data_27518 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27518 _Entry.Title ; chemical shifts assignments of Nb26 against aflatoxin B1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-06-12 _Entry.Accession_date 2018-06-12 _Entry.Last_release_date 2018-06-12 _Entry.Original_release_date 2018-06-12 _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 Yao Nie . . . . 27518 2 Ting He . . . . 27518 3 Jiang Zhu . . . . 27518 4 Yunhuang Yang . . . . 27518 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27518 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 482 27518 '15N chemical shifts' 127 27518 '1H chemical shifts' 729 27518 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 . . 2019-04-11 2018-06-12 update BMRB 'update entry citation' 27518 1 . . 2018-07-19 2018-06-12 original author 'original release' 27518 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27518 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-018-9855-y _Citation.PubMed_ID 30328057 _Citation.Full_citation . _Citation.Title ; Chemical shift assignments of a camelid nanobody against aflatoxin B ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 75 _Citation.Page_last 78 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yao Nie Y. . . . 27518 1 2 Shuangli Li S. . . . 27518 1 3 Jiang Zhu J. . . . 27518 1 4 Rui Hu R. . . . 27518 1 5 Maili Liu M. . . . 27518 1 6 Ting He T. . . . 27518 1 7 Yunhuang Yang Y. . . . 27518 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27518 _Assembly.ID 1 _Assembly.Name Nb26 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14508.1 _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 Nb26 1 $Nb26 A . yes native no no . . . 27518 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nb26 _Entity.Sf_category entity _Entity.Sf_framecode Nb26 _Entity.Entry_ID 27518 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nb26 _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 ; MQLQLVESGGGLVQAGGSLR LSCAASGRTFSSYAMGWFRQ APGKEREFVAVVNWSGRRTY YADSVKGRFTISRDNAKNTV YLQMNSLKPEDTAVYNCAAG KWDGSYYGAPDYWGQGTQVT VSSLEHHHHHH ; _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . MET . 27518 1 2 . GLN . 27518 1 3 . LEU . 27518 1 4 . GLN . 27518 1 5 . LEU . 27518 1 6 . VAL . 27518 1 7 . GLU . 27518 1 8 . SER . 27518 1 9 . GLY . 27518 1 10 . GLY . 27518 1 11 . GLY . 27518 1 12 . LEU . 27518 1 13 . VAL . 27518 1 14 . GLN . 27518 1 15 . ALA . 27518 1 16 . GLY . 27518 1 17 . GLY . 27518 1 18 . SER . 27518 1 19 . LEU . 27518 1 20 . ARG . 27518 1 21 . LEU . 27518 1 22 . SER . 27518 1 23 . CYS . 27518 1 24 . ALA . 27518 1 25 . ALA . 27518 1 26 . SER . 27518 1 27 . GLY . 27518 1 28 . ARG . 27518 1 29 . THR . 27518 1 30 . PHE . 27518 1 31 . SER . 27518 1 32 . SER . 27518 1 33 . TYR . 27518 1 34 . ALA . 27518 1 35 . MET . 27518 1 36 . GLY . 27518 1 37 . TRP . 27518 1 38 . PHE . 27518 1 39 . ARG . 27518 1 40 . GLN . 27518 1 41 . ALA . 27518 1 42 . PRO . 27518 1 43 . GLY . 27518 1 44 . LYS . 27518 1 45 . GLU . 27518 1 46 . ARG . 27518 1 47 . GLU . 27518 1 48 . PHE . 27518 1 49 . VAL . 27518 1 50 . ALA . 27518 1 51 . VAL . 27518 1 52 . VAL . 27518 1 53 . ASN . 27518 1 54 . TRP . 27518 1 55 . SER . 27518 1 56 . GLY . 27518 1 57 . ARG . 27518 1 58 . ARG . 27518 1 59 . THR . 27518 1 60 . TYR . 27518 1 61 . TYR . 27518 1 62 . ALA . 27518 1 63 . ASP . 27518 1 64 . SER . 27518 1 65 . VAL . 27518 1 66 . LYS . 27518 1 67 . GLY . 27518 1 68 . ARG . 27518 1 69 . PHE . 27518 1 70 . THR . 27518 1 71 . ILE . 27518 1 72 . SER . 27518 1 73 . ARG . 27518 1 74 . ASP . 27518 1 75 . ASN . 27518 1 76 . ALA . 27518 1 77 . LYS . 27518 1 78 . ASN . 27518 1 79 . THR . 27518 1 80 . VAL . 27518 1 81 . TYR . 27518 1 82 . LEU . 27518 1 83 . GLN . 27518 1 84 . MET . 27518 1 85 . ASN . 27518 1 86 . SER . 27518 1 87 . LEU . 27518 1 88 . LYS . 27518 1 89 . PRO . 27518 1 90 . GLU . 27518 1 91 . ASP . 27518 1 92 . THR . 27518 1 93 . ALA . 27518 1 94 . VAL . 27518 1 95 . TYR . 