79 0.3 . 1 . . . . . 17 ILE N . 27453 1 208 . 1 1 18 18 ASP H H 1 7.734 0.02 . 1 . . . . . 18 ASP H . 27453 1 209 . 1 1 18 18 ASP HA H 1 4.462 0.02 . 1 . . . . . 18 ASP HA . 27453 1 210 . 1 1 18 18 ASP HB2 H 1 2.861 0.02 . 2 . . . . . 18 ASP HB2 . 27453 1 211 . 1 1 18 18 ASP HB3 H 1 2.687 0.02 . 2 . . . . . 18 ASP HB3 . 27453 1 212 . 1 1 18 18 ASP C C 13 178.601 0.3 . 1 . . . . . 18 ASP C . 27453 1 213 . 1 1 18 18 ASP CA C 13 57.943 0.3 . 1 . . . . . 18 ASP CA . 27453 1 214 . 1 1 18 18 ASP CB C 13 39.872 0.3 . 1 . . . . . 18 ASP CB . 27453 1 215 . 1 1 18 18 ASP N N 15 119.18 0.3 . 1 . . . . . 18 ASP N . 27453 1 216 . 1 1 19 19 TRP H H 1 7.735 0.02 . 1 . . . . . 19 TRP H . 27453 1 217 . 1 1 19 19 TRP HA H 1 4.225 0.02 . 1 . . . . . 19 TRP HA . 27453 1 218 . 1 1 19 19 TRP HB2 H 1 3.909 0.02 . 2 . . . . . 19 TRP HB2 . 27453 1 219 . 1 1 19 19 TRP HB3 H 1 3.329 0.02 . 2 . . . . . 19 TRP HB3 . 27453 1 220 . 1 1 19 19 TRP HD1 H 1 7.448 0.02 . 1 . . . . . 19 TRP HD1 . 27453 1 221 . 1 1 19 19 TRP HE1 H 1 10.465 0.02 . 1 . . . . . 19 TRP HE1 . 27453 1 222 . 1 1 19 19 TRP HE3 H 1 7.306 0.02 . 1 . . . . . 19 TRP HE3 . 27453 1 223 . 1 1 19 19 TRP HZ2 H 1 7.563 0.02 . 1 . . . . . 19 TRP HZ2 . 27453 1 224 . 1 1 19 19 TRP C C 13 179.347 0.3 . 1 . . . . . 19 TRP C . 27453 1 225 . 1 1 19 19 TRP CA C 13 61.94 0.3 . 1 . . . . . 19 TRP CA . 27453 1 226 . 1 1 19 19 TRP CB C 13 28.91 0.3 . 1 . . . . . 19 TRP CB . 27453 1 227 . 1 1 19 19 TRP CD1 C 13 123.926 0.3 . 1 . . . . . 19 TRP CD1 . 27453 1 228 . 1 1 19 19 TRP CE3 C 13 119.081 0.3 . 1 . . . . . 19 TRP CE3 . 27453 1 229 . 1 1 19 19 TRP CZ2 C 13 110.901 0.3 . 1 . . . . . 19 TRP CZ2 . 27453 1 230 . 1 1 19 19 TRP N N 15 122.721 0.3 . 1 . . . . . 19 TRP N . 27453 1 231 . 1 1 20 20 LEU H H 1 8.662 0.02 . 1 . . . . . 20 LEU H . 27453 1 232 . 1 1 20 20 LEU HA H 1 3.702 0.02 . 1 . . . . . 20 LEU HA . 27453 1 233 . 1 1 20 20 LEU HB2 H 1 1.807 0.02 . 1 . . . . . 20 LEU HB2 . 27453 1 234 . 1 1 20 20 LEU HB3 H 1 1.807 0.02 . 1 . . . . . 20 LEU HB3 . 27453 1 235 . 1 1 20 20 LEU HG H 1 1.813 0.02 . 1 . . . . . 20 LEU HG . 27453 1 236 . 1 1 20 20 LEU HD11 H 1 0.125 0.02 . 2 . . . . . 20 LEU HD1 . 27453 1 237 . 1 1 20 20 LEU HD12 H 1 0.125 0.02 . 2 . . . . . 20 LEU HD1 . 27453 1 238 . 1 1 20 20 LEU HD13 H 1 0.125 0.02 . 2 . . . . . 20 LEU HD1 . 27453 1 239 . 1 1 20 20 LEU HD21 H 1 0.633 0.02 . 2 . . . . . 20 LEU HD2 . 27453 1 240 . 1 1 20 20 LEU HD22 H 1 0.633 0.02 . 2 . . . . . 20 LEU HD2 . 27453 1 241 . 1 1 20 20 LEU HD23 H 1 0.633 0.02 . 2 . . . . . 20 LEU HD2 . 27453 1 242 . 1 1 20 20 LEU C C 13 177.701 0.3 . 1 . . . . . 20 LEU C . 27453 1 243 . 1 1 20 20 LEU CA C 13 58.472 0.3 . 1 . . . . . 20 LEU CA . 27453 1 244 . 1 1 20 20 LEU CB C 13 40.446 0.3 . 1 . . . . . 20 LEU CB . 27453 1 245 . 1 1 20 20 LEU CG C 13 26.147 0.3 . 1 . . . . . 20 LEU CG . 27453 1 246 . 1 1 20 20 LEU CD1 C 13 24.311 0.3 . 1 . . . . . 20 LEU CD1 . 27453 1 247 . 1 1 20 20 LEU CD2 C 13 23.71 0.3 . 1 . . . . . 20 LEU CD2 . 27453 1 248 . 1 1 20 20 LEU N N 15 124.042 0.3 . 1 . . . . . 20 LEU N . 27453 1 249 . 1 1 21 21 ILE H H 1 8.066 0.02 . 1 . . . . . 21 ILE H . 27453 1 250 . 1 1 21 21 ILE HA H 1 3.454 0.02 . 1 . . . . . 21 ILE HA . 27453 1 251 . 1 1 21 21 ILE HB H 1 1.719 0.02 . 1 . . . . . 21 ILE HB . 27453 1 252 . 1 1 21 21 ILE HG12 H 1 1.673 0.02 . 1 . . . . . 21 ILE HG12 . 27453 1 253 . 1 1 21 21 ILE HG13 H 1 1.673 0.02 . 1 . . . . . 21 ILE HG13 . 27453 1 254 . 1 1 21 21 ILE HG21 H 1 0.848 0.02 . 1 . . . . . 21 ILE HG2 . 27453 1 255 . 1 1 21 21 ILE HG22 H 1 0.848 0.02 . 1 . . . . . 21 ILE HG2 . 27453 1 256 . 1 1 21 21 ILE HG23 H 1 0.848 0.02 . 1 . . . . . 21 ILE HG2 . 27453 1 257 . 1 1 21 21 ILE HD11 H 1 0.848 0.02 . 1 . . . . . 21 ILE HD1 . 27453 1 258 . 1 1 21 21 ILE HD12 H 1 0.848 0.02 . 1 . . . . . 21 ILE HD1 . 27453 1 259 . 1 1 21 21 ILE HD13 H 1 0.848 0.02 . 1 . . . . . 21 ILE HD1 . 27453 1 260 . 1 1 21 21 ILE C C 13 177.028 0.3 . 1 . . . . . 21 ILE C . 27453 1 261 . 1 1 21 21 ILE CA C 13 64.53 0.3 . 1 . . . . . 21 ILE CA . 27453 1 262 . 1 1 21 21 ILE CB C 13 38.657 0.3 . 1 . . . . . 21 ILE CB . 27453 1 263 . 1 1 21 21 ILE CG1 C 13 29.435 0.3 . 1 . . . . . 21 ILE CG1 . 27453 1 264 . 1 1 21 21 ILE CG2 C 13 17.021 0.3 . 1 . . . . . 21 ILE CG2 . 27453 1 265 . 1 1 21 21 ILE CD1 C 13 14.779 0.3 . 1 . . . . . 21 ILE CD1 . 27453 1 266 . 1 1 21 21 ILE N N 15 119.154 0.3 . 1 . . . . . 21 ILE N . 27453 1 267 . 1 1 22 22 GLU H H 1 7.673 0.02 . 1 . . . . . 22 GLU H . 27453 1 268 . 1 1 22 22 GLU HA H 1 3.815 0.02 . 1 . . . . . 22 GLU HA . 27453 1 269 . 1 1 22 22 GLU HB2 H 1 1.959 0.02 . 2 . . . . . 22 GLU HB2 . 27453 1 270 . 1 1 22 22 GLU HB3 H 1 1.758 0.02 . 2 . . . . . 22 GLU HB3 . 27453 1 271 . 1 1 22 22 GLU HG2 H 1 2.139 0.02 . 1 . . . . . 22 GLU HG2 . 27453 1 272 . 1 1 22 22 GLU HG3 H 1 2.139 0.02 . 1 . . . . . 22 GLU HG3 . 27453 1 273 . 1 1 22 22 GLU C C 13 178.33 0.3 . 1 . . . . . 22 GLU C . 27453 1 274 . 1 1 22 22 GLU CA C 13 58.467 0.3 . 1 . . . . . 22 GLU CA . 27453 1 275 . 1 1 22 22 GLU CB C 13 29.844 0.3 . 1 . . . . . 22 GLU CB . 27453 1 276 . 1 1 22 22 GLU CG C 13 35.857 0.3 . 1 . . . . . 22 GLU CG . 27453 1 277 . 1 1 22 22 GLU N N 15 115.918 0.3 . 1 . . . . . 22 GLU N . 27453 1 278 . 1 1 23 23 ASN H H 1 7.506 0.02 . 1 . . . . . 23 ASN H . 27453 1 279 . 1 1 23 23 ASN HA H 1 3.778 0.02 . 1 . . . . . 23 ASN HA . 27453 1 280 . 1 1 23 23 ASN HB2 H 1 1.059 0.02 . 2 . . . . . 23 ASN HB2 . 27453 1 281 . 1 1 23 23 ASN HB3 H 1 0.574 0.02 . 2 . . . . . 23 ASN HB3 . 27453 1 282 . 1 1 23 23 ASN HD21 H 1 6 0.02 . 1 . . . . . 23 ASN HD21 . 27453 1 283 . 1 1 23 23 ASN HD22 H 1 6 0.02 . 1 . . . . . 23 ASN HD22 . 27453 1 284 . 1 1 23 23 ASN C C 13 173.868 0.3 . 1 . . . . . 23 ASN C . 27453 1 285 . 1 1 23 23 ASN CA C 13 55.861 0.3 . 1 . . . . . 23 ASN CA . 27453 1 286 . 1 1 23 23 ASN CB C 13 39.377 0.3 . 1 . . . . . 23 ASN CB . 27453 1 287 . 1 1 23 23 ASN N N 15 113.88 0.3 . 1 . . . . . 23 ASN N . 27453 1 288 . 1 1 23 23 ASN ND2 N 15 113.229 0.3 . 1 . . . . . 23 ASN ND2 . 27453 1 289 . 1 1 24 24 PHE H H 1 8.04 0.02 . 1 . . . . . 24 PHE H . 27453 1 290 . 1 1 24 24 PHE HA H 1 3.779 0.02 . 1 . . . . . 24 PHE HA . 27453 1 291 . 1 1 24 24 PHE HD1 H 1 7.548 0.02 . 1 . . . . . 24 PHE HD1 . 27453 1 292 . 1 1 24 24 PHE HD2 H 1 7.548 0.02 . 1 . . . . . 24 PHE HD2 . 27453 1 293 . 1 1 24 24 PHE HE1 H 1 7.419 0.02 . 1 . . . . . 24 PHE HE1 . 27453 1 294 . 1 1 24 24 PHE HE2 H 1 7.419 0.02 . 1 . . . . . 24 PHE HE2 . 27453 1 295 . 1 1 24 24 PHE HZ H 1 7.341 0.02 . 1 . . . . . 24 PHE HZ . 27453 1 296 . 1 1 24 24 PHE C C 13 174.143 0.3 . 1 . . . . . 24 PHE C . 27453 1 297 . 1 1 24 24 PHE CA C 13 55.912 0.3 . 1 . . . . . 24 PHE CA . 27453 1 298 . 1 1 24 24 PHE CD1 C 13 128.255 0.3 . 1 . . . . . 24 PHE CD1 . 27453 1 299 . 1 1 24 24 PHE CD2 C 13 128.255 0.3 . 1 . . . . . 24 PHE CD2 . 27453 1 300 . 1 1 24 24 PHE CE1 C 13 128.145 0.3 . 1 . . . . . 24 PHE CE1 . 27453 1 301 . 1 1 24 24 PHE CE2 C 13 128.145 0.3 . 1 . . . . . 24 PHE CE2 . 27453 1 302 . 1 1 24 24 PHE CZ C 13 126.999 0.3 . 1 . . . . . 24 PHE CZ . 27453 1 303 . 1 1 24 24 PHE N N 15 118.17 0.3 . 1 . . . . . 24 PHE N . 27453 1 304 . 1 1 25 25 PRO HA H 1 4.696 0.02 . 1 . . . . . 25 PRO HA . 27453 1 305 . 1 1 25 25 PRO HB2 H 1 2.402 0.02 . 1 . . . . . 25 PRO HB2 . 27453 1 306 . 1 1 25 25 PRO HB3 H 1 2.402 0.02 . 1 . . . . . 25 PRO HB3 . 27453 1 307 . 1 1 25 25 PRO HG2 H 1 1.902 0.02 . 2 . . . . . 25 PRO HG2 . 27453 1 308 . 1 1 25 25 PRO HG3 H 1 1.637 0.02 . 2 . . . . . 25 PRO HG3 . 27453 1 309 . 1 1 25 25 PRO HD2 H 1 3.432 0.02 . 2 . . . . . 25 PRO HD2 . 27453 1 310 . 1 1 25 25 PRO HD3 H 1 3.1 0.02 . 2 . . . . . 25 PRO HD3 . 27453 1 311 . 1 1 25 25 PRO C C 13 177.281 0.3 . 1 . . . . . 25 PRO C . 27453 1 312 . 1 1 25 25 PRO CA C 13 64.129 0.3 . 1 . . . . . 25 PRO CA . 27453 1 313 . 1 1 25 25 PRO CB C 13 32.505 0.3 . 1 . . . . . 25 PRO CB . 27453 1 314 . 1 1 25 25 PRO CG C 13 26.789 0.3 . 1 . . . . . 25 PRO CG . 27453 1 315 . 1 1 25 25 PRO CD C 13 50.4 0.3 . 1 . . . . . 25 PRO CD . 27453 1 316 . 1 1 26 26 ASN H H 1 8.522 0.02 . 1 . . . . . 26 ASN H . 27453 1 317 . 1 1 26 26 ASN HA H 1 4.946 0.02 . 1 . . . . . 26 ASN HA . 27453 1 318 . 1 1 26 26 ASN HB2 H 1 2.987 0.02 . 2 . . . . . 26 ASN HB2 . 27453 1 319 . 1 1 26 26 ASN HB3 H 1 2.548 0.02 . 2 . . . . . 26 ASN HB3 . 27453 1 320 . 1 1 26 26 ASN HD21 H 1 7.155 0.02 . 2 . . . . . 26 ASN HD21 . 27453 1 321 . 1 1 26 26 ASN HD22 H 1 7.078 0.02 . 2 . . . . . 26 ASN HD22 . 27453 1 322 . 1 1 26 26 ASN C C 13 173.705 0.3 . 1 . . . . . 26 ASN C . 27453 1 323 . 1 1 26 26 ASN CA C 13 52.808 0.3 . 1 . . . . . 26 ASN CA . 27453 1 324 . 1 1 26 26 ASN CB C 13 39.101 0.3 . 1 . . . . . 26 ASN CB . 27453 1 325 . 1 1 26 26 ASN N N 15 115.51 0.3 . 1 . . . . . 26 ASN N . 27453 1 326 . 1 1 26 26 ASN ND2 N 15 113.398 0.3 . 1 . . . . . 26 ASN ND2 . 27453 1 327 . 1 1 27 27 ALA H H 1 7.654 0.02 . 1 . . . . . 27 ALA H . 27453 1 328 . 1 1 27 27 ALA HA H 1 4.449 0.02 . 1 . . . . . 27 ALA HA . 27453 1 329 . 1 1 27 27 ALA HB1 H 1 1.012 0.02 . 1 . . . . . 27 ALA HB . 27453 1 330 . 1 1 27 27 ALA HB2 H 1 1.012 0.02 . 1 . . . . . 27 ALA HB . 27453 1 331 . 1 1 27 27 ALA HB3 H 1 1.012 0.02 . 1 . . . . . 27 ALA HB . 27453 1 332 . 1 1 27 27 ALA C C 13 173.252 0.3 . 1 . . . . . 27 ALA C . 27453 1 333 . 1 1 27 27 ALA CA C 13 53.013 0.3 . 1 . . . . . 27 ALA CA . 27453 1 334 . 1 1 27 27 ALA CB C 13 22.908 0.3 . 1 . . . . . 27 ALA CB . 27453 1 335 . 1 1 27 27 ALA N N 15 121.607 0.3 . 1 . . . . . 27 ALA N . 27453 1 336 . 1 1 28 28 PHE H H 1 7.296 0.02 . 1 . . . . . 28 PHE H . 27453 1 337 . 1 1 28 28 PHE HA H 1 4.616 0.02 . 1 . . . . . 28 PHE HA . 27453 1 338 . 1 1 28 28 PHE HB2 H 1 2.34 0.02 . 2 . . . . . 28 PHE HB2 . 27453 1 339 . 1 1 28 28 PHE HB3 H 1 2.266 0.02 . 2 . . . . . 28 PHE HB3 . 27453 1 340 . 1 1 28 28 PHE HD1 H 1 6.515 0.02 . 1 . . . . . 28 PHE HD1 . 27453 1 341 . 1 1 28 28 PHE HD2 H 1 6.515 0.02 . 1 . . . . . 28 PHE HD2 . 27453 1 342 . 1 1 28 28 PHE HE1 H 1 6.579 0.02 . 1 . . . . . 28 PHE HE1 . 27453 1 343 . 1 1 28 28 PHE HE2 H 1 6.579 0.02 . 1 . . . . . 28 PHE HE2 . 27453 1 344 . 1 1 28 28 PHE HZ H 1 6.72 0.02 . 1 . . . . . 28 PHE HZ . 27453 1 345 . 1 1 28 28 PHE C C 13 173.308 0.3 . 1 . . . . . 28 PHE C . 27453 1 346 . 1 1 28 28 PHE CA C 13 56.622 0.3 . 1 . . . . . 28 PHE CA . 27453 1 347 . 1 1 28 28 PHE CB C 13 41.493 0.3 . 1 . . . . . 28 PHE CB . 27453 1 348 . 1 1 28 28 PHE CD1 C 13 128.704 0.3 . 1 . . . . . 28 PHE CD1 . 27453 1 349 . 1 1 28 28 PHE CD2 C 13 128.704 0.3 . 1 . . . . . 28 PHE CD2 . 27453 1 350 . 1 1 28 28 PHE CE1 C 13 126.546 0.3 . 1 . . . . . 28 PHE CE1 . 27453 1 351 . 1 1 28 28 PHE CE2 C 13 126.546 0.3 . 1 . . . . . 28 PHE CE2 . 27453 1 352 . 1 1 28 28 PHE CZ C 13 124.346 0.3 . 1 . . . . . 28 PHE CZ . 27453 1 353 . 1 1 28 28 PHE N N 15 115.105 0.3 . 1 . . . . . 28 PHE N . 27453 1 354 . 1 1 29 29 PHE H H 1 8.265 0.02 . 1 . . . . . 29 PHE H . 27453 1 355 . 1 1 29 29 PHE HA H 1 4.659 0.02 . 1 . . . . . 29 PHE HA . 27453 1 356 . 1 1 29 29 PHE HB2 H 1 3.271 0.02 . 2 . . . . . 29 PHE HB2 . 27453 1 357 . 1 1 29 29 PHE HB3 H 1 2.514 0.02 . 2 . . . . . 29 PHE HB3 . 27453 1 358 . 1 1 29 29 PHE HD1 H 1 7.139 0.02 . 1 . . . . . 29 PHE HD1 . 27453 1 359 . 1 1 29 29 PHE HE1 H 1 7.042 0.02 . 1 . . . . . 29 PHE HE1 . 27453 1 360 . 1 1 29 29 PHE HE2 H 1 7.042 0.02 . 1 . . . . . 29 PHE HE2 . 27453 1 361 . 1 1 29 29 PHE HZ H 1 7.022 0.02 . 1 . . . . . 29 PHE HZ . 27453 1 362 . 1 1 29 29 PHE C C 13 174.419 0.3 . 1 . . . . . 29 PHE C . 27453 1 363 . 1 1 29 29 PHE CA C 13 57.13 0.3 . 1 . . . . . 29 PHE CA . 27453 1 364 . 1 1 29 29 PHE CB C 13 43.751 0.3 . 1 . . . . . 29 PHE CB . 27453 1 365 . 1 1 29 29 PHE CD1 C 13 125.853 0.3 . 1 . . . . . 29 PHE CD1 . 27453 1 366 . 1 1 29 29 PHE CE1 C 13 126.767 0.3 . 1 . . . . . 29 PHE CE1 . 27453 1 367 . 1 1 29 29 PHE CE2 C 13 126.767 0.3 . 1 . . . . . 29 PHE CE2 . 27453 1 368 . 1 1 29 29 PHE CZ C 13 125.166 0.3 . 1 . . . . . 29 PHE CZ . 27453 1 369 . 1 1 29 29 PHE N N 15 117.681 0.3 . 1 . . . . . 29 PHE N . 27453 1 370 . 1 1 30 30 LYS H H 1 8.732 0.02 . 1 . . . . . 30 LYS H . 27453 1 371 . 1 1 30 30 LYS HA H 1 4.316 0.02 . 1 . . . . . 30 LYS HA . 27453 1 372 . 1 1 30 30 LYS HB2 H 1 1.923 0.02 . 1 . . . . . 30 LYS HB2 . 27453 1 373 . 1 1 30 30 LYS HB3 H 1 1.923 0.02 . 1 . . . . . 30 LYS HB3 . 27453 1 374 . 1 1 30 30 LYS HG2 H 1 1.575 0.02 . 1 . . . . . 30 LYS HG2 . 27453 1 375 . 1 1 30 30 LYS HG3 H 1 1.575 0.02 . 1 . . . . . 30 LYS HG3 . 27453 1 376 . 1 1 30 30 LYS HD2 H 1 1.775 0.02 . 1 . . . . . 30 LYS HD2 . 27453 1 377 . 1 1 30 30 LYS HD3 H 1 1.775 0.02 . 1 . . . . . 30 LYS HD3 . 27453 1 378 . 1 1 30 30 LYS HE2 H 1 3.027 0.02 . 1 . . . . . 30 LYS HE2 . 27453 1 379 . 1 1 30 30 LYS HE3 H 1 3.027 0.02 . 1 . . . . . 30 LYS HE3 . 27453 1 380 . 1 1 30 30 LYS C C 13 177.151 0.3 . 1 . . . . . 30 LYS C . 27453 1 381 . 1 1 30 30 LYS CA C 13 56.989 0.3 . 1 . . . . . 30 LYS CA . 27453 1 382 . 1 1 30 30 LYS CB C 13 34.254 0.3 . 1 . . . . . 30 LYS CB . 27453 1 383 . 1 1 30 30 LYS CG C 13 25.102 0.3 . 1 . . . . . 30 LYS CG . 27453 1 384 . 1 1 30 30 LYS CD C 13 29.034 0.3 . 1 . . . . . 30 LYS CD . 27453 1 385 . 1 1 30 30 LYS CE C 13 42.012 0.3 . 1 . . . . . 30 LYS CE . 27453 1 386 . 1 1 30 30 LYS N N 15 119.575 0.3 . 1 . . . . . 30 LYS N . 27453 1 387 . 1 1 31 31 LYS H H 1 8.244 0.02 . 1 . . . . . 31 LYS H . 27453 1 388 . 1 1 31 31 LYS HA H 1 4.405 0.02 . 1 . . . . . 31 LYS HA . 27453 1 389 . 1 1 31 31 LYS HB2 H 1 1.902 0.02 . 1 . . . . . 31 LYS HB2 . 27453 1 390 . 1 1 31 31 LYS HB3 H 1 1.78 0.02 . 1 . . . . . 31 LYS HB3 . 27453 1 391 . 1 1 31 31 LYS C C 13 178.131 0.3 . 1 . . . . . 31 LYS C . 27453 1 392 . 1 1 31 31 LYS N N 15 119.35 0.3 . 1 . . . . . 31 LYS N . 27453 1 393 . 1 1 32 32 GLY H H 1 8.811 0.02 . 2 . . . . . 32 GLY H . 27453 1 394 . 1 1 32 32 GLY HA2 H 1 3.93 0.02 . 2 . . . . . 32 GLY HA2 . 27453 1 395 . 1 1 32 32 GLY HA3 H 1 3.657 0.02 . 2 . . . . . 32 GLY HA3 . 27453 1 396 . 1 1 32 32 GLY C C 13 175.116 0.3 . 1 . . . . . 32 GLY C . 27453 1 397 . 1 1 32 32 GLY CA C 13 47.429 0.3 . 1 . . . . . 32 GLY CA . 27453 1 398 . 1 1 32 32 GLY N N 15 112.548 0.3 . 1 . . . . . 32 GLY N . 27453 1 399 . 1 1 33 33 ASN H H 1 8.303 0.02 . 1 . . . . . 33 ASN H . 27453 1 400 . 1 1 33 33 ASN HA H 1 4.429 0.02 . 1 . . . . . 33 ASN HA . 27453 1 401 . 1 1 33 33 ASN HB2 H 1 2.961 0.02 . 2 . . . . . 33 ASN HB2 . 27453 1 402 . 1 1 33 33 ASN HB3 H 1 2.726 0.02 . 2 . . . . . 33 ASN HB3 . 27453 1 403 . 1 1 33 33 ASN HD21 H 1 7.527 0.02 . 1 . . . . . 33 ASN HD21 . 27453 1 404 . 1 1 33 33 ASN HD22 H 1 6.791 0.02 . 1 . . . . . 33 ASN HD22 . 27453 1 405 . 1 1 33 33 ASN C C 13 175.402 0.3 . 1 . . . . . 33 ASN C . 27453 1 406 . 1 1 33 33 ASN CA C 13 54.061 0.3 . 1 . . . . . 33 ASN CA . 27453 1 407 . 1 1 33 33 ASN CB C 13 37.229 0.3 . 1 . . . . . 33 ASN CB . 27453 1 408 . 1 1 33 33 ASN N N 15 115.298 0.3 . 1 . . . . . 33 ASN N . 27453 1 409 . 1 1 33 33 ASN ND2 N 15 111.714 0.3 . 1 . . . . . 33 ASN ND2 . 27453 1 410 . 1 1 34 34 GLN H H 1 7.787 0.02 . 1 . . . . . 34 GLN H . 27453 1 411 . 1 1 34 34 GLN HA H 1 4.025 0.02 . 1 . . . . . 34 GLN HA . 27453 1 412 . 1 1 34 34 GLN HB2 H 1 1.896 0.02 . 2 . . . . . 34 GLN HB2 . 27453 1 413 . 1 1 34 34 GLN HB3 H 1 1.68 0.02 . 2 . . . . . 34 GLN HB3 . 27453 1 414 . 1 1 34 34 GLN HG2 H 1 2.218 0.02 . 2 . . . . . 34 GLN HG2 . 27453 1 415 . 1 1 34 34 GLN HG3 H 1 2.144 0.02 . 2 . . . . . 34 GLN HG3 . 27453 1 416 . 1 1 34 34 GLN C C 13 174.184 0.3 . 1 . . . . . 34 GLN C . 27453 1 417 . 1 1 34 34 GLN CA C 13 55.216 0.3 . 1 . . . . . 34 GLN CA . 27453 1 418 . 1 1 34 34 GLN CB C 13 30.451 0.3 . 1 . . . . . 34 GLN CB . 27453 1 419 . 1 1 34 34 GLN CG C 13 34.52 0.3 . 1 . . . . . 34 GLN CG . 27453 1 420 . 1 1 34 34 GLN N N 15 117.453 0.3 . 1 . . . . . 34 GLN N . 27453 1 421 . 1 1 35 35 VAL H H 1 6.667 0.02 . 1 . . . . . 35 VAL H . 27453 1 422 . 1 1 35 35 VAL HA H 1 3.422 0.02 . 1 . . . . . 35 VAL HA . 27453 1 423 . 1 1 35 35 VAL HB H 1 1.886 0.02 . 1 . . . . . 35 VAL HB . 27453 1 424 . 1 1 35 35 VAL HG11 H 1 1.132 0.02 . 2 . . . . . 35 VAL HG1 . 27453 1 425 . 1 1 35 35 VAL HG12 H 1 1.132 0.02 . 2 . . . . . 35 VAL HG1 . 27453 1 426 . 1 1 35 35 VAL HG13 H 1 1.132 0.02 . 2 . . . . . 35 VAL HG1 . 27453 1 427 . 1 1 35 35 VAL HG21 H 1 1.104 0.02 . 2 . . . . . 35 VAL HG2 . 27453 1 428 . 1 1 35 35 VAL HG22 H 1 1.104 0.02 . 2 . . . . . 35 VAL HG2 . 27453 1 429 . 1 1 35 35 VAL HG23 H 1 1.104 0.02 . 2 . . . . . 35 VAL HG2 . 27453 1 430 . 1 1 35 35 VAL C C 13 174.641 0.3 . 1 . . . . . 35 VAL C . 27453 1 431 . 1 1 35 35 VAL CA C 13 65.222 0.3 . 1 . . . . . 35 VAL CA . 27453 1 432 . 1 1 35 35 VAL CB C 13 32.767 0.3 . 1 . . . . . 35 VAL CB . 27453 1 433 . 1 1 35 35 VAL CG1 C 13 22.892 0.3 . 1 . . . . . 35 VAL CG1 . 27453 1 434 . 1 1 35 35 VAL CG2 C 13 22.13 0.3 . 1 . . . . . 35 VAL CG2 . 27453 1 435 . 1 1 35 35 VAL N N 15 117.137 0.3 . 1 . . . . . 35 VAL N . 27453 1 436 . 1 1 36 36 LYS H H 1 7.699 0.02 . 1 . . . . . 36 LYS H . 27453 1 437 . 1 1 36 36 LYS C C 13 173.816 0.3 . 1 . . . . . 36 LYS C . 27453 1 438 . 1 1 36 36 LYS CA C 13 53.417 0.3 . 1 . . . . . 36 LYS CA . 27453 1 439 . 1 1 36 36 LYS CB C 13 35.341 0.3 . 1 . . . . . 36 LYS CB . 27453 1 440 . 1 1 36 36 LYS N N 15 124.266 0.3 . 1 . . . . . 36 LYS N . 27453 1 441 . 1 1 37 37 PRO HA H 1 4.37 0.02 . 1 . . . . . 37 PRO HA . 27453 1 442 . 1 1 37 37 PRO HB2 H 1 1.986 0.02 . 1 . . . . . 37 PRO HB2 . 27453 1 443 . 1 1 37 37 PRO HB3 H 1 1.986 0.02 . 1 . . . . . 37 PRO HB3 . 27453 1 444 . 1 1 37 37 PRO HG2 H 1 1.52 0.02 . 2 . . . . . 37 PRO HG2 . 27453 1 445 . 1 1 37 37 PRO HG3 H 1 0.682 0.02 . 2 . . . . . 37 PRO HG3 . 27453 1 446 . 1 1 37 37 PRO HD2 H 1 3.548 0.02 . 2 . . . . . 37 PRO HD2 . 27453 1 447 . 1 1 37 37 PRO HD3 H 1 2.595 0.02 . 2 . . . . . 37 PRO HD3 . 27453 1 448 . 1 1 37 37 PRO C C 13 174.707 0.3 . 1 . . . . . 37 PRO C . 27453 1 449 . 1 1 37 37 PRO CA C 13 63.07 0.3 . 1 . . . . . 37 PRO CA . 27453 1 450 . 1 1 37 37 PRO CB C 13 30.838 0.3 . 1 . . . . . 37 PRO CB . 27453 1 451 . 1 1 37 37 PRO CG C 13 25.896 0.3 . 1 . . . . . 37 PRO CG . 27453 1 452 . 1 1 37 37 PRO CD C 13 49.936 0.3 . 1 . . . . . 37 PRO CD . 27453 1 453 . 1 1 38 38 LEU H H 1 8.513 0.02 . 1 . . . . . 38 LEU H . 27453 1 454 . 1 1 38 38 LEU HA H 1 4.998 0.02 . 1 . . . . . 38 LEU HA . 27453 1 455 . 1 1 38 38 LEU HB2 H 1 1.432 0.02 . 2 . . . . . 38 LEU HB2 . 27453 1 456 . 1 1 38 38 LEU HB3 H 1 1.946 0.02 . 2 . . . . . 38 LEU HB3 . 27453 1 457 . 1 1 38 38 LEU HG H 1 2.132 0.02 . 1 . . . . . 38 LEU HG . 27453 1 458 . 1 1 38 38 LEU HD11 H 1 0.788 0.02 . 2 . . . . . 38 LEU HD1 . 27453 1 459 . 1 1 38 38 LEU HD12 H 1 0.788 0.02 . 2 . . . . . 38 LEU HD1 . 27453 1 460 . 1 1 38 38 LEU HD13 H 1 0.788 0.02 . 2 . . . . . 38 LEU HD1 . 27453 1 461 . 1 1 38 38 LEU HD21 H 1 0.485 0.02 . 2 . . . . . 38 LEU HD2 . 27453 1 462 . 1 1 38 38 LEU HD22 H 1 0.485 0.02 . 2 . . . . . 38 LEU HD2 . 27453 1 463 . 1 1 38 38 LEU HD23 H 1 0.485 0.02 . 2 . . . . . 38 LEU HD2 . 27453 1 464 . 1 1 38 38 LEU C C 13 178.047 0.3 . 1 . . . . . 38 LEU C . 27453 1 465 . 1 1 38 38 LEU CA C 13 53.337 0.3 . 1 . . . . . 38 LEU CA . 27453 1 466 . 1 1 38 38 LEU CB C 13 44.584 0.3 . 1 . . . . . 38 LEU CB . 27453 1 467 . 1 1 38 38 LEU CG C 13 26.653 0.3 . 1 . . . . . 38 LEU CG . 27453 1 468 . 1 1 38 38 LEU CD1 C 13 26.411 0.3 . 1 . . . . . 38 LEU CD1 . 27453 1 469 . 1 1 38 38 LEU CD2 C 13 21.767 0.3 . 1 . . . . . 38 LEU CD2 . 27453 1 470 . 1 1 38 38 LEU N N 15 121.399 0.3 . 1 . . . . . 38 LEU N . 27453 1 471 . 1 1 39 39 LYS H H 1 8.593 0.02 . 1 . . . . . 39 LYS H . 27453 1 472 . 1 1 39 39 LYS HA H 1 3.814 0.02 . 1 . . . . . 39 LYS HA . 27453 1 473 . 1 1 39 39 LYS HB2 H 1 1.585 0.02 . 2 . . . . . 39 LYS HB2 . 27453 1 474 . 1 1 39 39 LYS HB3 H 1 1.313 0.02 . 2 . . . . . 39 LYS HB3 . 27453 1 475 . 1 1 39 39 LYS HG2 H 1 1.195 0.02 . 1 . . . . . 39 LYS HG2 . 27453 1 476 . 1 1 39 39 LYS HG3 H 1 1.195 0.02 . 1 . . . . . 39 LYS HG3 . 27453 1 477 . 1 1 39 39 LYS HD2 H 1 1.549 0.02 . 1 . . . . . 39 LYS HD2 . 27453 1 478 . 1 1 39 39 LYS HD3 H 1 1.549 0.02 . 1 . . . . . 39 LYS HD3 . 27453 1 479 . 1 1 39 39 LYS HE2 H 1 3.029 0.02 . 2 . . . . . 39 LYS HE2 . 27453 1 480 . 1 1 39 39 LYS HE3 H 1 2.802 0.02 . 2 . . . . . 39 LYS HE3 . 27453 1 481 . 1 1 39 39 LYS C C 13 176.039 0.3 . 1 . . . . . 39 LYS C . 27453 1 482 . 1 1 39 39 LYS CA C 13 56.444 0.3 . 1 . . . . . 39 LYS CA . 27453 1 483 . 1 1 39 39 LYS CB C 13 34.242 0.3 . 1 . . . . . 39 LYS CB . 27453 1 484 . 1 1 39 39 LYS CG C 13 23.695 0.3 . 1 . . . . . 39 LYS CG . 27453 1 485 . 1 1 39 39 LYS CD C 13 30.181 0.3 . 1 . . . . . 39 LYS CD . 27453 1 486 . 1 1 39 39 LYS CE C 13 41.983 0.3 . 1 . . . . . 39 LYS CE . 27453 1 487 . 1 1 39 39 LYS N N 15 121.319 0.3 . 1 . . . . . 39 LYS N . 27453 1 488 . 1 1 40 40 ILE H H 1 9.462 0.02 . 1 . . . . . 40 ILE H . 27453 1 489 . 1 1 40 40 ILE HA H 1 4.03 0.02 . 1 . . . . . 40 ILE HA . 27453 1 490 . 1 1 40 40 ILE HB H 1 2.049 0.02 . 1 . . . . . 40 ILE HB . 27453 1 491 . 1 1 40 40 ILE HG12 H 1 1.504 0.02 . 1 . . . . . 40 ILE HG12 . 27453 1 492 . 1 1 40 40 ILE HG13 H 1 1.504 0.02 . 1 . . . . . 40 ILE HG13 . 27453 1 493 . 1 1 40 40 ILE HG21 H 1 0.956 0.02 . 1 . . . . . 40 ILE HG2 . 27453 1 494 . 1 1 40 40 ILE HG22 H 1 0.956 0.02 . 1 . . . . . 40 ILE HG2 . 27453 1 495 . 1 1 40 40 ILE HG23 H 1 0.956 0.02 . 1 . . . . . 40 ILE HG2 . 27453 1 496 . 1 1 40 40 ILE HD11 H 1 0.859 0.02 . 1 . . . . . 40 ILE HD1 . 27453 1 497 . 1 1 40 40 ILE HD12 H 1 0.859 0.02 . 1 . . . . . 40 ILE HD1 . 27453 1 498 . 1 1 40 40 ILE HD13 H 1 0.859 0.02 . 1 . . . . . 40 ILE HD1 . 27453 1 499 . 1 1 40 40 ILE C C 13 178.309 0.3 . 1 . . . . . 40 ILE C . 27453 1 500 . 1 1 40 40 ILE CA C 13 61.524 0.3 . 1 . . . . . 40 ILE CA . 27453 1 501 . 1 1 40 40 ILE CB C 13 35.302 0.3 . 1 . . . . . 40 ILE CB . 27453 1 502 . 1 1 40 40 ILE CG1 C 13 27.513 0.3 . 1 . . . . . 40 ILE CG1 . 27453 1 503 . 1 1 40 40 ILE CG2 C 13 17.045 0.3 . 1 . . . . . 40 ILE CG2 . 27453 1 504 . 1 1 40 40 ILE CD1 C 13 9.742 0.3 . 1 . . . . . 40 ILE CD1 . 27453 1 505 . 1 1 40 40 ILE N N 15 129.323 0.3 . 1 . . . . . 40 ILE N . 27453 1 506 . 1 1 41 41 GLY H H 1 9.083 0.02 . 1 . . . . . 41 GLY H . 27453 1 507 . 1 1 41 41 GLY HA2 H 1 4.293 0.02 . 2 . . . . . 41 GLY HA2 . 27453 1 508 . 1 1 41 41 GLY HA3 H 1 4.062 0.02 . 2 . . . . . 41 GLY HA3 . 27453 1 509 . 1 1 41 41 GLY C C 13 176.399 0.3 . 1 . . . . . 41 GLY C . 27453 1 510 . 1 1 41 41 GLY CA C 13 45.563 0.3 . 1 . . . . . 41 GLY CA . 27453 1 511 . 1 1 41 41 GLY N N 15 115.514 0.3 . 1 . . . . . 41 GLY N . 27453 1 512 . 1 1 42 42 ILE H H 1 7.384 0.02 . 1 . . . . . 42 ILE H . 27453 1 513 . 1 1 42 42 ILE HA H 1 4.048 0.02 . 1 . . . . . 42 ILE HA . 27453 1 514 . 1 1 42 42 ILE HB H 1 2.431 0.02 . 1 . . . . . 42 ILE HB . 27453 1 515 . 1 1 42 42 ILE HG12 H 1 1.554 0.02 . 2 . . . . . 42 ILE HG12 . 27453 1 516 . 1 1 42 42 ILE HG13 H 1 1.314 0.02 . 2 . . . . . 42 ILE HG13 . 27453 1 517 . 1 1 42 42 ILE HG21 H 1 1.087 0.02 . 1 . . . . . 42 ILE HG2 . 27453 1 518 . 1 1 42 42 ILE HG22 H 1 1.087 0.02 . 1 . . . . . 42 ILE HG2 . 27453 1 519 . 1 1 42 42 ILE HG23 H 1 1.087 0.02 . 1 . . . . . 42 ILE HG2 . 27453 1 520 . 1 1 42 42 ILE HD11 H 1 0.953 0.02 . 1 . . . . . 42 ILE HD1 . 27453 1 521 . 1 1 42 42 ILE HD12 H 1 0.953 0.02 . 1 . . . . . 42 ILE HD1 . 27453 1 522 . 1 1 42 42 ILE HD13 H 1 0.953 0.02 . 1 . . . . . 42 ILE HD1 . 27453 1 523 . 1 1 42 42 ILE C C 13 175.787 0.3 . 1 . . . . . 42 ILE C . 27453 1 524 . 1 1 42 42 ILE CA C 13 63.328 0.3 . 1 . . . . . 42 ILE CA . 27453 1 525 . 1 1 42 42 ILE CB C 13 37.915 0.3 . 1 . . . . . 42 ILE CB . 27453 1 526 . 1 1 42 42 ILE CG1 C 13 30.067 0.3 . 1 . . . . . 42 ILE CG1 . 27453 1 527 . 1 1 42 42 ILE CG2 C 13 17.945 0.3 . 