27518 1 96 . ASN . 27518 1 97 . CYS . 27518 1 98 . ALA . 27518 1 99 . ALA . 27518 1 100 . GLY . 27518 1 101 . LYS . 27518 1 102 . TRP . 27518 1 103 . ASP . 27518 1 104 . GLY . 27518 1 105 . SER . 27518 1 106 . TYR . 27518 1 107 . TYR . 27518 1 108 . GLY . 27518 1 109 . ALA . 27518 1 110 . PRO . 27518 1 111 . ASP . 27518 1 112 . TYR . 27518 1 113 . TRP . 27518 1 114 . GLY . 27518 1 115 . GLN . 27518 1 116 . GLY . 27518 1 117 . THR . 27518 1 118 . GLN . 27518 1 119 . VAL . 27518 1 120 . THR . 27518 1 121 . VAL . 27518 1 122 . SER . 27518 1 123 . SER . 27518 1 124 . LEU . 27518 1 125 . GLU . 27518 1 126 . HIS . 27518 1 127 . HIS . 27518 1 128 . HIS . 27518 1 129 . HIS . 27518 1 130 . HIS . 27518 1 131 . HIS . 27518 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 . MET 1 1 27518 1 . GLN 2 2 27518 1 . LEU 3 3 27518 1 . GLN 4 4 27518 1 . LEU 5 5 27518 1 . GLU 6 6 27518 1 . VAL 7 7 27518 1 . SER 8 8 27518 1 . GLY 9 9 27518 1 . GLY 10 10 27518 1 . GLY 11 11 27518 1 . LEU 12 12 27518 1 . VAL 13 13 27518 1 . GLN 14 14 27518 1 . ALA 15 15 27518 1 . GLY 16 16 27518 1 . GLY 17 17 27518 1 . SER 18 18 27518 1 . LEU 19 19 27518 1 . ARG 20 20 27518 1 . LEU 21 21 27518 1 . SER 22 22 27518 1 . CYS 23 23 27518 1 . ALA 24 24 27518 1 . ALA 25 25 27518 1 . SER 26 26 27518 1 . GLY 27 27 27518 1 . ARG 28 28 27518 1 . THR 29 29 27518 1 . PHE 30 30 27518 1 . SER 31 31 27518 1 . SER 32 32 27518 1 . TYR 33 33 27518 1 . ALA 34 34 27518 1 . MET 35 35 27518 1 . GLY 36 36 27518 1 . TRP 37 37 27518 1 . PHE 38 38 27518 1 . ARG 39 39 27518 1 . GLN 40 40 27518 1 . ALA 41 41 27518 1 . PRO 42 42 27518 1 . GLY 43 43 27518 1 . LYS 44 44 27518 1 . GLU 45 45 27518 1 . ARG 46 46 27518 1 . GLU 47 47 27518 1 . PHE 48 48 27518 1 . VAL 49 49 27518 1 . ALA 50 50 27518 1 . VAL 51 51 27518 1 . VAL 52 52 27518 1 . ASN 53 53 27518 1 . TRP 54 54 27518 1 . SER 55 55 27518 1 . GLY 56 56 27518 1 . ARG 57 57 27518 1 . ARG 58 58 27518 1 . THR 59 59 27518 1 . TYR 60 60 27518 1 . TYR 61 61 27518 1 . ALA 62 62 27518 1 . ASP 63 63 27518 1 . SER 64 64 27518 1 . VAL 65 65 27518 1 . LYS 66 66 27518 1 . GLY 67 67 27518 1 . ARG 68 68 27518 1 . PHE 69 69 27518 1 . THR 70 70 27518 1 . ILE 71 71 27518 1 . SER 72 72 27518 1 . ARG 73 73 27518 1 . ASP 74 74 27518 1 . ASN 75 75 27518 1 . ALA 76 76 27518 1 . LYS 77 77 27518 1 . ASN 78 78 27518 1 . THR 79 79 27518 1 . VAL 80 80 27518 1 . TYR 81 81 27518 1 . LEU 82 82 27518 1 . GLN 83 83 27518 1 . MET 84 84 27518 1 . ASN 85 85 27518 1 . SER 86 86 27518 1 . LEU 87 87 27518 1 . LYS 88 88 27518 1 . PRO 89 89 27518 1 . GLU 90 90 27518 1 . ASP 91 91 27518 1 . THR 92 92 27518 1 . ALA 93 93 27518 1 . VAL 94 94 27518 1 . TYR 95 95 27518 1 . ASN 96 96 27518 1 . CYS 97 97 27518 1 . ALA 98 98 27518 1 . ALA 99 99 27518 1 . GLY 100 100 27518 1 . LYS 101 101 27518 1 . TRP 102 102 27518 1 . ASP 103 103 27518 1 . GLY 104 104 27518 1 . SER 105 105 27518 1 . TYR 106 106 27518 1 . TYR 107 107 27518 1 . GLY 108 108 27518 1 . ALA 109 109 27518 1 . PRO 110 110 27518 1 . ASP 111 111 27518 1 . TYR 112 112 27518 1 . TRP 113 113 27518 1 . GLY 114 114 27518 1 . GLN 115 115 27518 1 . GLY 116 116 27518 1 . THR 117 117 27518 1 . GLN 118 118 27518 1 . VAL 119 119 27518 1 . THR 120 120 27518 1 . VAL 121 121 27518 1 . SER 122 122 27518 1 . SER 123 123 27518 1 . LEU 124 124 27518 1 . GLU 125 125 27518 1 . HIS 126 126 27518 1 . HIS 127 127 27518 1 . HIS 128 128 27518 1 . HIS 129 129 27518 1 . HIS 130 130 27518 1 . HIS 131 131 27518 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 27518 _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 $Nb26 . 30538 organism . 'Vicugna pacos' Alpaca . . Eukaryota Metazoa Vicugna pacos . . . . . . . . . . . . . 27518 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 27518 _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 $Nb26 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET32m . . . 27518 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27518 _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 Nb26 '[U-99% 13C; U-99% 15N]' . . 1 $Nb26 . . 0.75 . . mM . . . . 27518 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27518 _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 Nb26 '[U-99% 13C; U-99% 15N]' . . 1 $Nb26 . . 0.45 . . mM . . . . 27518 2 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 27518 _Sample_condition_list.ID 1 _Sample_condition_list.Details 20mMMes,100mMNaCl,0.02%NaN3,10%CH3OH 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 27518 1 pH 7.0 . pH 27518 1 pressure 1 . atm 27518 1 temperature 298 . K 27518 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27518 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27518 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27518 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27518 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27518 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27518 _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 spectrometer_1 Bruker Avance . 600 . . . 27518 1 2 spectrometer_2 Bruker Avance . 850 . . . 27518 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 27518 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27518 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27518 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27518 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27518 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27518 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27518 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27518 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27518 1 9 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27518 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27518 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27518 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27518 1 13 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27518 1 14 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27518 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 27518 _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 glucose 'methyl carbons' . . . . ppm 0 na indirect 0.2515 . . . . . 27518 1 H 1 water protons . . . . ppm 0 na indirect 1 . . . . . 27518 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 na indirect 0.1014 . . . . . 27518 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 27518 _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' . . . 27518 1 2 '3D HNCO' . . . 27518 1 3 '3D HNCA' . . . 27518 1 4 '3D HN(CO)CA' . . . 27518 1 5 '3D CBCA(CO)NH' . . . 27518 1 6 '3D HNCACB' . . . 27518 1 7 '3D HBHA(CO)NH' . . . 27518 1 8 '3D HCCH-TOCSY' . . . 27518 1 9 '3D HCCH-COSY' . . . 27518 1 10 '3D 1H-15N NOESY' . . . 27518 1 11 '3D 1H-13C NOESY aliphatic' . . . 27518 1 12 '3D 1H-13C NOESY aromatic' . . . 27518 1 13 '2D 1H-13C HSQC aliphatic' . . . 27518 1 14 '2D 1H-13C HSQC aromatic' . . . 27518 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN HA H 1 4.12 0.02 . 1 . . . . . 2 GLN HA . 27518 1 2 . 1 1 2 2 GLN HB2 H 1 1.97 0.02 . 1 . . . . . 2 GLN HB2 . 27518 1 3 . 1 1 2 2 GLN HB3 H 1 1.91 0.02 . 1 . . . . . 2 GLN HB3 . 27518 1 4 . 1 1 2 2 GLN HG2 H 1 2.34 0.02 . 1 . . . . . 2 GLN HG2 . 27518 1 5 . 1 1 2 2 GLN HG3 H 1 2.34 0.02 . 1 . . . . . 2 GLN HG3 . 27518 1 6 . 1 1 2 2 GLN HE21 H 1 7.59 0.02 . 1 . . . . . 2 GLN HE21 . 27518 1 7 . 1 1 2 2 GLN HE22 H 1 6.93 0.02 . 1 . . . . . 2 GLN HE22 . 27518 1 8 . 1 1 2 2 GLN C C 13 175 0.2 . 1 . . . . . 2 GLN C . 27518 1 9 . 1 1 2 2 GLN CA C 13 56.3 0.2 . 1 . . . . . 2 GLN CA . 27518 1 10 . 1 1 2 2 GLN CB C 13 29.7 0.2 . 1 . . . . . 2 GLN CB . 27518 1 11 . 1 1 2 2 GLN CG C 13 33.8 0.2 . 1 . . . . . 2 GLN CG . 27518 1 12 . 1 1 2 2 GLN NE2 N 15 112.1 0.2 . 1 . . . . . 2 GLN NE2 . 27518 1 13 . 1 1 3 3 LEU H H 1 6 0.02 . 1 . . . . . 3 LEU H . 27518 1 14 . 1 1 3 3 LEU HA H 1 4.51 0.02 . 1 . . . . . 3 LEU HA . 27518 1 15 . 1 1 3 3 LEU HB2 H 1 0.62 0.02 . 