1 . . . . . 42 ILE CG2 . 27453 1 528 . 1 1 42 42 ILE CD1 C 13 16.13 0.3 . 1 . . . . . 42 ILE CD1 . 27453 1 529 . 1 1 42 42 ILE N N 15 120.919 0.3 . 1 . . . . . 42 ILE N . 27453 1 530 . 1 1 43 43 PHE H H 1 9.026 0.02 . 1 . . . . . 43 PHE H . 27453 1 531 . 1 1 43 43 PHE HA H 1 4.038 0.02 . 1 . . . . . 43 PHE HA . 27453 1 532 . 1 1 43 43 PHE HB2 H 1 3.219 0.02 . 2 . . . . . 43 PHE HB2 . 27453 1 533 . 1 1 43 43 PHE HB3 H 1 2.842 0.02 . 2 . . . . . 43 PHE HB3 . 27453 1 534 . 1 1 43 43 PHE HD1 H 1 7.107 0.02 . 1 . . . . . 43 PHE HD1 . 27453 1 535 . 1 1 43 43 PHE C C 13 176.147 0.3 . 1 . . . . . 43 PHE C . 27453 1 536 . 1 1 43 43 PHE CA C 13 61.841 0.3 . 1 . . . . . 43 PHE CA . 27453 1 537 . 1 1 43 43 PHE CB C 13 39.061 0.3 . 1 . . . . . 43 PHE CB . 27453 1 538 . 1 1 43 43 PHE CD1 C 13 127.445 0.3 . 1 . . . . . 43 PHE CD1 . 27453 1 539 . 1 1 43 43 PHE N N 15 122.409 0.3 . 1 . . . . . 43 PHE N . 27453 1 540 . 1 1 44 44 ASP H H 1 7.541 0.02 . 1 . . . . . 44 ASP H . 27453 1 541 . 1 1 44 44 ASP HA H 1 4.15 0.02 . 1 . . . . . 44 ASP HA . 27453 1 542 . 1 1 44 44 ASP HB2 H 1 2.709 0.02 . 2 . . . . . 44 ASP HB2 . 27453 1 543 . 1 1 44 44 ASP HB3 H 1 2.685 0.02 . 2 . . . . . 44 ASP HB3 . 27453 1 544 . 1 1 44 44 ASP C C 13 178.703 0.3 . 1 . . . . . 44 ASP C . 27453 1 545 . 1 1 44 44 ASP CA C 13 57.392 0.3 . 1 . . . . . 44 ASP CA . 27453 1 546 . 1 1 44 44 ASP CB C 13 39.9 0.3 . 1 . . . . . 44 ASP CB . 27453 1 547 . 1 1 44 44 ASP N N 15 116.318 0.3 . 1 . . . . . 44 ASP N . 27453 1 548 . 1 1 45 45 ASP H H 1 7.165 0.02 . 1 . . . . . 45 ASP H . 27453 1 549 . 1 1 45 45 ASP HA H 1 4.426 0.02 . 1 . . . . . 45 ASP HA . 27453 1 550 . 1 1 45 45 ASP HB2 H 1 2.852 0.02 . 2 . . . . . 45 ASP HB2 . 27453 1 551 . 1 1 45 45 ASP HB3 H 1 2.706 0.02 . 2 . . . . . 45 ASP HB3 . 27453 1 552 . 1 1 45 45 ASP C C 13 179.446 0.3 . 1 . . . . . 45 ASP C . 27453 1 553 . 1 1 45 45 ASP CA C 13 56.83 0.3 . 1 . . . . . 45 ASP CA . 27453 1 554 . 1 1 45 45 ASP CB C 13 40.159 0.3 . 1 . . . . . 45 ASP CB . 27453 1 555 . 1 1 45 45 ASP N N 15 119.975 0.3 . 1 . . . . . 45 ASP N . 27453 1 556 . 1 1 46 46 LEU H H 1 7.966 0.02 . 1 . . . . . 46 LEU H . 27453 1 557 . 1 1 46 46 LEU HA H 1 4.002 0.02 . 1 . . . . . 46 LEU HA . 27453 1 558 . 1 1 46 46 LEU HB2 H 1 2.01 0.02 . 2 . . . . . 46 LEU HB2 . 27453 1 559 . 1 1 46 46 LEU HB3 H 1 1.281 0.02 . 2 . . . . . 46 LEU HB3 . 27453 1 560 . 1 1 46 46 LEU HG H 1 1.553 0.02 . 1 . . . . . 46 LEU HG . 27453 1 561 . 1 1 46 46 LEU HD11 H 1 0.91 0.02 . 2 . . . . . 46 LEU HD1 . 27453 1 562 . 1 1 46 46 LEU HD12 H 1 0.91 0.02 . 2 . . . . . 46 LEU HD1 . 27453 1 563 . 1 1 46 46 LEU HD13 H 1 0.91 0.02 . 2 . . . . . 46 LEU HD1 . 27453 1 564 . 1 1 46 46 LEU HD21 H 1 0.469 0.02 . 2 . . . . . 46 LEU HD2 . 27453 1 565 . 1 1 46 46 LEU HD22 H 1 0.469 0.02 . 2 . . . . . 46 LEU HD2 . 27453 1 566 . 1 1 46 46 LEU HD23 H 1 0.469 0.02 . 2 . . . . . 46 LEU HD2 . 27453 1 567 . 1 1 46 46 LEU C C 13 178.787 0.3 . 1 . . . . . 46 LEU C . 27453 1 568 . 1 1 46 46 LEU CA C 13 57.598 0.3 . 1 . . . . . 46 LEU CA . 27453 1 569 . 1 1 46 46 LEU CB C 13 42.307 0.3 . 1 . . . . . 46 LEU CB . 27453 1 570 . 1 1 46 46 LEU CG C 13 26.685 0.3 . 1 . . . . . 46 LEU CG . 27453 1 571 . 1 1 46 46 LEU CD1 C 13 26.692 0.3 . 1 . . . . . 46 LEU CD1 . 27453 1 572 . 1 1 46 46 LEU CD2 C 13 24.277 0.3 . 1 . . . . . 46 LEU CD2 . 27453 1 573 . 1 1 46 46 LEU N N 15 121.808 0.3 . 1 . . . . . 46 LEU N . 27453 1 574 . 1 1 47 47 ILE H H 1 8.278 0.02 . 1 . . . . . 47 ILE H . 27453 1 575 . 1 1 47 47 ILE HA H 1 3.744 0.02 . 1 . . . . . 47 ILE HA . 27453 1 576 . 1 1 47 47 ILE HB H 1 1.897 0.02 . 1 . . . . . 47 ILE HB . 27453 1 577 . 1 1 47 47 ILE HG12 H 1 0.845 0.02 . 1 . . . . . 47 ILE HG12 . 27453 1 578 . 1 1 47 47 ILE HG13 H 1 0.845 0.02 . 1 . . . . . 47 ILE HG13 . 27453 1 579 . 1 1 47 47 ILE HG21 H 1 0.797 0.02 . 1 . . . . . 47 ILE HG2 . 27453 1 580 . 1 1 47 47 ILE HG22 H 1 0.797 0.02 . 1 . . . . . 47 ILE HG2 . 27453 1 581 . 1 1 47 47 ILE HG23 H 1 0.797 0.02 . 1 . . . . . 47 ILE HG2 . 27453 1 582 . 1 1 47 47 ILE HD11 H 1 0.339 0.02 . 1 . . . . . 47 ILE HD1 . 27453 1 583 . 1 1 47 47 ILE HD12 H 1 0.339 0.02 . 1 . . . . . 47 ILE HD1 . 27453 1 584 . 1 1 47 47 ILE HD13 H 1 0.339 0.02 . 1 . . . . . 47 ILE HD1 . 27453 1 585 . 1 1 47 47 ILE C C 13 177.49 0.3 . 1 . . . . . 47 ILE C . 27453 1 586 . 1 1 47 47 ILE CA C 13 61.646 0.3 . 1 . . . . . 47 ILE CA . 27453 1 587 . 1 1 47 47 ILE CB C 13 34.863 0.3 . 1 . . . . . 47 ILE CB . 27453 1 588 . 1 1 47 47 ILE CG1 C 13 26.312 0.3 . 1 . . . . . 47 ILE CG1 . 27453 1 589 . 1 1 47 47 ILE CG2 C 13 17.667 0.3 . 1 . . . . . 47 ILE CG2 . 27453 1 590 . 1 1 47 47 ILE CD1 C 13 9.541 0.3 . 1 . . . . . 47 ILE CD1 . 27453 1 591 . 1 1 47 47 ILE N N 15 120.998 0.3 . 1 . . . . . 47 ILE N . 27453 1 592 . 1 1 48 48 ASP H H 1 7.637 0.02 . 1 . . . . . 48 ASP H . 27453 1 593 . 1 1 48 48 ASP HA H 1 4.387 0.02 . 1 . . . . . 48 ASP HA . 27453 1 594 . 1 1 48 48 ASP HB2 H 1 2.842 0.02 . 2 . . . . . 48 ASP HB2 . 27453 1 595 . 1 1 48 48 ASP HB3 H 1 2.758 0.02 . 2 . . . . . 48 ASP HB3 . 27453 1 596 . 1 1 48 48 ASP C C 13 177.991 0.3 . 1 . . . . . 48 ASP C . 27453 1 597 . 1 1 48 48 ASP CA C 13 57.65 0.3 . 1 . . . . . 48 ASP CA . 27453 1 598 . 1 1 48 48 ASP CB C 13 41.152 0.3 . 1 . . . . . 48 ASP CB . 27453 1 599 . 1 1 48 48 ASP N N 15 120.239 0.3 . 1 . . . . . 48 ASP N . 27453 1 600 . 1 1 49 49 PHE H H 1 7.469 0.02 . 1 . . . . . 49 PHE H . 27453 1 601 . 1 1 49 49 PHE HA H 1 4.133 0.02 . 1 . . . . . 49 PHE HA . 27453 1 602 . 1 1 49 49 PHE HB2 H 1 3.505 0.02 . 2 . . . . . 49 PHE HB2 . 27453 1 603 . 1 1 49 49 PHE HB3 H 1 3.188 0.02 . 2 . . . . . 49 PHE HB3 . 27453 1 604 . 1 1 49 49 PHE HD1 H 1 6.811 0.02 . 1 . . . . . 49 PHE HD1 . 27453 1 605 . 1 1 49 49 PHE HD2 H 1 6.811 0.02 . 1 . . . . . 49 PHE HD2 . 27453 1 606 . 1 1 49 49 PHE HE1 H 1 6.285 0.02 . 1 . . . . . 49 PHE HE1 . 27453 1 607 . 1 1 49 49 PHE HE2 H 1 6.285 0.02 . 1 . . . . . 49 PHE HE2 . 27453 1 608 . 1 1 49 49 PHE HZ H 1 6.407 0.02 . 1 . . . . . 49 PHE HZ . 27453 1 609 . 1 1 49 49 PHE C C 13 177.888 0.3 . 1 . . . . . 49 PHE C . 27453 1 610 . 1 1 49 49 PHE CA C 13 61.729 0.3 . 1 . . . . . 49 PHE CA . 27453 1 611 . 1 1 49 49 PHE CB C 13 39.597 0.3 . 1 . . . . . 49 PHE CB . 27453 1 612 . 1 1 49 49 PHE CD1 C 13 128.169 0.3 . 1 . . . . . 49 PHE CD1 . 27453 1 613 . 1 1 49 49 PHE CD2 C 13 128.169 0.3 . 1 . . . . . 49 PHE CD2 . 27453 1 614 . 1 1 49 49 PHE CE1 C 13 126.714 0.3 . 1 . . . . . 49 PHE CE1 . 27453 1 615 . 1 1 49 49 PHE CE2 C 13 126.714 0.3 . 1 . . . . . 49 PHE CE2 . 27453 1 616 . 1 1 49 49 PHE CZ C 13 126.052 0.3 . 1 . . . . . 49 PHE CZ . 27453 1 617 . 1 1 49 49 PHE N N 15 118.354 0.3 . 1 . . . . . 49 PHE N . 27453 1 618 . 1 1 50 50 TYR H H 1 9.153 0.02 . 1 . . . . . 50 TYR H . 27453 1 619 . 1 1 50 50 TYR HA H 1 3.967 0.02 . 1 . . . . . 50 TYR HA . 27453 1 620 . 1 1 50 50 TYR HB2 H 1 3.063 0.02 . 1 . . . . . 50 TYR HB2 . 27453 1 621 . 1 1 50 50 TYR HB3 H 1 3.063 0.02 . 1 . . . . . 50 TYR HB3 . 27453 1 622 . 1 1 50 50 TYR HD1 H 1 6.744 0.02 . 1 . . . . . 50 TYR HD1 . 27453 1 623 . 1 1 50 50 TYR HD2 H 1 6.744 0.02 . 1 . . . . . 50 TYR HD2 . 27453 1 624 . 1 1 50 50 TYR HE1 H 1 6.517 0.02 . 1 . . . . . 50 TYR HE1 . 27453 1 625 . 1 1 50 50 TYR C C 13 178.08 0.3 . 1 . . . . . 50 TYR C . 27453 1 626 . 1 1 50 50 TYR CA C 13 61.177 0.3 . 1 . . . . . 50 TYR CA . 27453 1 627 . 1 1 50 50 TYR CB C 13 39.746 0.3 . 1 . . . . . 50 TYR CB . 27453 1 628 . 1 1 50 50 TYR CD1 C 13 128.512 0.3 . 1 . . . . . 50 TYR CD1 . 27453 1 629 . 1 1 50 50 TYR CD2 C 13 128.512 0.3 . 1 . . . . . 50 TYR CD2 . 27453 1 630 . 1 1 50 50 TYR CE1 C 13 113.977 0.3 . 1 . . . . . 50 TYR CE1 . 27453 1 631 . 1 1 50 50 TYR N N 15 121.629 0.3 . 1 . . . . . 50 TYR N . 27453 1 632 . 1 1 51 51 GLU H H 1 8.733 0.02 . 1 . . . . . 51 GLU H . 27453 1 633 . 1 1 51 51 GLU HA H 1 4.112 0.02 . 1 . . . . . 51 GLU HA . 27453 1 634 . 1 1 51 51 GLU HB2 H 1 2.163 0.02 . 1 . . . . . 51 GLU HB2 . 27453 1 635 . 1 1 51 51 GLU HB3 H 1 2.163 0.02 . 1 . . . . . 51 GLU HB3 . 27453 1 636 . 1 1 51 51 GLU HG2 H 1 2.743 0.02 . 2 . . . . . 51 GLU HG2 . 27453 1 637 . 1 1 51 51 GLU HG3 H 1 2.505 0.02 . 2 . . . . . 51 GLU HG3 . 27453 1 638 . 1 1 51 51 GLU C C 13 177.127 0.3 . 1 . . . . . 51 GLU C . 27453 1 639 . 1 1 51 51 GLU CA C 13 58.246 0.3 . 1 . . . . . 51 GLU CA . 27453 1 640 . 1 1 51 51 GLU CB C 13 29.533 0.3 . 1 . . . . . 51 GLU CB . 27453 1 641 . 1 1 51 51 GLU CG C 13 37.28 0.3 . 1 . . . . . 51 GLU CG . 27453 1 642 . 1 1 51 51 GLU N N 15 117.073 0.3 . 1 . . . . . 51 GLU N . 27453 1 643 . 1 1 52 52 ARG H H 1 7.322 0.02 . 1 . . . . . 52 ARG H . 27453 1 644 . 1 1 52 52 ARG HA H 1 4.235 0.02 . 1 . . . . . 52 ARG HA . 27453 1 645 . 1 1 52 52 ARG HB2 H 1 1.888 0.02 . 2 . . . . . 52 ARG HB2 . 27453 1 646 . 1 1 52 52 ARG HB3 H 1 1.633 0.02 . 2 . . . . . 52 ARG HB3 . 27453 1 647 . 1 1 52 52 ARG HD2 H 1 3.092 0.02 . 1 . . . . . 52 ARG HD2 . 27453 1 648 . 1 1 52 52 ARG HD3 H 1 3.092 0.02 . 1 . . . . . 52 ARG HD3 . 27453 1 649 . 1 1 52 52 ARG C C 13 176.829 0.3 . 1 . . . . . 52 ARG C . 27453 1 650 . 1 1 52 52 ARG CA C 13 56.191 0.3 . 1 . . . . . 52 ARG CA . 27453 1 651 . 1 1 52 52 ARG CB C 13 30.427 0.3 . 1 . . . . . 52 ARG CB . 27453 1 652 . 1 1 52 52 ARG CG C 13 27.545 0.3 . 1 . . . . . 52 ARG CG . 27453 1 653 . 1 1 52 52 ARG CD C 13 43.435 0.3 . 1 . . . . . 52 ARG CD . 27453 1 654 . 1 1 52 52 ARG N N 15 116.32 0.3 . 1 . . . . . 52 ARG N . 27453 1 655 . 1 1 53 53 LEU H H 1 7.217 0.02 . 1 . . . . . 53 LEU H . 27453 1 656 . 1 1 53 53 LEU HA H 1 4.124 0.02 . 1 . . . . . 53 LEU HA . 27453 1 657 . 1 1 53 53 LEU HB2 H 1 1.514 0.02 . 2 . . . . . 53 LEU HB2 . 27453 1 658 . 1 1 53 53 LEU HB3 H 1 1.113 0.02 . 2 . . . . . 53 LEU HB3 . 27453 1 659 . 1 1 53 53 LEU HG H 1 1.719 0.02 . 1 . . . . . 53 LEU HG . 27453 1 660 . 1 1 53 53 LEU HD11 H 1 0.909 0.02 . 2 . . . . . 53 LEU HD1 . 27453 1 661 . 1 1 53 53 LEU HD12 H 1 0.909 0.02 . 2 . . . . . 53 LEU HD1 . 27453 1 662 . 1 1 53 53 LEU HD13 H 1 0.909 0.02 . 2 . . . . . 53 LEU HD1 . 27453 1 663 . 1 1 53 53 LEU HD21 H 1 0.8 0.02 . 2 . . . . . 53 LEU HD2 . 27453 1 664 . 1 1 53 53 LEU HD22 H 1 0.8 0.02 . 2 . . . . . 53 LEU HD2 . 27453 1 665 . 1 1 53 53 LEU HD23 H 1 0.8 0.02 . 2 . . . . . 53 LEU HD2 . 27453 1 666 . 1 1 53 53 LEU C C 13 177.134 0.3 . 1 . . . . . 53 LEU C . 27453 1 667 . 1 1 53 53 LEU CA C 13 54.367 0.3 . 1 . . . . . 53 LEU CA . 27453 1 668 . 1 1 53 53 LEU CB C 13 41.73 0.3 . 1 . . . . . 53 LEU CB . 27453 1 669 . 1 1 53 53 LEU CG C 13 25.825 0.3 . 1 . . . . . 53 LEU CG . 27453 1 670 . 1 1 53 53 LEU CD1 C 13 25.877 0.3 . 1 . . . . . 53 LEU CD1 . 27453 1 671 . 1 1 53 53 LEU CD2 C 13 22.248 0.3 . 1 . . . . . 53 LEU CD2 . 27453 1 672 . 1 1 53 53 LEU N N 15 120.177 0.3 . 1 . . . . . 53 LEU N . 27453 1 673 . 1 1 54 54 ASP H H 1 8.428 0.02 . 1 . . . . . 54 ASP H . 27453 1 674 . 1 1 54 54 ASP HA H 1 4.354 0.02 . 1 . . . . . 54 ASP HA . 27453 1 675 . 1 1 54 54 ASP HB2 H 1 2.651 0.02 . 2 . . . . . 54 ASP HB2 . 27453 1 676 . 1 1 54 54 ASP HB3 H 1 2.586 0.02 . 2 . . . . . 54 ASP HB3 . 27453 1 677 . 1 1 54 54 ASP C C 13 176.623 0.3 . 1 . . . . . 54 ASP C . 27453 1 678 . 1 1 54 54 ASP CA C 13 56.065 0.3 . 1 . . . . . 54 ASP CA . 27453 1 679 . 1 1 54 54 ASP CB C 13 41.11 0.3 . 1 . . . . . 54 ASP CB . 27453 1 680 . 1 1 54 54 ASP N N 15 122.376 0.3 . 1 . . . . . 54 ASP N . 27453 1 681 . 1 1 55 55 THR H H 1 8 0.02 . 1 . . . . . 55 THR H . 27453 1 682 . 1 1 55 55 THR HA H 1 4.305 0.02 . 1 . . . . . 55 THR HA . 27453 1 683 . 1 1 55 55 THR HB H 1 3.986 0.02 . 1 . . . . . 55 THR HB . 27453 1 684 . 1 1 55 55 THR HG21 H 1 1.046 0.02 . 1 . . . . . 55 THR HG2 . 27453 1 685 . 1 1 55 55 THR HG22 H 1 1.046 0.02 . 1 . . . . . 55 THR HG2 . 27453 1 686 . 1 1 55 55 THR HG23 H 1 1.046 0.02 . 1 . . . . . 55 THR HG2 . 27453 1 687 . 1 1 55 55 THR C C 13 171.567 0.3 . 1 . . . . . 