1 . . . . . 3 LEU HB2 . 27518 1 16 . 1 1 3 3 LEU HB3 H 1 0.62 0.02 . 1 . . . . . 3 LEU HB3 . 27518 1 17 . 1 1 3 3 LEU HG H 1 1.01 0.02 . 1 . . . . . 3 LEU HG . 27518 1 18 . 1 1 3 3 LEU HD11 H 1 0.4 0.02 . 1 . . . . . 3 LEU HD1 . 27518 1 19 . 1 1 3 3 LEU HD12 H 1 0.4 0.02 . 1 . . . . . 3 LEU HD1 . 27518 1 20 . 1 1 3 3 LEU HD13 H 1 0.4 0.02 . 1 . . . . . 3 LEU HD1 . 27518 1 21 . 1 1 3 3 LEU HD21 H 1 0.5 0.02 . 1 . . . . . 3 LEU HD2 . 27518 1 22 . 1 1 3 3 LEU HD22 H 1 0.5 0.02 . 1 . . . . . 3 LEU HD2 . 27518 1 23 . 1 1 3 3 LEU HD23 H 1 0.5 0.02 . 1 . . . . . 3 LEU HD2 . 27518 1 24 . 1 1 3 3 LEU C C 13 174.7 0.2 . 1 . . . . . 3 LEU C . 27518 1 25 . 1 1 3 3 LEU CA C 13 54 0.2 . 1 . . . . . 3 LEU CA . 27518 1 26 . 1 1 3 3 LEU CB C 13 43.7 0.2 . 1 . . . . . 3 LEU CB . 27518 1 27 . 1 1 3 3 LEU CG C 13 26.7 0.2 . 1 . . . . . 3 LEU CG . 27518 1 28 . 1 1 3 3 LEU CD1 C 13 25.3 0.2 . 1 . . . . . 3 LEU CD1 . 27518 1 29 . 1 1 3 3 LEU CD2 C 13 25 0.2 . 1 . . . . . 3 LEU CD2 . 27518 1 30 . 1 1 3 3 LEU N N 15 120.8 0.2 . 1 . . . . . 3 LEU N . 27518 1 31 . 1 1 4 4 GLN H H 1 8.14 0.02 . 1 . . . . . 4 GLN H . 27518 1 32 . 1 1 4 4 GLN HA H 1 4.4 0.02 . 1 . . . . . 4 GLN HA . 27518 1 33 . 1 1 4 4 GLN HB2 H 1 1.97 0.02 . 1 . . . . . 4 GLN HB2 . 27518 1 34 . 1 1 4 4 GLN HB3 H 1 1.85 0.02 . 1 . . . . . 4 GLN HB3 . 27518 1 35 . 1 1 4 4 GLN HG2 H 1 2.22 0.02 . 1 . . . . . 4 GLN HG2 . 27518 1 36 . 1 1 4 4 GLN HG3 H 1 2.22 0.02 . 1 . . . . . 4 GLN HG3 . 27518 1 37 . 1 1 4 4 GLN HE21 H 1 7.39 0.02 . 1 . . . . . 4 GLN HE21 . 27518 1 38 . 1 1 4 4 GLN HE22 H 1 6.78 0.02 . 1 . . . . . 4 GLN HE22 . 27518 1 39 . 1 1 4 4 GLN C C 13 174.4 0.2 . 1 . . . . . 4 GLN C . 27518 1 40 . 1 1 4 4 GLN CA C 13 55 0.2 . 1 . . . . . 4 GLN CA . 27518 1 41 . 1 1 4 4 GLN CB C 13 30.9 0.2 . 1 . . . . . 4 GLN CB . 27518 1 42 . 1 1 4 4 GLN CG C 13 34 0.2 . 1 . . . . . 4 GLN CG . 27518 1 43 . 1 1 4 4 GLN N N 15 122 0.2 . 1 . . . . . 4 GLN N . 27518 1 44 . 1 1 4 4 GLN NE2 N 15 111.3 0.2 . 1 . . . . . 4 GLN NE2 . 27518 1 45 . 1 1 5 5 LEU H H 1 8.57 0.02 . 1 . . . . . 5 LEU H . 27518 1 46 . 1 1 5 5 LEU HA H 1 4.7 0.02 . 1 . . . . . 5 LEU HA . 27518 1 47 . 1 1 5 5 LEU HB2 H 1 1.33 0.02 . 1 . . . . . 5 LEU HB2 . 27518 1 48 . 1 1 5 5 LEU HB3 H 1 0.96 0.02 . 1 . . . . . 5 LEU HB3 . 27518 1 49 . 1 1 5 5 LEU HG H 1 1.22 0.02 . 1 . . . . . 5 LEU HG . 27518 1 50 . 1 1 5 5 LEU HD21 H 1 0.58 0.02 . 1 . . . . . 5 LEU HD2 . 27518 1 51 . 1 1 5 5 LEU HD22 H 1 0.58 0.02 . 1 . . . . . 5 LEU HD2 . 27518 1 52 . 1 1 5 5 LEU HD23 H 1 0.58 0.02 . 1 . . . . . 5 LEU HD2 . 27518 1 53 . 1 1 5 5 LEU C C 13 175.4 0.2 . 1 . . . . . 5 LEU C . 27518 1 54 . 1 1 5 5 LEU CA C 13 54.1 0.2 . 1 . . . . . 5 LEU CA . 27518 1 55 . 1 1 5 5 LEU CB C 13 44 0.2 . 1 . . . . . 5 LEU CB . 27518 1 56 . 1 1 5 5 LEU CG C 13 27.3 0.2 . 1 . . . . . 5 LEU CG . 27518 1 57 . 1 1 5 5 LEU CD1 C 13 25.6 0.2 . 1 . . . . . 5 LEU CD1 . 27518 1 58 . 1 1 5 5 LEU CD2 C 13 24.5 0.2 . 1 . . . . . 5 LEU CD2 . 27518 1 59 . 1 1 5 5 LEU N N 15 125.4 0.2 . 1 . . . . . 5 LEU N . 27518 1 60 . 1 1 6 6 VAL H H 1 8.24 0.02 . 1 . . . . . 6 VAL H . 27518 1 61 . 1 1 6 6 VAL HA H 1 4.35 0.02 . 1 . . . . . 6 VAL HA . 27518 1 62 . 1 1 6 6 VAL HB H 1 2.06 0.02 . 1 . . . . . 6 VAL HB . 27518 1 63 . 1 1 6 6 VAL HG11 H 1 1 0.02 . 1 . . . . . 6 VAL HG1 . 27518 1 64 . 1 1 6 6 VAL HG12 H 1 1 0.02 . 1 . . . . . 6 VAL HG1 . 27518 1 65 . 1 1 6 6 VAL HG13 H 1 1 0.02 . 1 . . . . . 6 VAL HG1 . 27518 1 66 . 1 1 6 6 VAL HG21 H 1 0.99 0.02 . 1 . . . . . 6 VAL HG2 . 27518 1 67 . 1 1 6 6 VAL HG22 H 1 0.99 0.02 . 1 . . . . . 6 VAL HG2 . 27518 1 68 . 1 1 6 6 VAL HG23 H 1 0.99 0.02 . 1 . . . . . 6 VAL HG2 . 27518 1 69 . 1 1 6 6 VAL C C 13 175.7 0.2 . 1 . . . . . 6 VAL C . 27518 1 70 . 1 1 6 6 VAL CA C 13 62.5 0.2 . 1 . . . . . 6 VAL CA . 27518 1 71 . 1 1 6 6 VAL CB C 13 35 0.2 . 1 . . . . . 6 VAL CB . 27518 1 72 . 1 1 6 6 VAL CG1 C 13 20.9 0.2 . 1 . . . . . 6 VAL CG1 . 27518 1 73 . 1 1 6 6 VAL CG2 C 13 20.9 0.2 . 1 . . . . . 