55 THR C . 27453 1 688 . 1 1 55 55 THR CA C 13 58.787 0.3 . 1 . . . . . 55 THR CA . 27453 1 689 . 1 1 55 55 THR CB C 13 69.767 0.3 . 1 . . . . . 55 THR CB . 27453 1 690 . 1 1 55 55 THR CG2 C 13 21.306 0.3 . 1 . . . . . 55 THR CG2 . 27453 1 691 . 1 1 55 55 THR N N 15 113.066 0.3 . 1 . . . . . 55 THR N . 27453 1 692 . 1 1 56 56 PRO HA H 1 4.151 0.02 . 1 . . . . . 56 PRO HA . 27453 1 693 . 1 1 56 56 PRO HB2 H 1 1.569 0.02 . 2 . . . . . 56 PRO HB2 . 27453 1 694 . 1 1 56 56 PRO HB3 H 1 1.398 0.02 . 2 . . . . . 56 PRO HB3 . 27453 1 695 . 1 1 56 56 PRO HG2 H 1 1.742 0.02 . 1 . . . . . 56 PRO HG2 . 27453 1 696 . 1 1 56 56 PRO HG3 H 1 1.742 0.02 . 1 . . . . . 56 PRO HG3 . 27453 1 697 . 1 1 56 56 PRO HD2 H 1 3.468 0.02 . 2 . . . . . 56 PRO HD2 . 27453 1 698 . 1 1 56 56 PRO HD3 H 1 3.252 0.02 . 2 . . . . . 56 PRO HD3 . 27453 1 699 . 1 1 56 56 PRO CA C 13 60.228 0.3 . 1 . . . . . 56 PRO CA . 27453 1 700 . 1 1 56 56 PRO CB C 13 30.976 0.3 . 1 . . . . . 56 PRO CB . 27453 1 701 . 1 1 56 56 PRO CG C 13 27.185 0.3 . 1 . . . . . 56 PRO CG . 27453 1 702 . 1 1 56 56 PRO CD C 13 50.23 0.3 . 1 . . . . . 56 PRO CD . 27453 1 703 . 1 1 57 57 PRO HA H 1 4.12 0.02 . 1 . . . . . 57 PRO HA . 27453 1 704 . 1 1 57 57 PRO HB2 H 1 1.895 0.02 . 1 . . . . . 57 PRO HB2 . 27453 1 705 . 1 1 57 57 PRO HB3 H 1 1.895 0.02 . 1 . . . . . 57 PRO HB3 . 27453 1 706 . 1 1 57 57 PRO HG2 H 1 1.76 0.02 . 1 . . . . . 57 PRO HG2 . 27453 1 707 . 1 1 57 57 PRO HG3 H 1 1.76 0.02 . 1 . . . . . 57 PRO HG3 . 27453 1 708 . 1 1 57 57 PRO HD2 H 1 3.786 0.02 . 1 . . . . . 57 PRO HD2 . 27453 1 709 . 1 1 57 57 PRO HD3 H 1 3.786 0.02 . 1 . . . . . 57 PRO HD3 . 27453 1 710 . 1 1 57 57 PRO CA C 13 62.904 0.3 . 1 . . . . . 57 PRO CA . 27453 1 711 . 1 1 57 57 PRO CD C 13 50.409 0.3 . 1 . . . . . 57 PRO CD . 27453 1 712 . 1 1 59 59 SER HA H 1 4.456 0.02 . 1 . . . . . 59 SER HA . 27453 1 713 . 1 1 59 59 SER HB2 H 1 3.866 0.02 . 1 . . . . . 59 SER HB2 . 27453 1 714 . 1 1 59 59 SER HB3 H 1 3.866 0.02 . 1 . . . . . 59 SER HB3 . 27453 1 715 . 1 1 59 59 SER CA C 13 57.538 0.3 . 1 . . . . . 59 SER CA . 27453 1 716 . 1 1 59 59 SER CB C 13 62.675 0.3 . 1 . . . . . 59 SER CB . 27453 1 717 . 1 1 60 60 LYS H H 1 8.979 0.02 . 1 . . . . . 60 LYS H . 27453 1 718 . 1 1 60 60 LYS HA H 1 3.532 0.02 . 1 . . . . . 60 LYS HA . 27453 1 719 . 1 1 60 60 LYS HB2 H 1 1.755 0.02 . 1 . . . . . 60 LYS HB2 . 27453 1 720 . 1 1 60 60 LYS HB3 H 1 1.755 0.02 . 1 . . . . . 60 LYS HB3 . 27453 1 721 . 1 1 60 60 LYS HG2 H 1 0.723 0.02 . 1 . . . . . 60 LYS HG2 . 27453 1 722 . 1 1 60 60 LYS HG3 H 1 0.723 0.02 . 1 . . . . . 60 LYS HG3 . 27453 1 723 . 1 1 60 60 LYS HD2 H 1 1.737 0.02 . 1 . . . . . 60 LYS HD2 . 27453 1 724 . 1 1 60 60 LYS HD3 H 1 1.737 0.02 . 1 . . . . . 60 LYS HD3 . 27453 1 725 . 1 1 60 60 LYS HE2 H 1 3.089 0.02 . 2 . . . . . 60 LYS HE2 . 27453 1 726 . 1 1 60 60 LYS HE3 H 1 2.823 0.02 . 2 . . . . . 60 LYS HE3 . 27453 1 727 . 1 1 60 60 LYS C C 13 178.922 0.3 . 1 . . . . . 60 LYS C . 27453 1 728 . 1 1 60 60 LYS CA C 13 60.789 0.3 . 1 . . . . . 60 LYS CA . 27453 1 729 . 1 1 60 60 LYS CB C 13 32.432 0.3 . 1 . . . . . 60 LYS CB . 27453 1 730 . 1 1 60 60 LYS CG C 13 26.667 0.3 . 1 . . . . . 60 LYS CG . 27453 1 731 . 1 1 60 60 LYS CD C 13 30.062 0.3 . 1 . . . . . 60 LYS CD . 27453 1 732 . 1 1 60 60 LYS CE C 13 41.985 0.3 . 1 . . . . . 60 LYS CE . 27453 1 733 . 1 1 60 60 LYS N N 15 121.815 0.3 . 1 . . . . . 60 LYS N . 27453 1 734 . 1 1 61 61 LYS H H 1 8.219 0.02 . 1 . . . . . 61 LYS H . 27453 1 735 . 1 1 61 61 LYS HA H 1 3.993 0.02 . 1 . . . . . 61 LYS HA . 27453 1 736 . 1 1 61 61 LYS C C 13 178.647 0.3 . 1 . . . . . 61 LYS C . 27453 1 737 . 1 1 61 61 LYS CA C 13 59.637 0.3 . 1 . . . . . 61 LYS CA . 27453 1 738 . 1 1 61 61 LYS CB C 13 32.366 0.3 . 1 . . . . . 61 LYS CB . 27453 1 739 . 1 1 61 61 LYS N N 15 119.787 0.3 . 1 . . . . . 61 LYS N . 27453 1 740 . 1 1 62 62 SER H H 1 8.15 0.02 . 1 . . . . . 62 SER H . 27453 1 741 . 1 1 62 62 SER HA H 1 4.014 0.02 . 1 . . . . . 62 SER HA . 27453 1 742 . 1 1 62 62 SER HB2 H 1 3.718 0.02 . 1 . . . . . 62 SER HB2 . 27453 1 743 . 1 1 62 62 SER HB3 H 1 3.718 0.02 . 1 . . . . . 62 SER HB3 . 27453 1 744 . 1 1 62 62 SER C C 13 178.617 0.3 . 1 . . . . . 62 SER C . 27453 1 745 . 1 1 62 62 SER CA C 13 62.254 0.3 . 1 . . . . . 62 SER CA . 27453 1 746 . 1 1 62 62 SER N N 15 116.608 0.3 . 1 . . . . . 62 SER N . 27453 1 747 . 1 1 63 63 LEU H H 1 7.735 0.02 . 1 . . . . . 63 LEU H . 27453 1 748 . 1 1 63 63 LEU HA H 1 3.913 0.02 . 1 . . . . . 63 LEU HA . 27453 1 749 . 1 1 63 63 LEU HB2 H 1 2.189 0.02 . 2 . . . . . 63 LEU HB2 . 27453 1 750 . 1 1 63 63 LEU HB3 H 1 1.453 0.02 . 2 . . . . . 63 LEU HB3 . 27453 1 751 . 1 1 63 63 LEU HG H 1 1.637 0.02 . 1 . . . . . 63 LEU HG . 27453 1 752 . 1 1 63 63 LEU HD11 H 1 0.743 0.02 . 2 . . . . . 63 LEU HD1 . 27453 1 753 . 1 1 63 63 LEU HD12 H 1 0.743 0.02 . 2 . . . . . 63 LEU HD1 . 27453 1 754 . 1 1 63 63 LEU HD13 H 1 0.743 0.02 . 2 . . . . . 63 LEU HD1 . 27453 1 755 . 1 1 63 63 LEU HD21 H 1 0.864 0.02 . 2 . . . . . 63 LEU HD2 . 27453 1 756 . 1 1 63 63 LEU HD22 H 1 0.864 0.02 . 2 . . . . . 63 LEU HD2 . 27453 1 757 . 1 1 63 63 LEU HD23 H 1 0.864 0.02 . 2 . . . . . 63 LEU HD2 . 27453 1 758 . 1 1 63 63 LEU C C 13 177.222 0.3 . 1 . . . . . 63 LEU C . 27453 1 759 . 1 1 63 63 LEU CA C 13 58.194 0.3 . 1 . . . . . 63 LEU CA . 27453 1 760 . 1 1 63 63 LEU CB C 13 41.202 0.3 . 1 . . . . . 63 LEU CB . 27453 1 761 . 1 1 63 63 LEU CG C 13 27.112 0.3 . 1 . . . . . 63 LEU CG . 27453 1 762 . 1 1 63 63 LEU CD1 C 13 25.617 0.3 . 1 . . . . . 63 LEU CD1 . 27453 1 763 . 1 1 63 63 LEU CD2 C 13 23.101 0.3 . 1 . . . . . 63 LEU CD2 . 27453 1 764 . 1 1 63 63 LEU N N 15 123.24 0.3 . 1 . . . . . 63 LEU N . 27453 1 765 . 1 1 64 64 ARG H H 1 8.233 0.02 . 1 . . . . . 64 ARG H . 27453 1 766 . 1 1 64 64 ARG HA H 1 3.673 0.02 . 1 . . . . . 64 ARG HA . 27453 1 767 . 1 1 64 64 ARG HB2 H 1 1.997 0.02 . 2 . . . . . 64 ARG HB2 . 27453 1 768 . 1 1 64 64 ARG HB3 H 1 1.775 0.02 . 2 . . . . . 64 ARG HB3 . 27453 1 769 . 1 1 64 64 ARG HG2 H 1 1.434 0.02 . 2 . . . . . 64 ARG HG2 . 27453 1 770 . 1 1 64 64 ARG HG3 H 1 1.136 0.02 . 2 . . . . . 64 ARG HG3 . 27453 1 771 . 1 1 64 64 ARG HD2 H 1 2.821 0.02 . 2 . . . . . 64 ARG HD2 . 27453 1 772 . 1 1 64 64 ARG HD3 H 1 2.593 0.02 . 2 . . . . . 64 ARG HD3 . 27453 1 773 . 1 1 64 64 ARG C C 13 179.497 0.3 . 1 . . . . . 64 ARG C . 27453 1 774 . 1 1 64 64 ARG CA C 13 59.539 0.3 . 1 . . . . . 64 ARG CA . 27453 1 775 . 1 1 64 64 ARG CB C 13 30.224 0.3 . 1 . . . . . 64 ARG CB . 27453 1 776 . 1 1 64 64 ARG CG C 13 26.467 0.3 . 1 . . . . . 64 ARG CG . 27453 1 777 . 1 1 64 64 ARG CD C 13 42.995 0.3 . 1 . . . . . 64 ARG CD . 27453 1 778 . 1 1 64 64 ARG N N 15 119.587 0.3 . 1 . . . . . 64 ARG N . 27453 1 779 . 1 1 65 65 GLU H H 1 8.431 0.02 . 1 . . . . . 65 GLU H . 27453 1 780 . 1 1 65 65 GLU HA H 1 4 0.02 . 1 . . . . . 65 GLU HA . 27453 1 781 . 1 1 65 65 GLU HB2 H 1 2.092 0.02 . 2 . . . . . 65 GLU HB2 . 27453 1 782 . 1 1 65 65 GLU HB3 H 1 1.951 0.02 . 2 . . . . . 65 GLU HB3 . 27453 1 783 . 1 1 65 65 GLU HG2 H 1 2.362 0.02 . 1 . . . . . 65 GLU HG2 . 27453 1 784 . 1 1 65 65 GLU HG3 H 1 2.362 0.02 . 1 . . . . . 65 GLU HG3 . 27453 1 785 . 1 1 65 65 GLU C C 13 179.59 0.3 . 1 . . . . . 65 GLU C . 27453 1 786 . 1 1 65 65 GLU CA C 13 59.191 0.3 . 1 . . . . . 65 GLU CA . 27453 1 787 . 1 1 65 65 GLU CB C 13 29.754 0.3 . 1 . . . . . 65 GLU CB . 27453 1 788 . 1 1 65 65 GLU CG C 13 36.543 0.3 . 1 . . . . . 65 GLU CG . 27453 1 789 . 1 1 65 65 GLU N N 15 119.023 0.3 . 1 . . . . . 65 GLU N . 27453 1 790 . 1 1 66 66 ALA H H 1 8.373 0.02 . 1 . . . . . 66 ALA H . 27453 1 791 . 1 1 66 66 ALA HA H 1 4.016 0.02 . 1 . . . . . 66 ALA HA . 27453 1 792 . 1 1 66 66 ALA HB1 H 1 1.477 0.02 . 1 . . . . . 66 ALA HB . 27453 1 793 . 1 1 66 66 ALA HB2 H 1 1.477 0.02 . 1 . . . . . 66 ALA HB . 27453 1 794 . 1 1 66 66 ALA HB3 H 1 1.477 0.02 . 1 . . . . . 66 ALA HB . 27453 1 795 . 1 1 66 66 ALA C C 13 179.14 0.3 . 1 . . . . . 66 ALA C . 27453 1 796 . 1 1 66 66 ALA CA C 13 55.368 0.3 . 1 . . . . . 66 ALA CA . 27453 1 797 . 1 1 66 66 ALA CB C 13 19.255 0.3 . 1 . . . . . 66 ALA CB . 27453 1 798 . 1 1 66 66 ALA N N 15 123.234 0.3 . 1 . . . . . 66 ALA N . 27453 1 799 . 1 1 67 67 LEU H H 1 8.312 0.02 . 1 . . . . . 67 LEU H . 27453 1 800 . 1 1 67 67 LEU HA H 1 4.043 0.02 . 1 . . . . . 67 LEU HA . 27453 1 801 . 1 1 67 67 LEU HB2 H 1 1.895 0.02 . 2 . . . . . 67 LEU HB2 . 27453 1 802 . 1 1 67 67 LEU HB3 H 1 1.457 0.02 . 2 . . . . . 67 LEU HB3 . 27453 1 803 . 1 1 67 67 LEU HG H 1 1.639 0.02 . 1 . . . . . 67 LEU HG . 27453 1 804 . 1 1 67 67 LEU HD11 H 1 1.011 0.02 . 2 . . . . . 67 LEU HD1 . 27453 1 805 . 1 1 67 67 LEU HD12 H 1 1.011 0.02 . 2 . . . . . 67 LEU HD1 . 27453 1 806 . 1 1 67 67 LEU HD13 H 1 1.011 0.02 . 2 . . . . . 67 LEU HD1 . 27453 1 807 . 1 1 67 67 LEU HD21 H 1 0.973 0.02 . 2 . . . . . 67 LEU HD2 . 27453 1 808 . 1 1 67 67 LEU HD22 H 1 0.973 0.02 . 2 . . . . . 67 LEU HD2 . 27453 1 809 . 1 1 67 67 LEU HD23 H 1 0.973 0.02 . 2 . . . . . 67 LEU HD2 . 27453 1 810 . 1 1 67 67 LEU C C 13 180.127 0.3 . 1 . . . . . 67 LEU C . 27453 1 811 . 1 1 67 67 LEU CA C 13 57.656 0.3 . 1 . . . . . 67 LEU CA . 27453 1 812 . 1 1 67 67 LEU CB C 13 41.436 0.3 . 1 . . . . . 67 LEU CB . 27453 1 813 . 1 1 67 67 LEU CG C 13 27 0.3 . 1 . . . . . 67 LEU CG . 27453 1 814 . 1 1 67 67 LEU CD1 C 13 26.411 0.3 . 1 . . . . . 67 LEU CD1 . 27453 1 815 . 1 1 67 67 LEU CD2 C 13 23.47 0.3 . 1 . . . . . 67 LEU CD2 . 27453 1 816 . 1 1 67 67 LEU N N 15 118.562 0.3 . 1 . . . . . 67 LEU N . 27453 1 817 . 1 1 68 68 SER H H 1 8.36 0.02 . 1 . . . . . 68 SER H . 27453 1 818 . 1 1 68 68 SER HA H 1 4.141 0.02 . 1 . . . . . 68 SER HA . 27453 1 819 . 1 1 68 68 SER HB2 H 1 3.96 0.02 . 1 . . . . . 68 SER HB2 . 27453 1 820 . 1 1 68 68 SER HB3 H 1 3.96 0.02 . 1 . . . . . 68 SER HB3 . 27453 1 821 . 1 1 68 68 SER C C 13 176.916 0.3 . 1 . . . . . 68 SER C . 27453 1 822 . 1 1 68 68 SER CA C 13 61.844 0.3 . 1 . . . . . 68 SER CA . 27453 1 823 . 1 1 68 68 SER N N 15 117.151 0.3 . 1 . . . . . 68 SER N . 27453 1 824 . 1 1 69 69 TYR H H 1 8.085 0.02 . 1 . . . . . 69 TYR H . 27453 1 825 . 1 1 69 69 TYR HA H 1 4.214 0.02 . 1 . . . . . 69 TYR HA . 27453 1 826 . 1 1 69 69 TYR HB2 H 1 3.181 0.02 . 1 . . . . . 69 TYR HB2 . 27453 1 827 . 1 1 69 69 TYR HB3 H 1 3.181 0.02 . 1 . . . . . 69 TYR HB3 . 27453 1 828 . 1 1 69 69 TYR HD1 H 1 7.099 0.02 . 1 . . . . . 69 TYR HD1 . 27453 1 829 . 1 1 69 69 TYR HD2 H 1 7.099 0.02 . 1 . . . . . 69 TYR HD2 . 27453 1 830 . 1 1 69 69 TYR HE1 H 1 6.866 0.02 . 1 . . . . . 69 TYR HE1 . 27453 1 831 . 1 1 69 69 TYR HE2 H 1 6.866 0.02 . 1 . . . . . 69 TYR HE2 . 27453 1 832 . 1 1 69 69 TYR C C 13 178.829 0.3 . 1 . . . . . 69 TYR C . 27453 1 833 . 1 1 69 69 TYR CA C 13 61.512 0.3 . 1 . . . . . 69 TYR CA . 27453 1 834 . 1 1 69 69 TYR CB C 13 38.328 0.3 . 1 . . . . . 69 TYR CB . 27453 1 835 . 1 1 69 69 TYR CD1 C 13 129.219 0.3 . 1 . . . . . 69 TYR CD1 . 27453 1 836 . 1 1 69 69 TYR CD2 C 13 129.219 0.3 . 1 . . . . . 69 TYR CD2 . 27453 1 837 . 1 1 69 69 TYR CE1 C 13 114.512 0.3 . 1 . . . . . 69 TYR CE1 . 27453 1 838 . 1 1 69 69 TYR CE2 C 13 114.512 0.3 . 1 . . . . . 69 TYR CE2 . 27453 1 839 . 1 1 69 69 TYR N N 15 122.855 0.3 . 1 . . . . . 69 TYR N . 27453 1 840 . 1 1 70 70 TYR H H 1 8.957 0.02 . 1 . . . . . 70 TYR H . 27453 1 841 . 1 1 70 70 TYR HA H 1 4.034 0.02 . 1 . . . . . 70 TYR HA . 27453 1 842 . 1 1 70 70 TYR HB2 H 1 3.18 0.02 . 1 . . . . . 70 TYR HB2 . 27453 1 843 . 1 1 70 70 TYR HB3 H 1 3.18 0.02 . 1 . . . . . 70 TYR HB3 . 27453 1 844 . 1 1 70 70 TYR HD1 H 1 7.121 0.02 . 1 . . . . . 70 TYR HD1 . 27453 1 845 . 1 1 70 70 TYR HD2 H 1 7.121 0.02 . 1 . . . . . 70 TYR HD2 . 27453 1 846 . 1 1 70 70 TYR HE1 H 1 6.864 0.02 . 1 . . . . . 70 TYR HE1 . 27453 1 847 . 1 1 70 70 TYR HE2 H 1 6.864 0.02 . 1 . . . . . 70 TYR HE2 . 27453 1 848 . 