6 VAL CG2 . 27518 1 74 . 1 1 6 6 VAL N N 15 121.4 0.2 . 1 . . . . . 6 VAL N . 27518 1 75 . 1 1 7 7 GLU H H 1 10.32 0.02 . 1 . . . . . 7 GLU H . 27518 1 76 . 1 1 7 7 GLU HA H 1 5.38 0.02 . 1 . . . . . 7 GLU HA . 27518 1 77 . 1 1 7 7 GLU HB2 H 1 2.22 0.02 . 1 . . . . . 7 GLU HB2 . 27518 1 78 . 1 1 7 7 GLU HB3 H 1 2.22 0.02 . 1 . . . . . 7 GLU HB3 . 27518 1 79 . 1 1 7 7 GLU HG2 H 1 2.7 0.02 . 1 . . . . . 7 GLU HG2 . 27518 1 80 . 1 1 7 7 GLU HG3 H 1 2.7 0.02 . 1 . . . . . 7 GLU HG3 . 27518 1 81 . 1 1 7 7 GLU C C 13 176.3 0.2 . 1 . . . . . 7 GLU C . 27518 1 82 . 1 1 7 7 GLU CA C 13 57.1 0.2 . 1 . . . . . 7 GLU CA . 27518 1 83 . 1 1 7 7 GLU CB C 13 30.8 0.2 . 1 . . . . . 7 GLU CB . 27518 1 84 . 1 1 7 7 GLU CG C 13 37.5 0.2 . 1 . . . . . 7 GLU CG . 27518 1 85 . 1 1 7 7 GLU N N 15 132.4 0.2 . 1 . . . . . 7 GLU N . 27518 1 86 . 1 1 8 8 SER H H 1 9.57 0.02 . 1 . . . . . 8 SER H . 27518 1 87 . 1 1 8 8 SER HA H 1 4.8 0.02 . 1 . . . . . 8 SER HA . 27518 1 88 . 1 1 8 8 SER HB2 H 1 3.9 0.02 . 1 . . . . . 8 SER HB2 . 27518 1 89 . 1 1 8 8 SER HB3 H 1 3.9 0.02 . 1 . . . . . 8 SER HB3 . 27518 1 90 . 1 1 8 8 SER C C 13 173.1 0.2 . 1 . . . . . 8 SER C . 27518 1 91 . 1 1 8 8 SER CA C 13 58.1 0.2 . 1 . . . . . 8 SER CA . 27518 1 92 . 1 1 8 8 SER CB C 13 66 0.2 . 1 . . . . . 8 SER CB . 27518 1 93 . 1 1 8 8 SER N N 15 114.9 0.2 . 1 . . . . . 8 SER N . 27518 1 94 . 1 1 9 9 GLY H H 1 8.59 0.02 . 1 . . . . . 9 GLY H . 27518 1 95 . 1 1 9 9 GLY HA2 H 1 4.66 0.02 . 1 . . . . . 9 GLY HA2 . 27518 1 96 . 1 1 9 9 GLY HA3 H 1 3.73 0.02 . 1 . . . . . 9 GLY HA3 . 27518 1 97 . 1 1 9 9 GLY C C 13 174.4 0.2 . 1 . . . . . 9 GLY C . 27518 1 98 . 1 1 9 9 GLY CA C 13 44.9 0.2 . 1 . . . . . 9 GLY CA . 27518 1 99 . 1 1 9 9 GLY N N 15 106.9 0.2 . 1 . . . . . 9 GLY N . 27518 1 100 . 1 1 10 10 GLY H H 1 7.71 0.02 . 1 . . . . . 10 GLY H . 27518 1 101 . 1 1 10 10 GLY HA2 H 1 4.02 0.02 . 1 . . . . . 10 GLY HA2 . 27518 1 102 . 1 1 10 10 GLY HA3 H 1 3.56 0.02 . 1 . . . . . 10 GLY HA3 . 27518 1 103 . 1 1 10 10 GLY C C 13 172.9 0.2 . 1 . . . . . 10 GLY C . 27518 1 104 . 1 1 10 10 GLY CA C 13 45.6 0.2 . 1 . . . . . 10 GLY CA . 27518 1 105 . 1 1 10 10 GLY N N 15 105.8 0.2 . 1 . . . . . 10 GLY N . 27518 1 106 . 1 1 11 11 GLY H H 1 7.44 0.02 . 1 . . . . . 11 GLY H . 27518 1 107 . 1 1 11 11 GLY HA2 H 1 4.16 0.02 . 1 . . . . . 11 GLY HA2 . 27518 1 108 . 1 1 11 11 GLY HA3 H 1 3.91 0.02 . 1 . . . . . 11 GLY HA3 . 27518 1 109 . 1 1 11 11 GLY C C 13 170.4 0.2 . 1 . . . . . 11 GLY C . 27518 1 110 . 1 1 11 11 GLY CA C 13 44.9 0.2 . 1 . . . . . 11 GLY CA . 27518 1 111 . 1 1 11 11 GLY N N 15 107.1 0.2 . 1 . . . . . 11 GLY N . 27518 1 112 . 1 1 12 12 LEU H H 1 8.1 0.02 . 1 . . . . . 12 LEU H . 27518 1 113 . 1 1 12 12 LEU HA H 1 5.28 0.02 . 1 . . . . . 12 LEU HA . 27518 1 114 . 1 1 12 12 LEU HB2 H 1 1.65 0.02 . 1 . . . . . 12 LEU HB2 . 27518 1 115 . 1 1 12 12 LEU HB3 H 1 1.47 0.02 . 1 . . . . . 12 LEU HB3 . 27518 1 116 . 1 1 12 12 LEU HG H 1 1.42 0.02 . 1 . . . . . 12 LEU HG . 27518 1 117 . 1 1 12 12 LEU HD11 H 1 0.84 0.02 . 1 . . . . . 12 LEU HD1 . 27518 1 118 . 1 1 12 12 LEU HD12 H 1 0.84 0.02 . 1 . . . . . 12 LEU HD1 . 27518 1 119 . 1 1 12 12 LEU HD13 H 1 0.84 0.02 . 1 . . . . . 12 LEU HD1 . 27518 1 120 . 1 1 12 12 LEU HD21 H 1 0.84 0.02 . 1 . . . . . 12 LEU HD2 . 27518 1 121 . 1 1 12 12 LEU HD22 H 1 0.84 0.02 . 1 . . . . . 12 LEU HD2 . 27518 1 122 . 1 1 12 12 LEU HD23 H 1 0.84 0.02 . 1 . . . . . 12 LEU HD2 . 27518 1 123 . 1 1 12 12 LEU C C 13 176.4 0.2 . 1 . . . . . 12 LEU C . 27518 1 124 . 1 1 12 12 LEU CA C 13 54.1 0.2 . 1 . . . . . 12 LEU CA . 27518 1 125 . 1 1 12 12 LEU CB C 13 43.4 0.2 . 1 . . . . . 12 LEU CB . 27518 1 126 . 1 1 12 12 LEU CG C 13 27.7 0.2 . 1 . . . . . 12 LEU CG . 27518 1 127 . 1 1 12 12 LEU CD1 C 13 25.2 0.2 . 1 . . . . . 12 LEU CD1 . 27518 1 128 . 1 1 12 12 LEU CD2 C 13 24.6 0.2 . 1 . . . . . 12 LEU CD2 . 27518 1 129 . 1 1 12 12 LEU N N 15 122.7 0.2 . 1 . . . . . 12 LEU N . 27518 1 130 . 