1 1 70 70 TYR C C 13 177.656 0.3 . 1 . . . . . 70 TYR C . 27453 1 849 . 1 1 70 70 TYR CA C 13 62.003 0.3 . 1 . . . . . 70 TYR CA . 27453 1 850 . 1 1 70 70 TYR CB C 13 39.342 0.3 . 1 . . . . . 70 TYR CB . 27453 1 851 . 1 1 70 70 TYR CD1 C 13 129.354 0.3 . 1 . . . . . 70 TYR CD1 . 27453 1 852 . 1 1 70 70 TYR CD2 C 13 129.354 0.3 . 1 . . . . . 70 TYR CD2 . 27453 1 853 . 1 1 70 70 TYR CE1 C 13 114.732 0.3 . 1 . . . . . 70 TYR CE1 . 27453 1 854 . 1 1 70 70 TYR CE2 C 13 114.732 0.3 . 1 . . . . . 70 TYR CE2 . 27453 1 855 . 1 1 70 70 TYR N N 15 121.853 0.3 . 1 . . . . . 70 TYR N . 27453 1 856 . 1 1 71 71 SER H H 1 7.882 0.02 . 1 . . . . . 71 SER H . 27453 1 857 . 1 1 71 71 SER HA H 1 3.736 0.02 . 1 . . . . . 71 SER HA . 27453 1 858 . 1 1 71 71 SER HB2 H 1 3.858 0.02 . 1 . . . . . 71 SER HB2 . 27453 1 859 . 1 1 71 71 SER HB3 H 1 3.858 0.02 . 1 . . . . . 71 SER HB3 . 27453 1 860 . 1 1 71 71 SER C C 13 172.533 0.3 . 1 . . . . . 71 SER C . 27453 1 861 . 1 1 71 71 SER CA C 13 58.692 0.3 . 1 . . . . . 71 SER CA . 27453 1 862 . 1 1 71 71 SER CB C 13 62.783 0.3 . 1 . . . . . 71 SER CB . 27453 1 863 . 1 1 71 71 SER N N 15 109.216 0.3 . 1 . . . . . 71 SER N . 27453 1 864 . 1 1 72 72 ALA H H 1 7.295 0.02 . 1 . . . . . 72 ALA H . 27453 1 865 . 1 1 72 72 ALA HA H 1 4.624 0.02 . 1 . . . . . 72 ALA HA . 27453 1 866 . 1 1 72 72 ALA HB1 H 1 1.406 0.02 . 1 . . . . . 72 ALA HB . 27453 1 867 . 1 1 72 72 ALA HB2 H 1 1.406 0.02 . 1 . . . . . 72 ALA HB . 27453 1 868 . 1 1 72 72 ALA HB3 H 1 1.406 0.02 . 1 . . . . . 72 ALA HB . 27453 1 869 . 1 1 72 72 ALA C C 13 177.077 0.3 . 1 . . . . . 72 ALA C . 27453 1 870 . 1 1 72 72 ALA CA C 13 50.572 0.3 . 1 . . . . . 72 ALA CA . 27453 1 871 . 1 1 72 72 ALA CB C 13 19.69 0.3 . 1 . . . . . 72 ALA CB . 27453 1 872 . 1 1 72 72 ALA N N 15 121.609 0.3 . 1 . . . . . 72 ALA N . 27453 1 873 . 1 1 73 73 SER H H 1 7.208 0.02 . 1 . . . . . 73 SER H . 27453 1 874 . 1 1 73 73 SER HA H 1 4.426 0.02 . 1 . . . . . 73 SER HA . 27453 1 875 . 1 1 73 73 SER HB2 H 1 4.262 0.02 . 1 . . . . . 73 SER HB2 . 27453 1 876 . 1 1 73 73 SER HB3 H 1 4.262 0.02 . 1 . . . . . 73 SER HB3 . 27453 1 877 . 1 1 73 73 SER C C 13 171.828 0.3 . 1 . . . . . 73 SER C . 27453 1 878 . 1 1 73 73 SER CA C 13 56.9 0.3 . 1 . . . . . 73 SER CA . 27453 1 879 . 1 1 73 73 SER CB C 13 62.756 0.3 . 1 . . . . . 73 SER CB . 27453 1 880 . 1 1 73 73 SER N N 15 118.16 0.3 . 1 . . . . . 73 SER N . 27453 1 881 . 1 1 74 74 PRO HA H 1 3.953 0.02 . 1 . . . . . 74 PRO HA . 27453 1 882 . 1 1 74 74 PRO HB2 H 1 1.848 0.02 . 2 . . . . . 74 PRO HB2 . 27453 1 883 . 1 1 74 74 PRO HB3 H 1 1.516 0.02 . 2 . . . . . 74 PRO HB3 . 27453 1 884 . 1 1 74 74 PRO HG2 H 1 0.724 0.02 . 1 . . . . . 74 PRO HG2 . 27453 1 885 . 1 1 74 74 PRO HG3 H 1 0.724 0.02 . 1 . . . . . 74 PRO HG3 . 27453 1 886 . 1 1 74 74 PRO HD2 H 1 3.794 0.02 . 2 . . . . . 74 PRO HD2 . 27453 1 887 . 1 1 74 74 PRO HD3 H 1 3.478 0.02 . 2 . . . . . 74 PRO HD3 . 27453 1 888 . 1 1 74 74 PRO C C 13 179.588 0.3 . 1 . . . . . 74 PRO C . 27453 1 889 . 1 1 74 74 PRO CA C 13 65.749 0.3 . 1 . . . . . 74 PRO CA . 27453 1 890 . 1 1 74 74 PRO CB C 13 30.996 0.3 . 1 . . . . . 74 PRO CB . 27453 1 891 . 1 1 74 74 PRO CG C 13 26.655 0.3 . 1 . . . . . 74 PRO CG . 27453 1 892 . 1 1 74 74 PRO CD C 13 49.318 0.3 . 1 . . . . . 74 PRO CD . 27453 1 893 . 1 1 75 75 ALA H H 1 7.945 0.02 . 1 . . . . . 75 ALA H . 27453 1 894 . 1 1 75 75 ALA HA H 1 3.946 0.02 . 1 . . . . . 75 ALA HA . 27453 1 895 . 1 1 75 75 ALA HB1 H 1 1.41 0.02 . 1 . . . . . 75 ALA HB . 27453 1 896 . 1 1 75 75 ALA HB2 H 1 1.41 0.02 . 1 . . . . . 75 ALA HB . 27453 1 897 . 1 1 75 75 ALA HB3 H 1 1.41 0.02 . 1 . . . . . 75 ALA HB . 27453 1 898 . 1 1 75 75 ALA C C 13 179.721 0.3 . 1 . . . . . 75 ALA C . 27453 1 899 . 1 1 75 75 ALA CA C 13 54.709 0.3 . 1 . . . . . 75 ALA CA . 27453 1 900 . 1 1 75 75 ALA CB C 13 19.319 0.3 . 1 . . . . . 75 ALA CB . 27453 1 901 . 1 1 75 75 ALA N N 15 118.563 0.3 . 1 . . . . . 75 ALA N . 27453 1 902 . 1 1 76 76 TYR H H 1 8.181 0.02 . 1 . . . . . 76 TYR H . 27453 1 903 . 1 1 76 76 TYR HA H 1 4.021 0.02 . 1 . . . . . 76 TYR HA . 27453 1 904 . 1 1 76 76 TYR HB2 H 1 2.857 0.02 . 2 . . . . . 76 TYR HB2 . 27453 1 905 . 1 1 76 76 TYR HB3 H 1 2.76 0.02 . 2 . . . . . 76 TYR HB3 . 27453 1 906 . 1 1 76 76 TYR HD1 H 1 6.958 0.02 . 1 . . . . . 76 TYR HD1 . 27453 1 907 . 1 1 76 76 TYR HD2 H 1 6.958 0.02 . 1 . . . . . 76 TYR HD2 . 27453 1 908 . 1 1 76 76 TYR HE1 H 1 7.198 0.02 . 1 . . . . . 76 TYR HE1 . 27453 1 909 . 1 1 76 76 TYR HE2 H 1 7.198 0.02 . 1 . . . . . 76 TYR HE2 . 27453 1 910 . 1 1 76 76 TYR C C 13 179.474 0.3 . 1 . . . . . 76 TYR C . 27453 1 911 . 1 1 76 76 TYR CA C 13 61.304 0.3 . 1 . . . . . 76 TYR CA . 27453 1 912 . 1 1 76 76 TYR CB C 13 38.847 0.3 . 1 . . . . . 76 TYR CB . 27453 1 913 . 1 1 76 76 TYR CD1 C 13 129.639 0.3 . 1 . . . . . 76 TYR CD1 . 27453 1 914 . 1 1 76 76 TYR CD2 C 13 129.639 0.3 . 1 . . . . . 76 TYR CD2 . 27453 1 915 . 1 1 76 76 TYR CE1 C 13 114.383 0.3 . 1 . . . . . 76 TYR CE1 . 27453 1 916 . 1 1 76 76 TYR CE2 C 13 114.383 0.3 . 1 . . . . . 76 TYR CE2 . 27453 1 917 . 1 1 76 76 TYR N N 15 120.195 0.3 . 1 . . . . . 76 TYR N . 27453 1 918 . 1 1 77 77 LEU H H 1 8.344 0.02 . 1 . . . . . 77 LEU H . 27453 1 919 . 1 1 77 77 LEU HA H 1 4.062 0.02 . 1 . . . . . 77 LEU HA . 27453 1 920 . 1 1 77 77 LEU HB2 H 1 2.059 0.02 . 2 . . . . . 77 LEU HB2 . 27453 1 921 . 1 1 77 77 LEU HB3 H 1 1.737 0.02 . 2 . . . . . 77 LEU HB3 . 27453 1 922 . 1 1 77 77 LEU HG H 1 2.096 0.02 . 1 . . . . . 77 LEU HG . 27453 1 923 . 1 1 77 77 LEU HD11 H 1 1.011 0.02 . 2 . . . . . 77 LEU HD1 . 27453 1 924 . 1 1 77 77 LEU HD12 H 1 1.011 0.02 . 2 . . . . . 77 LEU HD1 . 27453 1 925 . 1 1 77 77 LEU HD13 H 1 1.011 0.02 . 2 . . . . . 77 LEU HD1 . 27453 1 926 . 1 1 77 77 LEU HD21 H 1 1.12 0.02 . 2 . . . . . 77 LEU HD2 . 27453 1 927 . 1 1 77 77 LEU HD22 H 1 1.12 0.02 . 2 . . . . . 77 LEU HD2 . 27453 1 928 . 1 1 77 77 LEU HD23 H 1 1.12 0.02 . 2 . . . . . 77 LEU HD2 . 27453 1 929 . 1 1 77 77 LEU C C 13 179.408 0.3 . 1 . . . . . 77 LEU C . 27453 1 930 . 1 1 77 77 LEU CA C 13 58 0.3 . 1 . . . . . 77 LEU CA . 27453 1 931 . 1 1 77 77 LEU CB C 13 42.285 0.3 . 1 . . . . . 77 LEU CB . 27453 1 932 . 1 1 77 77 LEU CG C 13 26.704 0.3 . 1 . . . . . 77 LEU CG . 27453 1 933 . 1 1 77 77 LEU CD1 C 13 25.964 0.3 . 1 . . . . . 77 LEU CD1 . 27453 1 934 . 1 1 77 77 LEU CD2 C 13 22.289 0.3 . 1 . . . . . 77 LEU CD2 . 27453 1 935 . 1 1 77 77 LEU N N 15 117.751 0.3 . 1 . . . . . 77 LEU N . 27453 1 936 . 1 1 78 78 SER H H 1 7.946 0.02 . 1 . . . . . 78 SER H . 27453 1 937 . 1 1 78 78 SER HA H 1 3.972 0.02 . 1 . . . . . 78 SER HA . 27453 1 938 . 1 1 78 78 SER HB2 H 1 3.69 0.02 . 2 . . . . . 78 SER HB2 . 27453 1 939 . 1 1 78 78 SER HB3 H 1 3.504 0.02 . 2 . . . . . 78 SER HB3 . 27453 1 940 . 1 1 78 78 SER C C 13 175.215 0.3 . 1 . . . . . 78 SER C . 27453 1 941 . 1 1 78 78 SER CA C 13 60.639 0.3 . 1 . . . . . 78 SER CA . 27453 1 942 . 1 1 78 78 SER CB C 13 63.046 0.3 . 1 . . . . . 78 SER CB . 27453 1 943 . 1 1 78 78 SER N N 15 111.042 0.3 . 1 . . . . . 78 SER N . 27453 1 944 . 1 1 79 79 CYS H H 1 7.315 0.02 . 1 . . . . . 79 CYS H . 27453 1 945 . 1 1 79 79 CYS HA H 1 4.616 0.02 . 1 . . . . . 79 CYS HA . 27453 1 946 . 1 1 79 79 CYS HB2 H 1 2.949 0.02 . 2 . . . . . 79 CYS HB2 . 27453 1 947 . 1 1 79 79 CYS HB3 H 1 2.771 0.02 . 2 . . . . . 79 CYS HB3 . 27453 1 948 . 1 1 79 79 CYS C C 13 175.57 0.3 . 1 . . . . . 79 CYS C . 27453 1 949 . 1 1 79 79 CYS CA C 13 58.636 0.3 . 1 . . . . . 79 CYS CA . 27453 1 950 . 1 1 79 79 CYS CB C 13 26.772 0.3 . 1 . . . . . 79 CYS CB . 27453 1 951 . 1 1 79 79 CYS N N 15 115.313 0.3 . 1 . . . . . 79 CYS N . 27453 1 952 . 1 1 80 80 GLN H H 1 6.699 0.02 . 1 . . . . . 80 GLN H . 27453 1 953 . 1 1 80 80 GLN HA H 1 4.019 0.02 . 1 . . . . . 80 GLN HA . 27453 1 954 . 1 1 80 80 GLN HB2 H 1 1.968 0.02 . 2 . . . . . 80 GLN HB2 . 27453 1 955 . 1 1 80 80 GLN HB3 H 1 1.877 0.02 . 2 . . . . . 80 GLN HB3 . 27453 1 956 . 1 1 80 80 GLN HG2 H 1 2.362 0.02 . 1 . . . . . 80 GLN HG2 . 27453 1 957 . 1 1 80 80 GLN HG3 H 1 2.362 0.02 . 1 . . . . . 80 GLN HG3 . 27453 1 958 . 1 1 80 80 GLN C C 13 173.34 0.3 . 1 . . . . . 80 GLN C . 27453 1 959 . 1 1 80 80 GLN CA C 13 55.279 0.3 . 1 . . . . . 80 GLN CA . 27453 1 960 . 1 1 80 80 GLN CB C 13 28.429 0.3 . 1 . . . . . 80 GLN CB . 27453 1 961 . 1 1 80 80 GLN CG C 13 35.816 0.3 . 1 . . . . . 80 GLN CG . 27453 1 962 . 1 1 80 80 GLN N N 15 122.947 0.3 . 1 . . . . . 80 GLN N . 27453 1 963 . 1 1 81 81 LYS H H 1 7.288 0.02 . 1 . . . . . 81 LYS H . 27453 1 964 . 1 1 81 81 LYS HA H 1 4.582 0.02 . 1 . . . . . 81 LYS HA . 27453 1 965 . 1 1 81 81 LYS HB2 H 1 1.823 0.02 . 1 . . . . . 81 LYS HB2 . 27453 1 966 . 1 1 81 81 LYS HB3 H 1 1.823 0.02 . 1 . . . . . 81 LYS HB3 . 27453 1 967 . 1 1 81 81 LYS HG2 H 1 1.407 0.02 . 1 . . . . . 81 LYS HG2 . 27453 1 968 . 1 1 81 81 LYS HG3 H 1 1.407 0.02 . 1 . . . . . 81 LYS HG3 . 27453 1 969 . 1 1 81 81 LYS HD2 H 1 1.605 0.02 . 1 . . . . . 81 LYS HD2 . 27453 1 970 . 1 1 81 81 LYS HD3 H 1 1.605 0.02 . 1 . . . . . 81 LYS HD3 . 27453 1 971 . 1 1 81 81 LYS HE2 H 1 2.956 0.02 . 1 . . . . . 81 LYS HE2 . 27453 1 972 . 1 1 81 81 LYS HE3 H 1 2.956 0.02 . 1 . . . . . 81 LYS HE3 . 27453 1 973 . 1 1 81 81 LYS C C 13 174.941 0.3 . 1 . . . . . 81 LYS C . 27453 1 974 . 1 1 81 81 LYS CA C 13 53.34 0.3 . 1 . . . . . 81 LYS CA . 27453 1 975 . 1 1 81 81 LYS CB C 13 31.819 0.3 . 1 . . . . . 81 LYS CB . 27453 1 976 . 1 1 81 81 LYS CG C 13 25.079 0.3 . 1 . . . . . 81 LYS CG . 27453 1 977 . 1 1 81 81 LYS CD C 13 28.866 0.3 . 1 . . . . . 81 LYS CD . 27453 1 978 . 1 1 81 81 LYS CE C 13 42.186 0.3 . 1 . . . . . 81 LYS CE . 27453 1 979 . 1 1 81 81 LYS N N 15 124.455 0.3 . 1 . . . . . 81 LYS N . 27453 1 980 . 1 1 82 82 PRO HA H 1 3.803 0.02 . 1 . . . . . 82 PRO HA . 27453 1 981 . 1 1 82 82 PRO HB2 H 1 1.968 0.02 . 2 . . . . . 82 PRO HB2 . 27453 1 982 . 1 1 82 82 PRO HB3 H 1 1.912 0.02 . 2 . . . . . 82 PRO HB3 . 27453 1 983 . 1 1 82 82 PRO HG2 H 1 2.175 0.02 . 2 . . . . . 82 PRO HG2 . 27453 1 984 . 1 1 82 82 PRO HG3 H 1 1.776 0.02 . 2 . . . . . 82 PRO HG3 . 27453 1 985 . 1 1 82 82 PRO HD2 H 1 3.682 0.02 . 2 . . . . . 82 PRO HD2 . 27453 1 986 . 1 1 82 82 PRO HD3 H 1 3.55 0.02 . 2 . . . . . 82 PRO HD3 . 27453 1 987 . 1 1 82 82 PRO C C 13 176.295 0.3 . 1 . . . . . 82 PRO C . 27453 1 988 . 1 1 82 82 PRO CA C 13 64.149 0.3 . 1 . . . . . 82 PRO CA . 27453 1 989 . 1 1 82 82 PRO CB C 13 31.435 0.3 . 1 . . . . . 82 PRO CB . 27453 1 990 . 1 1 82 82 PRO CG C 13 28.02 0.3 . 1 . . . . . 82 PRO CG . 27453 1 991 . 1 1 82 82 PRO CD C 13 50.146 0.3 . 1 . . . . . 82 PRO CD . 27453 1 992 . 1 1 83 83 ASP H H 1 8.852 0.02 . 1 . . . . . 83 ASP H . 27453 1 993 . 1 1 83 83 ASP HA H 1 4.142 0.02 . 1 . . . . . 83 ASP HA . 27453 1 994 . 1 1 83 83 ASP HB2 H 1 3.026 0.02 . 2 . . . . . 83 ASP HB2 . 27453 1 995 . 1 1 83 83 ASP HB3 H 1 2.883 0.02 . 2 . . . . . 83 ASP HB3 . 27453 1 996 . 1 1 83 83 ASP C C 13 175.191 0.3 . 1 . . . . . 83 ASP C . 27453 1 997 . 1 1 83 83 ASP CA C 13 56.954 0.3 . 1 . . . . . 83 ASP CA . 27453 1 998 . 1 1 83 83 ASP CB C 13 39.327 0.3 . 1 . . . . . 83 ASP CB . 27453 1 999 . 1 1 83 83 ASP N N 15 115.912 0.3 . 1 . . . . . 83 ASP N . 27453 1 1000 . 1 1 84 84 THR H H 1 7.628 0.02 . 1 . . . . . 84 THR H . 27453 1 1001 . 1 1 84 84 THR HA H 1 4.161 0.02 . 1 . . . . . 84 THR HA . 27453 1 1002 . 1 1 84 84 THR HB H 1 3.983 0.02 . 1 . . . . . 84 THR HB . 27453 1 1003 . 1 1 84 84 THR HG21 H 1 1.401 0.02 . 1 . . . . . 84 THR HG2 . 27453 1 1004 . 1 1 84 84 THR HG22 H 1 1.401 0.02 . 1 . . . . . 84 THR HG2 . 27453 1 1005 . 1 1 84 84 THR HG23 H 1 1.401 0.02 . 1 . . . . . 84 THR HG2 . 27453 1 1006 . 1 1 84 84 THR C C 13 173.515 0.3 . 1 . . . . . 84 THR C . 27453 1 1007 . 1 1 84 84 THR CA C 13 63.723 0.3 . 1 . . . . . 84 THR CA . 27453 1 1008 . 1 1 84 84 THR CB C 13 69.383 0.3 . 1 . . . . . 84 THR CB . 27453 1 1009 . 1 1 84 84 THR CG2 C 13 22.138 0.3 . 1 . . . . . 84 THR CG2 . 27453 1 1010 . 1 1 84 84 THR N N 15 116.125 0.3 . 1 . . . . . 84 THR N . 27453 1 1011 . 1 1 85 85 ALA H H 1 8.83 0.02 . 1 . . . . . 85 ALA H . 27453 1 1012 . 1 1 85 85 ALA HA H 1 4.583 0.02 . 1 . . . . . 85 ALA HA . 27453 1 1013 . 1 1 85 85 ALA HB1 H 1 1.332 0.02 . 1 . . . . . 85 ALA HB . 27453 1 1014 . 1 1 85 85 ALA HB2 H 1 1.332 0.02 . 1 . . . . . 85 ALA HB . 27453 1 1015 . 1 1 85 85 ALA HB3 H 1 1.332 0.02 . 1 . . . . . 85 ALA HB . 27453 1 1016 . 1 1 85 85 ALA C C 13 177.375 0.3 . 1 . . . . . 85 ALA C . 27453 1 1017 . 1 1 85 85 ALA CA C 13 53.203 0.3 . 1 . . . . . 85 ALA CA . 27453 1 1018 . 1 1 85 85 ALA CB C 13 18.857 0.3 . 1 . . . . . 85 ALA CB . 27453 1 1019 . 1 1 85 85 ALA N N 15 128.203 0.3 . 1 . . . . . 85 ALA N . 27453 1 1020 . 1 1 86 86 ARG H H 1 8.076 0.02 . 1 . . . . . 86 ARG H . 27453 1 1021 . 1 1 86 86 ARG HA H 1 4.621 0.02 . 1 . . . . . 86 ARG HA . 27453 1 1022 . 1 1 86 86 ARG HB2 H 1 1.11 0.02 . 1 . . . . . 86 ARG HB2 . 27453 1 1023 . 1 1 86 86 ARG HB3 H 1 1.11 0.02 . 1 . . . . . 86 ARG HB3 . 27453 1 1024 . 1 1 86 86 ARG HG2 H 1 1.247 0.02 . 1 . . . . . 86 ARG HG2 . 27453 1 1025 . 1 1 86 86 ARG HG3 H 1 1.247 0.02 . 1 . . . . . 86 ARG HG3 . 27453 1 1026 . 1 1 86 86 ARG HD2 H 1 2.989 0.02 . 1 . . . . . 86 ARG HD2 . 27453 1 1027 . 1 1 86 86 ARG HD3 H 1 2.989 0.02 . 1 . . . . . 86 ARG HD3 . 27453 1 1028 . 1 1 86 86 ARG C C 13 176.958 0.3 . 1 . . . . . 86 ARG C . 27453 1 1029 . 1 1 86 86 ARG CA C 13 53.937 0.3 . 1 . . . . . 86 ARG CA . 27453 1 1030 . 1 1 86 86 ARG CB C 13 32.252 0.3 . 1 . . . . . 86 ARG CB . 27453 1 1031 . 1 1 86 86 ARG CG C 13 28.805 0.3 . 1 . . . . . 86 ARG CG . 27453 1 1032 . 1 1 86 86 ARG CD C 13 43.383 0.3 . 1 . . . . . 86 ARG CD . 27453 1 1033 . 1 1 86 86 ARG N N 15 117.341 0.3 . 1 . . . . . 86 ARG N . 27453 1 1034 . 1 1 87 87 VAL H H 1 8.514 0.02 . 1 . . . . . 87 VAL H . 27453 1 1035 . 1 1 87 87 VAL HA H 1 5.699 0.02 . 1 . . . . . 87 VAL HA . 27453 1 1036 . 1 1 87 87 VAL HB H 1 1.979 0.02 . 1 . . . . . 87 VAL HB . 27453 1 1037 . 1 1 87 87 VAL HG11 H 1 0.801 0.02 . 2 . . . . . 87 VAL HG1 . 27453 1 1038 . 1 1 87 87 VAL HG12 H 1 0.801 0.02 . 2 . . . . . 87 VAL HG1 . 27453 1 1039 . 1 1 87 87 VAL HG13 H 1 0.801 0.02 . 2 . . . . . 87 VAL HG1 . 27453 1 1040 . 1 1 87 87 VAL HG21 H 1 1.042 0.02 . 2 . . . . . 87 VAL HG2 . 27453 1 1041 . 1 1 87 87 VAL HG22 H 1 1.042 0.02 . 2 . . . . . 87 VAL HG2 . 27453 1 1042 . 1 1 87 87 VAL HG23 H 1 1.042 0.02 . 2 . . . . . 87 VAL HG2 . 27453 1 1043 . 1 1 87 87 VAL C C 13 175.948 0.3 . 1 . . . . . 87 VAL C . 27453 1 1044 . 1 1 87 87 VAL CA C 13 58.2 0.3 . 1 . . . . . 87 VAL CA . 27453 1 1045 . 1 1 87 87 VAL CB C 13 35.272 0.3 . 1 . . . . . 87 VAL CB . 27453 1 1046 . 1 1 87 87 VAL CG1 C 13 22.118 0.3 . 1 . . . . . 87 VAL CG1 . 27453 1 1047 . 1 1 87 87 VAL CG2 C 13 17.677 0.3 . 1 . . . . . 87 VAL CG2 . 27453 1 1048 . 1 1 87 87 VAL N N 15 112.872 0.3 . 1 . . . . . 87 VAL N . 27453 1 1049 . 1 1 88 88 ASP H H 1 8.295 0.02 . 1 . . . . . 88 ASP H . 27453 1 1050 . 1 1 88 88 ASP HA H 1 4.403 0.02 . 1 . . . . . 88 ASP HA . 27453 1 1051 . 1 1 88 88 ASP HB2 H 1 2.54 0.02 . 1 . . . . . 88 ASP HB2 . 27453 1 1052 . 1 1 88 88 ASP HB3 H 1 2.54 0.02 . 1 . . . . . 88 ASP HB3 . 27453 1 1053 . 1 1 88 88 ASP C C 13 177.28 0.3 . 1 . . . . . 88 ASP C . 27453 1 1054 . 1 1 88 88 ASP CA C 13 51.682 0.3 . 1 . . . . . 88 ASP CA . 27453 1 1055 . 1 1 88 88 ASP CB C 13 41.148 0.3 . 1 . . . . . 88 ASP CB . 27453 1 1056 . 1 1 88 88 ASP N N 15 120.931 0.3 . 1 . . . . . 88 ASP N . 27453 1 1057 . 1 1 89 89 ILE H H 1 7.787 0.02 . 1 . . . . . 89 ILE H . 27453 1 1058 . 1 1 89 89 ILE HA H 1 3.411 0.02 . 1 . . . . . 89 ILE HA . 27453 1 1059 . 1 1 89 89 ILE HB H 1 1.076 0.02 . 1 . . . . . 89 ILE HB . 27453 1 1060 . 1 1 89 89 ILE HG12 H 1 0.59 0.02 . 2 . . . . . 89 ILE HG12 . 27453 1 1061 . 1 1 89 89 ILE HG13 H 1 -0.287 0.02 . 2 . . . . . 89 ILE HG13 . 27453 1 1062 . 1 1 89 89 ILE HG21 H 1 0.454 0.02 . 1 . . . . . 89 ILE HG2 . 27453 1 1063 . 1 1 89 89 ILE HG22 H 1 0.454 0.02 . 1 . . . . . 89 ILE HG2 . 27453 1 1064 . 1 1 89 89 ILE HG23 H 1 0.454 0.02 . 1 . . . . . 89 ILE HG2 . 27453 1 1065 . 1 1 89 89 ILE HD11 H 1 0.103 0.02 . 1 . . . . . 89 ILE HD1 . 27453 1 1066 . 1 1 89 89 ILE HD12 H 1 0.103 0.02 . 1 . . . . . 89 ILE HD1 . 27453 1 1067 . 1 1 89 89 ILE HD13 H 1 0.103 0.02 . 1 . . . . . 89 ILE HD1 . 27453 1 1068 . 1 1 89 89 ILE C C 13 174.545 0.3 . 1 . . . . . 89 ILE C . 27453 1 1069 . 1 1 89 89 ILE CA C 13 65.292 0.3 . 1 . . . . . 89 ILE CA . 27453 1 1070 . 1 1 89 89 ILE CB C 13 35.758 0.3 . 1 . . . . . 89 ILE CB . 27453 1 1071 . 1 1 89 89 ILE CG1 C 13 22.898 0.3 . 1 . . . . . 89 ILE CG1 . 27453 1 1072 . 1 1 89 89 ILE CG2 C 13 17.941 0.3 . 1 . . . . . 89 ILE CG2 . 27453 1 1073 . 1 1 89 89 ILE CD1 C 13 12.669 0.3 . 1 . . . . . 89 ILE CD1 . 27453 1 1074 . 1 1 89 89 ILE N N 15 107.979 0.3 . 1 . . . . . 89 ILE N . 27453 1 1075 . 1 1 90 90 TYR H H 1 7.427 0.02 . 1 . . . . . 90 TYR H . 27453 1 1076 . 1 1 90 90 TYR HA H 1 4.69 0.02 . 1 . . . . . 90 TYR HA . 27453 1 1077 . 1 1 90 90 TYR HB2 H 1 3.449 0.02 . 2 . . . . . 90 TYR HB2 . 27453 1 1078 . 1 1 90 90 TYR HB3 H 1 2.747 0.02 . 2 . . . . . 90 TYR HB3 . 27453 1 1079 . 1 1 90 90 TYR HD1 H 1 7.198 0.02 . 1 . . . . . 90 TYR HD1 . 27453 1 1080 . 1 1 90 90 TYR HD2 H 1 7.198 0.02 . 1 . . . . . 90 TYR HD2 . 27453 1 1081 . 1 1 90 90 TYR HE1 H 1 6.939 0.02 . 1 . . . . . 90 TYR HE1 . 27453 1 1082 . 1 1 90 90 TYR HE2 H 1 6.939 0.02 . 1 . . . . . 90 TYR HE2 . 27453 1 1083 . 1 1 90 90 TYR C C 13 176.866 0.3 . 1 . . . . . 90 TYR C . 27453 1 1084 . 1 1 90 90 TYR CA C 13 57.618 0.3 . 1 . . . . . 90 TYR CA . 27453 1 1085 . 1 1 90 90 TYR CB C 13 38.468 0.3 . 1 . . . . . 90 TYR CB . 27453 1 1086 . 1 1 90 90 TYR CD1 C 13 129.237 0.3 . 1 . . . . . 90 TYR CD1 . 27453 1 1087 . 1 1 90 90 TYR CD2 C 13 129.237 0.3 . 1 . . . . . 90 TYR CD2 . 27453 1 1088 . 1 1 90 90 TYR CE1 C 13 114.521 0.3 . 1 . . . . . 90 TYR CE1 . 27453 1 1089 . 1 1 90 90 TYR CE2 C 13 114.521 0.3 . 1 . . . . . 90 TYR CE2 . 27453 1 1090 . 1 1 90 90 TYR N N 15 115.865 0.3 . 1 . . . . . 90 TYR N . 27453 1 1091 . 1 1 91 91 GLY H H 1 8.383 0.02 . 1 . . . . . 91 GLY H . 27453 1 1092 . 1 1 91 91 GLY HA2 H 1 4.218 0.02 . 2 . . . . . 91 GLY HA2 . 27453 1 1093 . 1 1 91 91 GLY HA3 H 1 3.355 0.02 . 2 . . . . . 91 GLY HA3 . 27453 1 1094 . 1 1 91 91 GLY C C 13 174.185 0.3 . 1 . . . . . 91 GLY C . 27453 1 1095 . 1 1 91 91 GLY CA C 13 45.442 0.3 . 1 . . . . . 91 GLY CA . 27453 1 1096 . 1 1 91 91 GLY N N 15 108.403 0.3 . 1 . . . . . 91 GLY N . 27453 1 1097 . 1 1 92 92 ASN H H 1 8.81 0.02 . 1 . . . . . 92 ASN H . 27453 1 1098 . 1 1 92 92 ASN HA H 1 4.569 0.02 . 1 . . . . . 92 ASN HA . 27453 1 1099 . 1 1 92 92 ASN HB2 H 1 2.848 0.02 . 2 . . . . . 92 ASN HB2 . 27453 1 1100 . 1 1 92 92 ASN HB3 H 1 2.51 0.02 . 2 . . . . . 92 ASN HB3 . 27453 1 1101 . 1 1 92 92 ASN HD21 H 1 8.977 0.02 . 2 . . . . . 92 ASN HD21 . 27453 1 1102 . 1 1 92 92 ASN HD22 H 1 7.352 0.02 . 2 . . . . . 92 ASN HD22 . 27453 1 1103 . 1 1 92 92 ASN C C 13 175.414 0.3 . 1 . . . . . 92 ASN C . 27453 1 1104 . 1 1 92 92 ASN CA C 13 53.346 0.3 . 1 . . . . . 92 ASN CA . 27453 1 1105 . 1 1 92 92 ASN CB C 13 38.262 0.3 . 1 . . . . . 92 ASN CB . 27453 1 1106 . 1 1 92 92 ASN N N 15 120.395 0.3 . 1 . . . . . 92 ASN N . 27453 1 1107 . 1 1 92 92 ASN ND2 N 15 120.108 0.3 . 1 . . . . . 92 ASN ND2 . 27453 1 1108 . 1 1 93 93 GLU H H 1 8.975 0.02 . 1 . . . . . 93 GLU H . 27453 1 1109 . 1 1 93 93 GLU HA H 1 4.409 0.02 . 1 . . . . . 93 GLU HA . 27453 1 1110 . 1 1 93 93 GLU HB2 H 1 2.112 0.02 . 2 . . . . . 93 GLU HB2 . 27453 1 1111 . 1 1 93 93 GLU HB3 H 1 1.918 0.02 . 2 . . . . . 93 GLU HB3 . 27453 1 1112 . 1 1 93 93 GLU HG2 H 1 2.51 0.02 . 1 . . . . . 93 GLU HG2 . 27453 1 1113 . 1 1 93 93 GLU HG3 H 1 2.51 0.02 . 1 . . . . . 93 GLU HG3 . 27453 1 1114 . 1 1 93 93 GLU C C 13 177.454 0.3 . 1 . . . . . 93 GLU C . 27453 1 1115 . 1 1 93 93 GLU CA C 13 56.85 0.3 . 1 . . . . . 93 GLU CA . 27453 1 1116 . 1 1 93 93 GLU CB C 13 28.353 0.3 . 1 . . . . . 93 GLU CB . 27453 1 1117 . 1 1 93 93 GLU CG C 13 36.373 0.3 . 1 . . . . . 93 GLU CG . 27453 1 1118 . 1 1 93 93 GLU N N 15 122.418 0.3 . 1 . . . . . 93 GLU N . 27453 1 1119 . 1 1 94 94 VAL H H 1 8.423 0.02 . 1 . . . . . 94 VAL H . 27453 1 1120 . 1 1 94 94 VAL HA H 1 4.647 0.02 . 1 . . . . . 94 VAL HA . 27453 1 1121 . 1 1 94 94 VAL HB H 1 2.43 0.02 . 1 . . . . . 94 VAL HB . 27453 1 1122 . 1 1 94 94 VAL HG11 H 1 0.906 0.02 . 2 . . . . . 94 VAL HG1 . 27453 1 1123 . 1 1 94 94 VAL HG12 H 1 0.906 0.02 . 2 . . . . . 94 VAL HG1 . 27453 1 1124 . 1 1 94 94 VAL HG13 H 1 0.906 0.02 . 2 . . . . . 94 VAL HG1 . 27453 1 1125 . 1 1 94 94 VAL HG21 H 1 0.718 0.02 . 2 . . . . . 94 VAL HG2 . 27453 1 1126 . 1 1 94 94 VAL HG22 H 1 0.718 0.02 . 2 . . . . . 94 VAL HG2 . 27453 1 1127 . 1 1 94 94 VAL HG23 H 1 0.718 0.02 . 2 . . . . . 94 VAL HG2 . 27453 1 1128 . 1 1 94 94 VAL C C 13 174.393 0.3 . 1 . . . . . 94 VAL C . 27453 1 1129 . 1 1 94 94 VAL CA C 13 60.892 0.3 . 1 . . . . . 94 VAL CA . 27453 1 1130 . 1 1 94 94 VAL CB C 13 33.942 0.3 . 1 . . . . . 94 VAL CB . 27453 1 1131 . 1 1 94 94 VAL CG1 C 13 21.712 0.3 . 1 . . . . . 94 VAL CG1 . 27453 1 1132 . 1 1 94 94 VAL CG2 C 13 17.822 0.3 . 1 . . . . . 94 VAL CG2 . 27453 1 1133 . 1 1 94 94 VAL N N 15 116.337 0.3 . 1 . . . . . 94 VAL N . 27453 1 1134 . 1 1 95 95 ASP H H 1 7.98 0.02 . 1 . . . . . 95 ASP H . 27453 1 1135 . 1 1 95 95 ASP HA H 1 4.929 0.02 . 1 . . . . . 95 ASP HA . 27453 1 1136 . 1 1 95 95 ASP HB2 H 1 3.108 0.02 . 2 . . . . . 95 ASP HB2 . 27453 1 1137 . 1 1 95 95 ASP HB3 H 1 2.432 0.02 . 2 . . . . . 95 ASP HB3 . 27453 1 1138 . 1 1 95 95 ASP C C 13 175.414 0.3 . 1 . . . . . 95 ASP C . 27453 1 1139 . 1 1 95 95 ASP CA C 13 52.652 0.3 . 1 . . . . . 95 ASP CA . 27453 1 1140 . 1 1 95 95 ASP CB C 13 43.372 0.3 . 1 . . . . . 95 ASP CB . 27453 1 1141 . 1 1 95 95 ASP N N 15 119.23 0.3 . 1 . . . . . 95 ASP N . 27453 1 1142 . 1 1 96 96 VAL H H 1 9.365 0.02 . 1 . . . . . 96 VAL H . 27453 1 1143 . 1 1 96 96 VAL HA H 1 5.144 0.02 . 1 . . . . . 96 VAL HA . 27453 1 1144 . 1 1 96 96 VAL HB H 1 1.85 0.02 . 1 . . . . . 96 VAL HB . 27453 1 1145 . 1 1 96 96 VAL HG11 H 1 0.831 0.02 . 2 . . . . . 96 VAL HG1 . 27453 1 1146 . 1 1 96 96 VAL HG12 H 1 0.831 0.02 . 2 . . . . . 96 VAL HG1 . 27453 1 1147 . 1 1 96 96 VAL HG13 H 1 0.831 0.02 . 2 . . . . . 96 VAL HG1 . 27453 1 1148 . 1 1 96 96 VAL HG21 H 1 0.798 0.02 . 2 . . . . . 96 VAL HG2 . 27453 1 1149 . 1 1 96 96 VAL HG22 H 1 0.798 0.02 . 2 . . . . . 96 VAL HG2 . 27453 1 1150 . 1 1 96 96 VAL HG23 H 1 0.798 0.02 . 2 . . . . . 96 VAL HG2 . 27453 1 1151 . 1 1 96 96 VAL C C 13 174.918 0.3 . 1 . . . . . 96 VAL C . 27453 1 1152 . 1 1 96 96 VAL CA C 13 60.074 0.3 . 1 . . . . . 96 VAL CA . 27453 1 1153 . 1 1 96 96 VAL CB C 13 36.813 0.3 . 1 . . . . . 96 VAL CB . 27453 1 1154 . 1 1 96 96 VAL CG1 C 13 21.05 0.3 . 1 . . . . . 96 VAL CG1 . 27453 1 1155 . 1 1 96 96 VAL CG2 C 13 18.888 0.3 . 1 . . . . . 96 VAL CG2 . 27453 1 1156 . 1 1 96 96 VAL N N 15 117.545 0.3 . 1 . . . . . 96 VAL N . 27453 1 1157 . 1 1 97 97 VAL H H 1 8.732 0.02 . 1 . . . . . 97 VAL H . 27453 1 1158 . 1 1 97 97 VAL HA H 1 4.339 0.02 . 1 . . . . . 97 VAL HA . 27453 1 1159 . 1 1 97 97 VAL HB H 1 2.315 0.02 . 1 . . . . . 97 VAL HB . 27453 1 1160 . 1 1 97 97 VAL HG11 H 1 0.81 0.02 . 2 . . . . . 97 VAL HG1 . 27453 1 1161 . 1 1 97 97 VAL HG12 H 1 0.81 0.02 . 2 . . . . . 97 VAL HG1 . 27453 1 1162 . 1 1 97 97 VAL HG13 H 1 0.81 0.02 . 2 . . . . . 97 VAL HG1 . 27453 1 1163 . 1 1 97 97 VAL HG21 H 1 0.75 0.02 . 2 . . . . . 97 VAL HG2 . 27453 1 1164 . 1 1 97 97 VAL HG22 H 1 0.75 0.02 . 2 . . . . . 97 VAL HG2 . 27453 1 1165 . 1 1 97 97 VAL HG23 H 1 0.75 0.02 . 2 . . . . . 97 VAL HG2 . 27453 1 1166 . 1 1 97 97 VAL C C 13 176.868 0.3 . 1 . . . . . 97 VAL C . 