1 1 13 13 VAL H H 1 9 0.02 . 1 . . . . . 13 VAL H . 27518 1 131 . 1 1 13 13 VAL HA H 1 4.48 0.02 . 1 . . . . . 13 VAL HA . 27518 1 132 . 1 1 13 13 VAL HB H 1 1.9 0.02 . 1 . . . . . 13 VAL HB . 27518 1 133 . 1 1 13 13 VAL HG11 H 1 0.32 0.02 . 1 . . . . . 13 VAL HG1 . 27518 1 134 . 1 1 13 13 VAL HG12 H 1 0.32 0.02 . 1 . . . . . 13 VAL HG1 . 27518 1 135 . 1 1 13 13 VAL HG13 H 1 0.32 0.02 . 1 . . . . . 13 VAL HG1 . 27518 1 136 . 1 1 13 13 VAL HG21 H 1 0.32 0.02 . 1 . . . . . 13 VAL HG2 . 27518 1 137 . 1 1 13 13 VAL HG22 H 1 0.32 0.02 . 1 . . . . . 13 VAL HG2 . 27518 1 138 . 1 1 13 13 VAL HG23 H 1 0.32 0.02 . 1 . . . . . 13 VAL HG2 . 27518 1 139 . 1 1 13 13 VAL C C 13 173 0.2 . 1 . . . . . 13 VAL C . 27518 1 140 . 1 1 13 13 VAL CA C 13 59.5 0.2 . 1 . . . . . 13 VAL CA . 27518 1 141 . 1 1 13 13 VAL CB C 13 35.7 0.2 . 1 . . . . . 13 VAL CB . 27518 1 142 . 1 1 13 13 VAL CG1 C 13 21.2 0.2 . 1 . . . . . 13 VAL CG1 . 27518 1 143 . 1 1 13 13 VAL CG2 C 13 21.2 0.2 . 1 . . . . . 13 VAL CG2 . 27518 1 144 . 1 1 13 13 VAL N N 15 124.5 0.2 . 1 . . . . . 13 VAL N . 27518 1 145 . 1 1 14 14 GLN H H 1 8.28 0.02 . 1 . . . . . 14 GLN H . 27518 1 146 . 1 1 14 14 GLN HA H 1 4.54 0.02 . 1 . . . . . 14 GLN HA . 27518 1 147 . 1 1 14 14 GLN HB2 H 1 2 0.02 . 1 . . . . . 14 GLN HB2 . 27518 1 148 . 1 1 14 14 GLN HB3 H 1 1.93 0.02 . 1 . . . . . 14 GLN HB3 . 27518 1 149 . 1 1 14 14 GLN HG2 H 1 2.38 0.02 . 1 . . . . . 14 GLN HG2 . 27518 1 150 . 1 1 14 14 GLN HG3 H 1 2.38 0.02 . 1 . . . . . 14 GLN HG3 . 27518 1 151 . 1 1 14 14 GLN HE21 H 1 7.51 0.02 . 1 . . . . . 14 GLN HE21 . 27518 1 152 . 1 1 14 14 GLN HE22 H 1 6.82 0.02 . 1 . . . . . 14 GLN HE22 . 27518 1 153 . 1 1 14 14 GLN C C 13 175.7 0.2 . 1 . . . . . 14 GLN C . 27518 1 154 . 1 1 14 14 GLN CA C 13 55.2 0.2 . 1 . . . . . 14 GLN CA . 27518 1 155 . 1 1 14 14 GLN CB C 13 30 0.2 . 1 . . . . . 14 GLN CB . 27518 1 156 . 1 1 14 14 GLN CG C 13 34.1 0.2 . 1 . . . . . 14 GLN CG . 27518 1 157 . 1 1 14 14 GLN N N 15 123.2 0.2 . 1 . . . . . 14 GLN N . 27518 1 158 . 1 1 14 14 GLN NE2 N 15 111.7 0.2 . 1 . . . . . 14 GLN NE2 . 27518 1 159 . 1 1 15 15 ALA H H 1 8.1 0.02 . 1 . . . . . 15 ALA H . 27518 1 160 . 1 1 15 15 ALA HA H 1 3.62 0.02 . 1 . . . . . 15 ALA HA . 27518 1 161 . 1 1 15 15 ALA HB1 H 1 1.35 0.02 . 1 . . . . . 15 ALA HB . 27518 1 162 . 1 1 15 15 ALA HB2 H 1 1.35 0.02 . 1 . . . . . 15 ALA HB . 27518 1 163 . 1 1 15 15 ALA HB3 H 1 1.35 0.02 . 1 . . . . . 15 ALA HB . 27518 1 164 . 1 1 15 15 ALA C C 13 177.8 0.2 . 1 . . . . . 15 ALA C . 27518 1 165 . 1 1 15 15 ALA CA C 13 53.9 0.2 . 1 . . . . . 15 ALA CA . 27518 1 166 . 1 1 15 15 ALA CB C 13 17.9 0.2 . 1 . . . . . 15 ALA CB . 27518 1 167 . 1 1 15 15 ALA N N 15 124.2 0.2 . 1 . . . . . 15 ALA N . 27518 1 168 . 1 1 16 16 GLY H H 1 9.65 0.02 . 1 . . . . . 16 GLY H . 27518 1 169 . 1 1 16 16 GLY HA2 H 1 4.41 0.02 . 1 . . . . . 16 GLY HA2 . 27518 1 170 . 1 1 16 16 GLY HA3 H 1 3.55 0.02 . 1 . . . . . 16 GLY HA3 . 27518 1 171 . 1 1 16 16 GLY C C 13 175.4 0.2 . 1 . . . . . 16 GLY C . 27518 1 172 . 1 1 16 16 GLY CA C 13 44.9 0.2 . 1 . . . . . 16 GLY CA . 27518 1 173 . 1 1 16 16 GLY N N 15 112.6 0.2 . 1 . . . . . 16 GLY N . 27518 1 174 . 1 1 17 17 GLY H H 1 8.47 0.02 . 1 . . . . . 17 GLY H . 27518 1 175 . 1 1 17 17 GLY HA2 H 1 4.3 0.02 . 1 . . . . . 17 GLY HA2 . 27518 1 176 . 1 1 17 17 GLY HA3 H 1 3.75 0.02 . 1 . . . . . 17 GLY HA3 . 27518 1 177 . 1 1 17 17 GLY C C 13 170.5 0.2 . 1 . . . . . 17 GLY C . 27518 1 178 . 1 1 17 17 GLY CA C 13 44.5 0.2 . 1 . . . . . 17 GLY CA . 27518 1 179 . 1 1 17 17 GLY N N 15 109.2 0.2 . 1 . . . . . 17 GLY N . 27518 1 180 . 1 1 18 18 SER H H 1 7.85 0.02 . 1 . . . . . 18 SER H . 27518 1 181 . 1 1 18 18 SER HA H 1 5.55 0.02 . 1 . . . . . 18 SER HA . 27518 1 182 . 1 1 18 18 SER HB2 H 1 3.78 0.02 . 1 . . . . . 18 SER HB2 . 27518 1 183 . 1 1 18 18 SER HB3 H 1 3.65 0.02 . 1 . . . . . 18 SER HB3 . 27518 1 184 . 1 1 18 18 SER C C 13 172.7 0.2 . 1 . . . . . 18 SER C . 27518 1 185 . 