27453 1 1167 . 1 1 97 97 VAL CA C 13 61.97 0.3 . 1 . . . . . 97 VAL CA . 27453 1 1168 . 1 1 97 97 VAL CB C 13 31.277 0.3 . 1 . . . . . 97 VAL CB . 27453 1 1169 . 1 1 97 97 VAL CG1 C 13 22.678 0.3 . 1 . . . . . 97 VAL CG1 . 27453 1 1170 . 1 1 97 97 VAL CG2 C 13 21.962 0.3 . 1 . . . . . 97 VAL CG2 . 27453 1 1171 . 1 1 97 97 VAL N N 15 122.832 0.3 . 1 . . . . . 97 VAL N . 27453 1 1172 . 1 1 98 98 THR H H 1 8.28 0.02 . 1 . . . . . 98 THR H . 27453 1 1173 . 1 1 98 98 THR C C 13 178.887 0.3 . 1 . . . . . 98 THR C . 27453 1 1174 . 1 1 98 98 THR CA C 13 60.782 0.3 . 1 . . . . . 98 THR CA . 27453 1 1175 . 1 1 98 98 THR CB C 13 68.029 0.3 . 1 . . . . . 98 THR CB . 27453 1 1176 . 1 1 98 98 THR N N 15 122.121 0.3 . 1 . . . . . 98 THR N . 27453 1 1177 . 1 1 99 99 PRO HA H 1 4.116 0.02 . 1 . . . . . 99 PRO HA . 27453 1 1178 . 1 1 99 99 PRO HB2 H 1 2.44 0.02 . 1 . . . . . 99 PRO HB2 . 27453 1 1179 . 1 1 99 99 PRO HB3 H 1 2.44 0.02 . 1 . . . . . 99 PRO HB3 . 27453 1 1180 . 1 1 99 99 PRO HG2 H 1 2.309 0.02 . 2 . . . . . 99 PRO HG2 . 27453 1 1181 . 1 1 99 99 PRO HG3 H 1 2.011 0.02 . 2 . . . . . 99 PRO HG3 . 27453 1 1182 . 1 1 99 99 PRO HD2 H 1 3.976 0.02 . 1 . . . . . 99 PRO HD2 . 27453 1 1183 . 1 1 99 99 PRO HD3 H 1 3.976 0.02 . 1 . . . . . 99 PRO HD3 . 27453 1 1184 . 1 1 99 99 PRO C C 13 179.383 0.3 . 1 . . . . . 99 PRO C . 27453 1 1185 . 1 1 99 99 PRO CA C 13 66.292 0.3 . 1 . . . . . 99 PRO CA . 27453 1 1186 . 1 1 99 99 PRO CB C 13 31.69 0.3 . 1 . . . . . 99 PRO CB . 27453 1 1187 . 1 1 99 99 PRO CG C 13 28.524 0.3 . 1 . . . . . 99 PRO CG . 27453 1 1188 . 1 1 99 99 PRO CD C 13 50.276 0.3 . 1 . . . . . 99 PRO CD . 27453 1 1189 . 1 1 100 100 GLU H H 1 8.76 0.02 . 1 . . . . . 100 GLU H . 27453 1 1190 . 1 1 100 100 GLU HA H 1 4.013 0.02 . 1 . . . . . 100 GLU HA . 27453 1 1191 . 1 1 100 100 GLU HB2 H 1 2.107 0.02 . 2 . . . . . 100 GLU HB2 . 27453 1 1192 . 1 1 100 100 GLU HB3 H 1 1.973 0.02 . 2 . . . . . 100 GLU HB3 . 27453 1 1193 . 1 1 100 100 GLU HG2 H 1 2.399 0.02 . 2 . . . . . 100 GLU HG2 . 27453 1 1194 . 1 1 100 100 GLU HG3 H 1 2.298 0.02 . 2 . . . . . 100 GLU HG3 . 27453 1 1195 . 1 1 100 100 GLU C C 13 179.353 0.3 . 1 . . . . . 100 GLU C . 27453 1 1196 . 1 1 100 100 GLU CA C 13 60.248 0.3 . 1 . . . . . 100 GLU CA . 27453 1 1197 . 1 1 100 100 GLU CB C 13 29.305 0.3 . 1 . . . . . 100 GLU CB . 27453 1 1198 . 1 1 100 100 GLU CG C 13 36.663 0.3 . 1 . . . . . 100 GLU CG . 27453 1 1199 . 1 1 100 100 GLU N N 15 117.552 0.3 . 1 . . . . . 100 GLU N . 27453 1 1200 . 1 1 101 101 GLN H H 1 7.718 0.02 . 1 . . . . . 101 GLN H . 27453 1 1201 . 1 1 101 101 GLN HA H 1 4.141 0.02 . 1 . . . . . 101 GLN HA . 27453 1 1202 . 1 1 101 101 GLN HB2 H 1 2.549 0.02 . 2 . . . . . 101 GLN HB2 . 27453 1 1203 . 1 1 101 101 GLN HB3 H 1 1.753 0.02 . 2 . . . . . 101 GLN HB3 . 27453 1 1204 . 1 1 101 101 GLN HG2 H 1 1.721 0.02 . 2 . . . . . 101 GLN HG2 . 27453 1 1205 . 1 1 101 101 GLN HG3 H 1 1.822 0.02 . 2 . . . . . 101 GLN HG3 . 27453 1 1206 . 1 1 101 101 GLN HE21 H 1 8.017 0.02 . 2 . . . . . 101 GLU HE21 . 27453 1 1207 . 1 1 101 101 GLN HE22 H 1 7.793 0.02 . 2 . . . . . 101 GLU HE22 . 27453 1 1208 . 1 1 101 101 GLN C C 13 180.234 0.3 . 1 . . . . . 101 GLN C . 27453 1 1209 . 1 1 101 101 GLN CA C 13 57.568 0.3 . 1 . . . . . 101 GLN CA . 27453 1 1210 . 1 1 101 101 GLN CB C 13 28.08 0.3 . 1 . . . . . 101 GLN CB . 27453 1 1211 . 1 1 101 101 GLN CG C 13 33.685 0.3 . 1 . . . . . 101 GLN CG . 27453 1 1212 . 1 1 101 101 GLN N N 15 119.587 0.3 . 1 . . . . . 101 GLN N . 27453 1 1213 . 1 1 101 101 GLN NE2 N 15 114.03 0.3 . 1 . . . . . 101 GLU NE2 . 27453 1 1214 . 1 1 102 102 ALA H H 1 8.601 0.02 . 1 . . . . . 102 ALA H . 27453 1 1215 . 1 1 102 102 ALA HA H 1 4.193 0.02 . 1 . . . . . 102 ALA HA . 27453 1 1216 . 1 1 102 102 ALA HB1 H 1 1.417 0.02 . 1 . . . . . 102 ALA HB . 27453 1 1217 . 1 1 102 102 ALA HB2 H 1 1.417 0.02 . 1 . . . . . 102 ALA HB . 27453 1 1218 . 1 1 102 102 ALA HB3 H 1 1.417 0.02 . 1 . . . . . 102 ALA HB . 27453 1 1219 . 1 1 102 102 ALA C C 13 180.06 0.3 . 1 . . . . . 102 ALA C . 27453 1 1220 . 1 1 102 102 ALA CA C 13 54.852 0.3 . 1 . . . . . 102 ALA CA . 27453 1 1221 . 1 1 102 102 ALA CB C 13 18.609 0.3 . 1 . . . . . 102 ALA CB . 27453 1 1222 . 1 1 102 102 ALA N N 15 123.177 0.3 . 1 . . . . . 102 ALA N . 27453 1 1223 . 1 1 103 103 LYS H H 1 8.134 0.02 . 1 . . . . . 103 LYS H . 27453 1 1224 . 1 1 103 103 LYS HA H 1 4.143 0.02 . 1 . . . . . 103 LYS HA . 27453 1 1225 . 1 1 103 103 LYS HB2 H 1 1.948 0.02 . 1 . . . . . 103 LYS HB2 . 27453 1 1226 . 1 1 103 103 LYS HB3 H 1 1.948 0.02 . 1 . . . . . 103 LYS HB3 . 27453 1 1227 . 1 1 103 103 LYS HG2 H 1 1.379 0.02 . 1 . . . . . 103 LYS HG2 . 27453 1 1228 . 1 1 103 103 LYS HG3 H 1 1.379 0.02 . 1 . . . . . 103 LYS HG3 . 27453 1 1229 . 1 1 103 103 LYS HD2 H 1 1.67 0.02 . 1 . . . . . 103 LYS HD2 . 27453 1 1230 . 1 1 103 103 LYS HD3 H 1 1.67 0.02 . 1 . . . . . 103 LYS HD3 . 27453 1 1231 . 1 1 103 103 LYS HE2 H 1 2.935 0.02 . 1 . . . . . 103 LYS HE2 . 27453 1 1232 . 1 1 103 103 LYS HE3 H 1 2.935 0.02 . 1 . . . . . 103 LYS HE3 . 27453 1 1233 . 1 1 103 103 LYS C C 13 178.923 0.3 . 1 . . . . . 103 LYS C . 27453 1 1234 . 1 1 103 103 LYS CA C 13 59.569 0.3 . 1 . . . . . 103 LYS CA . 27453 1 1235 . 1 1 103 103 LYS CB C 13 32.082 0.3 . 1 . . . . . 103 LYS CB . 27453 1 1236 . 1 1 103 103 LYS CG C 13 24.949 0.3 . 1 . . . . . 103 LYS CG . 27453 1 1237 . 1 1 103 103 LYS CD C 13 29.203 0.3 . 1 . . . . . 103 LYS CD . 27453 1 1238 . 1 1 103 103 LYS CE C 13 42.03 0.3 . 1 . . . . . 103 LYS CE . 27453 1 1239 . 1 1 103 103 LYS N N 15 120.614 0.3 . 1 . . . . . 103 LYS N . 27453 1 1240 . 1 1 104 104 TYR H H 1 7.863 0.02 . 1 . . . . . 104 TYR H . 27453 1 1241 . 1 1 104 104 TYR HA H 1 4.425 0.02 . 1 . . . . . 104 TYR HA . 27453 1 1242 . 1 1 104 104 TYR HB2 H 1 3.189 0.02 . 1 . . . . . 104 TYR HB2 . 27453 1 1243 . 1 1 104 104 TYR HB3 H 1 3.189 0.02 . 1 . . . . . 104 TYR HB3 . 27453 1 1244 . 1 1 104 104 TYR HD1 H 1 6.839 0.02 . 1 . . . . . 104 TYR HD1 . 27453 1 1245 . 1 1 104 104 TYR HD2 H 1 6.839 0.02 . 1 . . . . . 104 TYR HD2 . 27453 1 1246 . 1 1 104 104 TYR C C 13 177.93 0.3 . 1 . . . . . 104 TYR C . 27453 1 1247 . 1 1 104 104 TYR CA C 13 60.774 0.3 . 1 . . . . . 104 TYR CA . 27453 1 1248 . 1 1 104 104 TYR CB C 13 38.037 0.3 . 1 . . . . . 104 TYR CB . 27453 1 1249 . 1 1 104 104 TYR CD1 C 13 128.49 0.3 . 1 . . . . . 104 TYR CD1 . 27453 1 1250 . 1 1 104 104 TYR CD2 C 13 128.49 0.3 . 1 . . . . . 104 TYR CD2 . 27453 1 1251 . 1 1 104 104 TYR N N 15 119.84 0.3 . 1 . . . . . 104 TYR N . 27453 1 1252 . 1 1 105 105 ALA H H 1 8.283 0.02 . 1 . . . . . 105 ALA H . 27453 1 1253 . 1 1 105 105 ALA HA H 1 4.086 0.02 . 1 . . . . . 105 ALA HA . 27453 1 1254 . 1 1 105 105 ALA HB1 H 1 1.71 0.02 . 1 . . . . . 105 ALA HB . 27453 1 1255 . 1 1 105 105 ALA HB2 H 1 1.71 0.02 . 1 . . . . . 105 ALA HB . 27453 1 1256 . 1 1 105 105 ALA HB3 H 1 1.71 0.02 . 1 . . . . . 105 ALA HB . 27453 1 1257 . 1 1 105 105 ALA C C 13 178.969 0.3 . 1 . . . . . 105 ALA C . 27453 1 1258 . 1 1 105 105 ALA CA C 13 55.59 0.3 . 1 . . . . . 105 ALA CA . 27453 1 1259 . 1 1 105 105 ALA CB C 13 18.19 0.3 . 1 . . . . . 105 ALA CB . 27453 1 1260 . 1 1 105 105 ALA N N 15 122.191 0.3 . 1 . . . . . 105 ALA N . 27453 1 1261 . 1 1 106 106 TYR H H 1 8.24 0.02 . 1 . . . . . 106 TYR H . 27453 1 1262 . 1 1 106 106 TYR HA H 1 4.311 0.02 . 1 . . . . . 106 TYR HA . 27453 1 1263 . 1 1 106 106 TYR HB2 H 1 3.175 0.02 . 1 . . . . . 106 TYR HB2 . 27453 1 1264 . 1 1 106 106 TYR HB3 H 1 3.175 0.02 . 1 . . . . . 106 TYR HB3 . 27453 1 1265 . 1 1 106 106 TYR HD1 H 1 7.246 0.02 . 1 . . . . . 106 TYR HD1 . 27453 1 1266 . 1 1 106 106 TYR HD2 H 1 7.246 0.02 . 1 . . . . . 106 TYR HD2 . 27453 1 1267 . 1 1 106 106 TYR HE1 H 1 6.767 0.02 . 1 . . . . . 106 TYR HE1 . 27453 1 1268 . 1 1 106 106 TYR HE2 H 1 6.767 0.02 . 1 . . . . . 106 TYR HE2 . 27453 1 1269 . 1 1 106 106 TYR C C 13 178.129 0.3 . 1 . . . . . 106 TYR C . 27453 1 1270 . 1 1 106 106 TYR CA C 13 61.159 0.3 . 1 . . . . . 106 TYR CA . 27453 1 1271 . 1 1 106 106 TYR CB C 13 38.022 0.3 . 1 . . . . . 106 TYR CB . 27453 1 1272 . 1 1 106 106 TYR CD1 C 13 129.407 0.3 . 1 . . . . . 106 TYR CD1 . 27453 1 1273 . 1 1 106 106 TYR CD2 C 13 129.407 0.3 . 1 . . . . . 106 TYR CD2 . 27453 1 1274 . 1 1 106 106 TYR CE1 C 13 114.396 0.3 . 1 . . . . . 106 TYR CE1 . 27453 1 1275 . 1 1 106 106 TYR CE2 C 13 114.396 0.3 . 1 . . . . . 106 TYR CE2 . 27453 1 1276 . 1 1 106 106 TYR N N 15 118.454 0.3 . 1 . . . . . 106 TYR N . 27453 1 1277 . 1 1 107 107 GLN H H 1 8.278 0.02 . 1 . . . . . 107 GLN H . 27453 1 1278 . 1 1 107 107 GLN HA H 1 3.962 0.02 . 1 . . . . . 107 GLN HA . 27453 1 1279 . 1 1 107 107 GLN HB2 H 1 2.308 0.02 . 2 . . . . . 107 GLN HB2 . 27453 1 1280 . 1 1 107 107 GLN HB3 H 1 2.144 0.02 . 2 . . . . . 107 GLN HB3 . 27453 1 1281 . 1 1 107 107 GLN HG2 H 1 2.613 0.02 . 2 . . . . . 107 GLN HG2 . 27453 1 1282 . 1 1 107 107 GLN HG3 H 1 2.408 0.02 . 2 . . . . . 107 GLN HG3 . 27453 1 1283 . 1 1 107 107 GLN HE21 H 1 7.648 0.02 . 1 . . . . . 107 GLN HE21 . 27453 1 1284 . 1 1 107 107 GLN HE22 H 1 6.875 0.02 . 1 . . . . . 107 GLN HE22 . 27453 1 1285 . 1 1 107 107 GLN C C 13 179.155 0.3 . 1 . . . . . 107 GLN C . 27453 1 1286 . 1 1 107 107 GLN CA C 13 59.175 0.3 . 1 . . . . . 107 GLN CA . 27453 1 1287 . 1 1 107 107 GLN CB C 13 28.052 0.3 . 1 . . . . . 107 GLN CB . 27453 1 1288 . 1 1 107 107 GLN CG C 13 33.934 0.3 . 1 . . . . . 107 GLN CG . 27453 1 1289 . 1 1 107 107 GLN N N 15 119.772 0.3 . 1 . . . . . 107 GLN N . 27453 1 1290 . 1 1 107 107 GLN NE2 N 15 111.467 0.3 . 1 . . . . . 107 GLN NE2 . 27453 1 1291 . 1 1 108 108 ARG H H 1 8.191 0.02 . 1 . . . . . 108 ARG H . 27453 1 1292 . 1 1 108 108 ARG HA H 1 4.014 0.02 . 1 . . . . . 108 ARG HA . 27453 1 1293 . 1 1 108 108 ARG HB2 H 1 1.949 0.02 . 2 . . . . . 108 ARG HB2 . 27453 1 1294 . 1 1 108 108 ARG HB3 H 1 1.825 0.02 . 2 . . . . . 108 ARG HB3 . 27453 1 1295 . 1 1 108 108 ARG HG2 H 1 1.559 0.02 . 1 . . . . . 108 ARG HG2 . 27453 1 1296 . 1 1 108 108 ARG HG3 H 1 1.559 0.02 . 1 . . . . . 108 ARG HG3 . 27453 1 1297 . 1 1 108 108 ARG HD2 H 1 3.098 0.02 . 2 . . . . . 108 ARG HD2 . 27453 1 1298 . 1 1 108 108 ARG HD3 H 1 3.06 0.02 . 2 . . . . . 108 ARG HD3 . 27453 1 1299 . 1 1 108 108 ARG C C 13 178.591 0.3 . 1 . . . . . 108 ARG C . 27453 1 1300 . 1 1 108 108 ARG CA C 13 58.582 0.3 . 1 . . . . . 108 ARG CA . 27453 1 1301 . 1 1 108 108 ARG CB C 13 30.161 0.3 . 1 . . . . . 108 ARG CB . 27453 1 1302 . 1 1 108 108 ARG CG C 13 26.593 0.3 . 1 . . . . . 108 ARG CG . 27453 1 1303 . 1 1 108 108 ARG CD C 13 43.109 0.3 . 1 . . . . . 108 ARG CD . 27453 1 1304 . 1 1 108 108 ARG N N 15 119.251 0.3 . 1 . . . . . 108 ARG N . 27453 1 1305 . 1 1 109 109 TYR H H 1 8.761 0.02 . 1 . . . . . 109 TYR H . 27453 1 1306 . 1 1 109 109 TYR HA H 1 3.863 0.02 . 1 . . . . . 109 TYR HA . 27453 1 1307 . 1 1 109 109 TYR HB2 H 1 3.311 0.02 . 2 . . . . . 109 TYR HB2 . 27453 1 1308 . 1 1 109 109 TYR HB3 H 1 2.974 0.02 . 2 . . . . . 109 TYR HB3 . 27453 1 1309 . 1 1 109 109 TYR HD1 H 1 6.93 0.02 . 1 . . . . . 109 TYR HD1 . 27453 1 1310 . 1 1 109 109 TYR HD2 H 1 6.93 0.02 . 1 . . . . . 109 TYR HD2 . 27453 1 1311 . 1 1 109 109 TYR HE1 H 1 6.661 0.02 . 1 . . . . . 109 TYR HE1 . 27453 1 1312 . 1 1 109 109 TYR HE2 H 1 6.661 0.02 . 1 . . . . . 109 TYR HE2 . 27453 1 1313 . 1 1 109 109 TYR C C 13 177.799 0.3 . 1 . . . . . 109 TYR C . 27453 1 1314 . 1 1 109 109 TYR CA C 13 62.236 0.3 . 1 . . . . . 109 TYR CA . 27453 1 1315 . 1 1 109 109 TYR CB C 13 37.779 0.3 . 1 . . . . . 109 TYR CB . 27453 1 1316 . 1 1 109 109 TYR CD1 C 13 129.313 0.3 . 1 . . . . . 109 TYR CD1 . 27453 1 1317 . 1 1 109 109 TYR CD2 C 13 129.313 0.3 . 1 . . . . . 109 TYR CD2 . 27453 1 1318 . 1 1 109 109 TYR CE1 C 13 114.439 0.3 . 1 . . . . . 109 TYR CE1 . 27453 1 1319 . 1 1 109 109 TYR CE2 C 13 114.439 0.3 . 1 . . . . . 109 TYR CE2 . 