1 1 18 18 SER CA C 13 56.5 0.2 . 1 . . . . . 18 SER CA . 27518 1 186 . 1 1 18 18 SER CB C 13 67.3 0.2 . 1 . . . . . 18 SER CB . 27518 1 187 . 1 1 18 18 SER N N 15 109.8 0.2 . 1 . . . . . 18 SER N . 27518 1 188 . 1 1 19 19 LEU H H 1 8.59 0.02 . 1 . . . . . 19 LEU H . 27518 1 189 . 1 1 19 19 LEU HA H 1 4.34 0.02 . 1 . . . . . 19 LEU HA . 27518 1 190 . 1 1 19 19 LEU HB2 H 1 1.27 0.02 . 1 . . . . . 19 LEU HB2 . 27518 1 191 . 1 1 19 19 LEU HB3 H 1 1.27 0.02 . 1 . . . . . 19 LEU HB3 . 27518 1 192 . 1 1 19 19 LEU HG H 1 1.24 0.02 . 1 . . . . . 19 LEU HG . 27518 1 193 . 1 1 19 19 LEU HD11 H 1 0.72 0.02 . 1 . . . . . 19 LEU HD1 . 27518 1 194 . 1 1 19 19 LEU HD12 H 1 0.72 0.02 . 1 . . . . . 19 LEU HD1 . 27518 1 195 . 1 1 19 19 LEU HD13 H 1 0.72 0.02 . 1 . . . . . 19 LEU HD1 . 27518 1 196 . 1 1 19 19 LEU HD21 H 1 0.72 0.02 . 1 . . . . . 19 LEU HD2 . 27518 1 197 . 1 1 19 19 LEU HD22 H 1 0.72 0.02 . 1 . . . . . 19 LEU HD2 . 27518 1 198 . 1 1 19 19 LEU HD23 H 1 0.72 0.02 . 1 . . . . . 19 LEU HD2 . 27518 1 199 . 1 1 19 19 LEU C C 13 173.2 0.2 . 1 . . . . . 19 LEU C . 27518 1 200 . 1 1 19 19 LEU CA C 13 54.6 0.2 . 1 . . . . . 19 LEU CA . 27518 1 201 . 1 1 19 19 LEU CB C 13 47.8 0.2 . 1 . . . . . 19 LEU CB . 27518 1 202 . 1 1 19 19 LEU CG C 13 26.9 0.2 . 1 . . . . . 19 LEU CG . 27518 1 203 . 1 1 19 19 LEU CD1 C 13 25.4 0.2 . 1 . . . . . 19 LEU CD1 . 27518 1 204 . 1 1 19 19 LEU CD2 C 13 24.8 0.2 . 1 . . . . . 19 LEU CD2 . 27518 1 205 . 1 1 19 19 LEU N N 15 121.9 0.2 . 1 . . . . . 19 LEU N . 27518 1 206 . 1 1 20 20 ARG H H 1 8.18 0.02 . 1 . . . . . 20 ARG H . 27518 1 207 . 1 1 20 20 ARG HA H 1 4.91 0.02 . 1 . . . . . 20 ARG HA . 27518 1 208 . 1 1 20 20 ARG HB2 H 1 1.62 0.02 . 1 . . . . . 20 ARG HB2 . 27518 1 209 . 1 1 20 20 ARG HB3 H 1 1.31 0.02 . 1 . . . . . 20 ARG HB3 . 27518 1 210 . 1 1 20 20 ARG HG2 H 1 1.53 0.02 . 1 . . . . . 20 ARG HG2 . 27518 1 211 . 1 1 20 20 ARG HG3 H 1 1.46 0.02 . 1 . . . . . 20 ARG HG3 . 27518 1 212 . 1 1 20 20 ARG HD2 H 1 2.83 0.02 . 1 . . . . . 20 ARG HD2 . 27518 1 213 . 1 1 20 20 ARG HD3 H 1 2.83 0.02 . 1 . . . . . 20 ARG HD3 . 27518 1 214 . 1 1 20 20 ARG C C 13 175.6 0.2 . 1 . . . . . 20 ARG C . 27518 1 215 . 1 1 20 20 ARG CA C 13 54.4 0.2 . 1 . . . . . 20 ARG CA . 27518 1 216 . 1 1 20 20 ARG CB C 13 32.8 0.2 . 1 . . . . . 20 ARG CB . 27518 1 217 . 1 1 20 20 ARG CG C 13 27.1 0.2 . 1 . . . . . 20 ARG CG . 27518 1 218 . 1 1 20 20 ARG CD C 13 43.4 0.2 . 1 . . . . . 20 ARG CD . 27518 1 219 . 1 1 20 20 ARG N N 15 123.3 0.2 . 1 . . . . . 20 ARG N . 27518 1 220 . 1 1 21 21 LEU H H 1 8.7 0.02 . 1 . . . . . 21 LEU H . 27518 1 221 . 1 1 21 21 LEU HA H 1 4.81 0.02 . 1 . . . . . 21 LEU HA . 27518 1 222 . 1 1 21 21 LEU HB2 H 1 1.16 0.02 . 1 . . . . . 21 LEU HB2 . 27518 1 223 . 1 1 21 21 LEU HB3 H 1 0.9 0.02 . 1 . . . . . 21 LEU HB3 . 27518 1 224 . 1 1 21 21 LEU HG H 1 1.22 0.02 . 1 . . . . . 21 LEU HG . 27518 1 225 . 1 1 21 21 LEU HD11 H 1 0.3 0.02 . 1 . . . . . 21 LEU HD1 . 27518 1 226 . 1 1 21 21 LEU HD12 H 1 0.3 0.02 . 1 . . . . . 21 LEU HD1 . 27518 1 227 . 1 1 21 21 LEU HD13 H 1 0.3 0.02 . 1 . . . . . 21 LEU HD1 . 27518 1 228 . 1 1 21 21 LEU HD21 H 1 0.3 0.02 . 1 . . . . . 21 LEU HD2 . 27518 1 229 . 1 1 21 21 LEU HD22 H 1 0.3 0.02 . 1 . . . . . 21 LEU HD2 . 27518 1 230 . 1 1 21 21 LEU HD23 H 1 0.3 0.02 . 1 . . . . . 21 LEU HD2 . 27518 1 231 . 1 1 21 21 LEU C C 13 176.7 0.2 . 1 . . . . . 21 LEU C . 27518 1 232 . 1 1 21 21 LEU CA C 13 53.2 0.2 . 1 . . . . . 21 LEU CA . 27518 1 233 . 1 1 21 21 LEU CB C 13 43.3 0.2 . 1 . . . . . 21 LEU CB . 27518 1 234 . 1 1 21 21 LEU CG C 13 26.2 0.2 . 1 . . . . . 21 LEU CG . 27518 1 235 . 1 1 21 21 LEU CD1 C 13 21.3 0.2 . 1 . . . . . 21 LEU CD1 . 27518 1 236 . 1 1 21 21 LEU CD2 C 13 21.3 0.2 . 1 . . . . . 21 LEU CD2 . 27518 1 237 . 1 1 21 21 LEU N N 15 126.9 0.2 . 1 . . . . . 21 LEU N . 27518 1 238 . 1 1 22 22 SER H H 1 8.72 0.02 . 1 . . . . . 22 SER H . 27518 1 239 . 1 1 22 22 SER HA H 1 5.63 0.02 . 1 . . . . . 22 SER HA . 27518 1 240 . 