27453 1 1320 . 1 1 109 109 TYR N N 15 121.013 0.3 . 1 . . . . . 109 TYR N . 27453 1 1321 . 1 1 110 110 GLN H H 1 8.543 0.02 . 1 . . . . . 110 GLN H . 27453 1 1322 . 1 1 110 110 GLN HA H 1 3.741 0.02 . 1 . . . . . 110 GLN HA . 27453 1 1323 . 1 1 110 110 GLN HB2 H 1 2.016 0.02 . 1 . . . . . 110 GLN HB2 . 27453 1 1324 . 1 1 110 110 GLN HB3 H 1 2.016 0.02 . 1 . . . . . 110 GLN HB3 . 27453 1 1325 . 1 1 110 110 GLN HG2 H 1 2.186 0.02 . 2 . . . . . 110 GLN HG2 . 27453 1 1326 . 1 1 110 110 GLN HG3 H 1 2.067 0.02 . 2 . . . . . 110 GLN HG3 . 27453 1 1327 . 1 1 110 110 GLN HE21 H 1 6.92 0.02 . 2 . . . . . 110 GLN HE21 . 27453 1 1328 . 1 1 110 110 GLN HE22 H 1 6.757 0.02 . 2 . . . . . 110 GLN HE22 . 27453 1 1329 . 1 1 110 110 GLN C C 13 178.591 0.3 . 1 . . . . . 110 GLN C . 27453 1 1330 . 1 1 110 110 GLN CA C 13 58.586 0.3 . 1 . . . . . 110 GLN CA . 27453 1 1331 . 1 1 110 110 GLN CB C 13 28.405 0.3 . 1 . . . . . 110 GLN CB . 27453 1 1332 . 1 1 110 110 GLN CG C 13 33.666 0.3 . 1 . . . . . 110 GLN CG . 27453 1 1333 . 1 1 110 110 GLN N N 15 118.56 0.3 . 1 . . . . . 110 GLN N . 27453 1 1334 . 1 1 110 110 GLN NE2 N 15 112.02 0.3 . 1 . . . . . 110 GLN NE2 . 27453 1 1335 . 1 1 111 111 GLU H H 1 7.865 0.02 . 1 . . . . . 111 GLU H . 27453 1 1336 . 1 1 111 111 GLU HA H 1 3.896 0.02 . 1 . . . . . 111 GLU HA . 27453 1 1337 . 1 1 111 111 GLU HB2 H 1 2.095 0.02 . 2 . . . . . 111 GLU HB2 . 27453 1 1338 . 1 1 111 111 GLU HB3 H 1 1.959 0.02 . 2 . . . . . 111 GLU HB3 . 27453 1 1339 . 1 1 111 111 GLU HG2 H 1 2.384 0.02 . 1 . . . . . 111 GLU HG2 . 27453 1 1340 . 1 1 111 111 GLU HG3 H 1 2.384 0.02 . 1 . . . . . 111 GLU HG3 . 27453 1 1341 . 1 1 111 111 GLU C C 13 177.759 0.3 . 1 . . . . . 111 GLU C . 27453 1 1342 . 1 1 111 111 GLU CA C 13 58.72 0.3 . 1 . . . . . 111 GLU CA . 27453 1 1343 . 1 1 111 111 GLU CB C 13 29.933 0.3 . 1 . . . . . 111 GLU CB . 27453 1 1344 . 1 1 111 111 GLU CG C 13 36.113 0.3 . 1 . . . . . 111 GLU CG . 27453 1 1345 . 1 1 111 111 GLU N N 15 117.668 0.3 . 1 . . . . . 111 GLU N . 27453 1 1346 . 1 1 112 112 ARG H H 1 7.57 0.02 . 1 . . . . . 112 ARG H . 27453 1 1347 . 1 1 112 112 ARG HA H 1 3.955 0.02 . 1 . . . . . 112 ARG HA . 27453 1 1348 . 1 1 112 112 ARG HB2 H 1 1.057 0.02 . 2 . . . . . 112 ARG HB2 . 27453 1 1349 . 1 1 112 112 ARG HB3 H 1 0.713 0.02 . 2 . . . . . 112 ARG HB3 . 27453 1 1350 . 1 1 112 112 ARG HG2 H 1 1.085 0.02 . 1 . . . . . 112 ARG HG2 . 27453 1 1351 . 1 1 112 112 ARG HG3 H 1 1.085 0.02 . 1 . . . . . 112 ARG HG3 . 27453 1 1352 . 1 1 112 112 ARG HD2 H 1 2.883 0.02 . 1 . . . . . 112 ARG HD2 . 27453 1 1353 . 1 1 112 112 ARG HD3 H 1 2.883 0.02 . 1 . . . . . 112 ARG HD3 . 27453 1 1354 . 1 1 112 112 ARG C C 13 177.263 0.3 . 1 . . . . . 112 ARG C . 27453 1 1355 . 1 1 112 112 ARG CA C 13 57.378 0.3 . 1 . . . . . 112 ARG CA . 27453 1 1356 . 1 1 112 112 ARG CB C 13 30.993 0.3 . 1 . . . . . 112 ARG CB . 27453 1 1357 . 1 1 112 112 ARG CG C 13 27.027 0.3 . 1 . . . . . 112 ARG CG . 27453 1 1358 . 1 1 112 112 ARG CD C 13 42.901 0.3 . 1 . . . . . 112 ARG CD . 27453 1 1359 . 1 1 112 112 ARG N N 15 115.739 0.3 . 1 . . . . . 112 ARG N . 27453 1 1360 . 1 1 113 113 TYR H H 1 8.306 0.02 . 1 . . . . . 113 TYR H . 27453 1 1361 . 1 1 113 113 TYR HA H 1 4.709 0.02 . 1 . . . . . 113 TYR HA . 27453 1 1362 . 1 1 113 113 TYR HB2 H 1 2.934 0.02 . 2 . . . . . 113 TYR HB2 . 27453 1 1363 . 1 1 113 113 TYR HB3 H 1 1.607 0.02 . 2 . . . . . 113 TYR HB3 . 27453 1 1364 . 1 1 113 113 TYR HD1 H 1 6.808 0.02 . 1 . . . . . 113 TYR HD1 . 27453 1 1365 . 1 1 113 113 TYR HD2 H 1 6.808 0.02 . 1 . . . . . 113 TYR HD2 . 27453 1 1366 . 1 1 113 113 TYR HE1 H 1 6.689 0.02 . 1 . . . . . 113 TYR HE1 . 27453 1 1367 . 1 1 113 113 TYR C C 13 176.494 0.3 . 1 . . . . . 113 TYR C . 27453 1 1368 . 1 1 113 113 TYR CA C 13 56.977 0.3 . 1 . . . . . 113 TYR CA . 27453 1 1369 . 1 1 113 113 TYR CB C 13 38.782 0.3 . 1 . . . . . 113 TYR CB . 27453 1 1370 . 1 1 113 113 TYR CD1 C 13 129.684 0.3 . 1 . . . . . 113 TYR CD1 . 27453 1 1371 . 1 1 113 113 TYR CD2 C 13 129.684 0.3 . 1 . . . . . 113 TYR CD2 . 27453 1 1372 . 1 1 113 113 TYR CE1 C 13 113.793 0.3 . 1 . . . . . 113 TYR CE1 . 27453 1 1373 . 1 1 113 113 TYR N N 15 115.441 0.3 . 1 . . . . . 113 TYR N . 27453 1 1374 . 1 1 114 114 GLY H H 1 7.6 0.02 . 1 . . . . . 114 GLY H . 27453 1 1375 . 1 1 114 114 GLY HA2 H 1 4.067 0.02 . 2 . . . . . 114 GLY HA2 . 27453 1 1376 . 1 1 114 114 GLY HA3 H 1 3.898 0.02 . 2 . . . . . 114 GLY HA3 . 27453 1 1377 . 1 1 114 114 GLY C C 13 173.801 0.3 . 1 . . . . . 114 GLY C . 27453 1 1378 . 1 1 114 114 GLY CA C 13 45.796 0.3 . 1 . . . . . 114 GLY CA . 27453 1 1379 . 1 1 114 114 GLY N N 15 108.65 0.3 . 1 . . . . . 114 GLY N . 27453 1 1380 . 1 1 115 115 ASN H H 1 8.418 0.02 . 1 . . . . . 115 ASN H . 27453 1 1381 . 1 1 115 115 ASN HA H 1 4.708 0.02 . 1 . . . . . 115 ASN HA . 27453 1 1382 . 1 1 115 115 ASN HB2 H 1 2.856 0.02 . 2 . . . . . 115 ASN HB2 . 27453 1 1383 . 1 1 115 115 ASN HB3 H 1 2.806 0.02 . 2 . . . . . 115 ASN HB3 . 27453 1 1384 . 1 1 115 115 ASN C C 13 175.515 0.3 . 1 . . . . . 115 ASN C . 27453 1 1385 . 1 1 115 115 ASN CA C 13 53.161 0.3 . 1 . . . . . 115 ASN CA . 27453 1 1386 . 1 1 115 115 ASN CB C 13 38.61 0.3 . 1 . . . . . 115 ASN CB . 27453 1 1387 . 1 1 115 115 ASN N N 15 118.252 0.3 . 1 . . . . . 115 ASN N . 27453 1 1388 . 1 1 116 116 LYS H H 1 8.172 0.02 . 1 . . . . . 116 LYS H . 27453 1 1389 . 1 1 116 116 LYS HA H 1 4.327 0.02 . 1 . . . . . 116 LYS HA . 27453 1 1390 . 1 1 116 116 LYS HB2 H 1 1.859 0.02 . 2 . . . . . 116 LYS HB2 . 27453 1 1391 . 1 1 116 116 LYS HB3 H 1 1.763 0.02 . 2 . . . . . 116 LYS HB3 . 27453 1 1392 . 1 1 116 116 LYS HG2 H 1 1.445 0.02 . 1 . . . . . 116 LYS HG2 . 27453 1 1393 . 1 1 116 116 LYS HG3 H 1 1.445 0.02 . 1 . . . . . 116 LYS HG3 . 27453 1 1394 . 1 1 116 116 LYS HD2 H 1 1.674 0.02 . 1 . . . . . 116 LYS HD2 . 27453 1 1395 . 1 1 116 116 LYS HD3 H 1 1.674 0.02 . 1 . . . . . 116 LYS HD3 . 27453 1 1396 . 1 1 116 116 LYS HE2 H 1 2.992 0.02 . 1 . . . . . 116 LYS HE2 . 27453 1 1397 . 1 1 116 116 LYS HE3 H 1 2.992 0.02 . 1 . . . . . 116 LYS HE3 . 27453 1 1398 . 1 1 116 116 LYS C C 13 176.667 0.3 . 1 . . . . . 116 LYS C . 27453 1 1399 . 1 1 116 116 LYS CA C 13 56.332 0.3 . 1 . . . . . 116 LYS CA . 27453 1 1400 . 1 1 116 116 LYS CB C 13 32.62 0.3 . 1 . . . . . 116 LYS CB . 27453 1 1401 . 1 1 116 116 LYS CG C 13 24.75 0.3 . 1 . . . . . 116 LYS CG . 27453 1 1402 . 1 1 116 116 LYS CD C 13 29.123 0.3 . 1 . . . . . 116 LYS CD . 27453 1 1403 . 1 1 116 116 LYS CE C 13 42.104 0.3 . 1 . . . . . 116 LYS CE . 27453 1 1404 . 1 1 116 116 LYS N N 15 121.014 0.3 . 1 . . . . . 116 LYS N . 27453 1 1405 . 1 1 117 117 LYS H H 1 8.338 0.02 . 1 . . . . . 117 LYS H . 27453 1 1406 . 1 1 117 117 LYS HA H 1 4.33 0.02 . 1 . . . . . 117 LYS HA . 27453 1 1407 . 1 1 117 117 LYS HB2 H 1 1.859 0.02 . 2 . . . . . 117 LYS HB2 . 27453 1 1408 . 1 1 117 117 LYS HB3 H 1 1.762 0.02 . 2 . . . . . 117 LYS HB3 . 27453 1 1409 . 1 1 117 117 LYS HG2 H 1 1.446 0.02 . 1 . . . . . 117 LYS HG2 . 27453 1 1410 . 1 1 117 117 LYS HG3 H 1 1.446 0.02 . 1 . . . . . 117 LYS HG3 . 27453 1 1411 . 1 1 117 117 LYS HD2 H 1 1.666 0.02 . 1 . . . . . 117 LYS HD2 . 27453 1 1412 . 1 1 117 117 LYS HD3 H 1 1.666 0.02 . 1 . . . . . 117 LYS HD3 . 27453 1 1413 . 1 1 117 117 LYS HE2 H 1 2.994 0.02 . 1 . . . . . 117 LYS HE2 . 27453 1 1414 . 1 1 117 117 LYS HE3 H 1 2.994 0.02 . 1 . . . . . 117 LYS HE3 . 27453 1 1415 . 1 1 117 117 LYS C C 13 176.947 0.3 . 1 . . . . . 117 LYS C . 27453 1 1416 . 1 1 117 117 LYS CA C 13 56.337 0.3 . 1 . . . . . 117 LYS CA . 27453 1 1417 . 1 1 117 117 LYS CB C 13 32.902 0.3 . 1 . . . . . 117 LYS CB . 27453 1 1418 . 1 1 117 117 LYS CG C 13 24.808 0.3 . 1 . . . . . 117 LYS CG . 27453 1 1419 . 1 1 117 117 LYS CD C 13 29.083 0.3 . 1 . . . . . 117 LYS CD . 27453 1 1420 . 1 1 117 117 LYS CE C 13 42.024 0.3 . 1 . . . . . 117 LYS CE . 27453 1 1421 . 1 1 117 117 LYS N N 15 122.345 0.3 . 1 . . . . . 117 LYS N . 27453 1 1422 . 1 1 118 118 SER H H 1 8.339 0.02 . 1 . . . . . 118 SER H . 27453 1 1423 . 1 1 118 118 SER HA H 1 4.385 0.02 . 1 . . . . . 118 SER HA . 27453 1 1424 . 1 1 118 118 SER HB2 H 1 3.905 0.02 . 2 . . . . . 118 SER HB2 . 27453 1 1425 . 1 1 118 118 SER HB3 H 1 3.861 0.02 . 2 . . . . . 118 SER HB3 . 27453 1 1426 . 1 1 118 118 SER C C 13 176.915 0.3 . 1 . . . . . 118 SER C . 27453 1 1427 . 1 1 118 118 SER CA C 13 58.699 0.3 . 1 . . . . . 118 SER CA . 27453 1 1428 . 1 1 118 118 SER CB C 13 63.816 0.3 . 1 . . . . . 118 SER CB . 27453 1 1429 . 1 1 118 118 SER N N 15 117.024 0.3 . 1 . . . . . 118 SER N . 27453 1 1430 . 1 1 119 119 GLN H H 1 8.465 0.02 . 1 . . . . . 119 GLN H . 27453 1 1431 . 1 1 119 119 GLN HA H 1 4.306 0.02 . 1 . . . . . 119 GLN HA . 27453 1 1432 . 1 1 119 119 GLN HB2 H 1 2.113 0.02 . 2 . . . . . 119 GLN HB2 . 27453 1 1433 . 1 1 119 119 GLN HB3 H 1 1.979 0.02 . 2 . . . . . 119 GLN HB3 . 27453 1 1434 . 1 1 119 119 GLN HG2 H 1 2.362 0.02 . 1 . . . . . 119 GLN HG2 . 27453 1 1435 . 1 1 119 119 GLN HG3 H 1 2.362 0.02 . 1 . . . . . 119 GLN HG3 . 27453 1 1436 . 1 1 119 119 GLN C C 13 175.562 0.3 . 1 . . . . . 119 GLN C . 27453 1 1437 . 1 1 119 119 GLN CA C 13 56.037 0.3 . 1 . . . . . 119 GLN CA . 27453 1 1438 . 1 1 119 119 GLN CB C 13 29.254 0.3 . 1 . . . . . 119 GLN CB . 27453 1 1439 . 1 1 119 119 GLN CG C 13 33.797 0.3 . 1 . . . . . 119 GLN CG . 27453 1 1440 . 1 1 119 119 GLN N N 15 121.818 0.3 . 1 . . . . . 119 GLN N . 27453 1 1441 . 1 1 120 120 ASP H H 1 8.294 0.02 . 1 . . . . . 120 ASP H . 27453 1 1442 . 1 1 120 120 ASP HA H 1 4.598 0.02 . 1 . . . . . 120 ASP HA . 27453 1 1443 . 1 1 120 120 ASP HB2 H 1 2.73 0.02 . 2 . . . . . 120 ASP HB2 . 27453 1 1444 . 1 1 120 120 ASP HB3 H 1 2.576 0.02 . 2 . . . . . 120 ASP HB3 . 27453 1 1445 . 1 1 120 120 ASP C C 13 175.843 0.3 . 1 . . . . . 120 ASP C . 27453 1 1446 . 1 1 120 120 ASP CA C 13 54.413 0.3 . 1 . . . . . 120 ASP CA . 27453 1 1447 . 1 1 120 120 ASP CB C 13 41.124 0.3 . 1 . . . . . 120 ASP CB . 27453 1 1448 . 1 1 120 120 ASP N N 15 120.902 0.3 . 1 . . . . . 120 ASP N . 27453 1 1449 . 1 1 121 121 LEU H H 1 8.059 0.02 . 1 . . . . . 121 LEU H . 27453 1 1450 . 1 1 121 121 LEU HA H 1 4.351 0.02 . 1 . . . . . 121 LEU HA . 27453 1 1451 . 1 1 121 121 LEU HB2 H 1 1.647 0.02 . 2 . . . . . 121 LEU HB2 . 27453 1 1452 . 1 1 121 121 LEU HB3 H 1 1.587 0.02 . 2 . . . . . 121 LEU HB3 . 27453 1 1453 . 1 1 121 121 LEU HG H 1 1.612 0.02 . 1 . . . . . 121 LEU HG . 27453 1 1454 . 1 1 121 121 LEU HD11 H 1 0.917 0.02 . 2 . . . . . 121 LEU HD1 . 27453 1 1455 . 1 1 121 121 LEU HD12 H 1 0.917 0.02 . 2 . . . . . 121 LEU HD1 . 27453 1 1456 . 1 1 121 121 LEU HD13 H 1 0.917 0.02 . 2 . . . . . 121 LEU HD1 . 27453 1 1457 . 1 1 121 121 LEU HD21 H 1 0.859 0.02 . 2 . . . . . 121 LEU HD2 . 27453 1 1458 . 1 1 121 121 LEU HD22 H 1 0.859 0.02 . 2 . . . . . 121 LEU HD2 . 27453 1 1459 . 1 1 121 121 LEU HD23 H 1 0.859 0.02 . 2 . . . . . 121 LEU HD2 . 27453 1 1460 . 1 1 121 121 LEU C C 13 176.253 0.3 . 1 . . . . . 121 LEU C . 27453 1 1461 . 1 1 121 121 LEU CA C 13 55.181 0.3 . 1 . . . . . 121 LEU CA . 27453 1 1462 . 1 1 121 121 LEU CB C 13 42.217 0.3 . 1 . . . . . 121 LEU CB . 27453 1 1463 . 1 1 121 121 LEU CG C 13 26.743 0.3 . 1 . . . . . 121 LEU CG . 27453 1 1464 . 1 1 121 121 LEU CD1 C 13 25.011 0.3 . 1 . . . . . 121 LEU CD1 . 27453 1 1465 . 1 1 121 121 LEU CD2 C 13 23.27 0.3 . 1 . . . . . 121 LEU CD2 . 27453 1 1466 . 1 1 121 121 LEU N N 15 122.429 0.3 . 1 . . . . . 121 LEU N . 27453 1 1467 . 1 1 122 122 LYS H H 1 7.844 0.02 . 1 . . . . . 122 LYS H . 27453 1 1468 . 1 1 122 122 LYS C C 13 181.275 0.3 . 1 . . . . . 122 LYS C . 27453 1 1469 . 1 1 122 122 LYS CA C 13 57.469 0.3 . 1 . . . . . 122 LYS CA . 27453 1 1470 . 1 1 122 122 LYS CB C 13 33.668 0.3 . 1 . . . . . 122 LYS CB . 27453 1 1471 . 1 1 122 122 LYS N N 15 127.092 0.3 . 1 . . . . . 122 LYS N . 27453 1 stop_ save_