1 1 22 22 SER HB2 H 1 3.76 0.02 . 1 . . . . . 22 SER HB2 . 27518 1 241 . 1 1 22 22 SER HB3 H 1 3.63 0.02 . 1 . . . . . 22 SER HB3 . 27518 1 242 . 1 1 22 22 SER C C 13 173.2 0.2 . 1 . . . . . 22 SER C . 27518 1 243 . 1 1 22 22 SER CA C 13 56.8 0.2 . 1 . . . . . 22 SER CA . 27518 1 244 . 1 1 22 22 SER CB C 13 67 0.2 . 1 . . . . . 22 SER CB . 27518 1 245 . 1 1 22 22 SER N N 15 113.4 0.2 . 1 . . . . . 22 SER N . 27518 1 246 . 1 1 23 23 CYS H H 1 9.23 0.02 . 1 . . . . . 23 CYS H . 27518 1 247 . 1 1 23 23 CYS HA H 1 5.14 0.02 . 1 . . . . . 23 CYS HA . 27518 1 248 . 1 1 23 23 CYS HB2 H 1 2.68 0.02 . 1 . . . . . 23 CYS HB2 . 27518 1 249 . 1 1 23 23 CYS HB3 H 1 2.48 0.02 . 1 . . . . . 23 CYS HB3 . 27518 1 250 . 1 1 23 23 CYS C C 13 172.2 0.2 . 1 . . . . . 23 CYS C . 27518 1 251 . 1 1 23 23 CYS CA C 13 57.5 0.2 . 1 . . . . . 23 CYS CA . 27518 1 252 . 1 1 23 23 CYS CB C 13 29.4 0.2 . 1 . . . . . 23 CYS CB . 27518 1 253 . 1 1 23 23 CYS N N 15 121.6 0.2 . 1 . . . . . 23 CYS N . 27518 1 254 . 1 1 24 24 ALA H H 1 8.35 0.02 . 1 . . . . . 24 ALA H . 27518 1 255 . 1 1 24 24 ALA HA H 1 4.91 0.02 . 1 . . . . . 24 ALA HA . 27518 1 256 . 1 1 24 24 ALA HB1 H 1 1.34 0.02 . 1 . . . . . 24 ALA HB . 27518 1 257 . 1 1 24 24 ALA HB2 H 1 1.34 0.02 . 1 . . . . . 24 ALA HB . 27518 1 258 . 1 1 24 24 ALA HB3 H 1 1.34 0.02 . 1 . . . . . 24 ALA HB . 27518 1 259 . 1 1 24 24 ALA C C 13 176.2 0.2 . 1 . . . . . 24 ALA C . 27518 1 260 . 1 1 24 24 ALA CA C 13 50.7 0.2 . 1 . . . . . 24 ALA CA . 27518 1 261 . 1 1 24 24 ALA CB C 13 20.8 0.2 . 1 . . . . . 24 ALA CB . 27518 1 262 . 1 1 24 24 ALA N N 15 132 0.2 . 1 . . . . . 24 ALA N . 27518 1 263 . 1 1 25 25 ALA H H 1 8.43 0.02 . 1 . . . . . 25 ALA H . 27518 1 264 . 1 1 25 25 ALA HA H 1 5.47 0.02 . 1 . . . . . 25 ALA HA . 27518 1 265 . 1 1 25 25 ALA HB1 H 1 1.06 0.02 . 1 . . . . . 25 ALA HB . 27518 1 266 . 1 1 25 25 ALA HB2 H 1 1.06 0.02 . 1 . . . . . 25 ALA HB . 27518 1 267 . 1 1 25 25 ALA HB3 H 1 1.06 0.02 . 1 . . . . . 25 ALA HB . 27518 1 268 . 1 1 25 25 ALA C C 13 177 0.2 . 1 . . . . . 25 ALA C . 27518 1 269 . 1 1 25 25 ALA CA C 13 49.6 0.2 . 1 . . . . . 25 ALA CA . 27518 1 270 . 1 1 25 25 ALA CB C 13 23.3 0.2 . 1 . . . . . 25 ALA CB . 27518 1 271 . 1 1 25 25 ALA N N 15 125.4 0.2 . 1 . . . . . 25 ALA N . 27518 1 272 . 1 1 26 26 SER H H 1 8.74 0.02 . 1 . . . . . 26 SER H . 27518 1 273 . 1 1 26 26 SER C C 13 173.8 0.2 . 1 . . . . . 26 SER C . 27518 1 274 . 1 1 26 26 SER CA C 13 57.7 0.2 . 1 . . . . . 26 SER CA . 27518 1 275 . 1 1 26 26 SER CB C 13 64.6 0.2 . 1 . . . . . 26 SER CB . 27518 1 276 . 1 1 26 26 SER N N 15 117 0.2 . 1 . . . . . 26 SER N . 27518 1 277 . 1 1 27 27 GLY H H 1 8.45 0.02 . 1 . . . . . 27 GLY H . 27518 1 278 . 1 1 27 27 GLY CA C 13 44.7 0.2 . 1 . . . . . 27 GLY CA . 27518 1 279 . 1 1 27 27 GLY N N 15 112.1 0.2 . 1 . . . . . 27 GLY N . 27518 1 280 . 1 1 29 29 THR HA H 1 4.52 0.02 . 1 . . . . . 29 THR HA . 27518 1 281 . 1 1 29 29 THR C C 13 175 0.2 . 1 . . . . . 29 THR C . 27518 1 282 . 1 1 29 29 THR CA C 13 61.8 0.2 . 1 . . . . . 29 THR CA . 27518 1 283 . 1 1 29 29 THR CB C 13 68.7 0.2 . 1 . . . . . 29 THR CB . 27518 1 284 . 1 1 30 30 PHE H H 1 7.74 0.02 . 1 . . . . . 30 PHE H . 27518 1 285 . 1 1 30 30 PHE HA H 1 4.03 0.02 . 1 . . . . . 30 PHE HA . 27518 1 286 . 1 1 30 30 PHE HB2 H 1 3.1 0.02 . 1 . . . . . 30 PHE HB2 . 27518 1 287 . 1 1 30 30 PHE HB3 H 1 3.1 0.02 . 1 . . . . . 30 PHE HB3 . 27518 1 288 . 1 1 30 30 PHE C C 13 176.2 0.2 . 1 . . . . . 30 PHE C . 27518 1 289 . 1 1 30 30 PHE CA C 13 62.3 0.2 . 1 . . . . . 30 PHE CA . 27518 1 290 . 1 1 30 30 PHE CB C 13 40.2 0.2 . 1 . . . . . 30 PHE CB . 27518 1 291 . 1 1 30 30 PHE N N 15 123 0.2 . 1 . . . . . 30 PHE N . 27518 1 292 . 1 1 31 31 SER H H 1 8.51 0.02 . 1 . . . . . 31 SER H . 27518 1 293 . 1 1 31 31 SER HA H 1 4.12 0.02 . 1 . . . . . 31 SER HA . 27518 1 294 . 1 1 31 31 SER HB2 H 1 4.07 0.02 . 1 . . . . . 31 SER HB2 . 27518 1 295 . 1 1 31 31 SER HB3 H 1 4.07 0.02 . 1 . . . . . 31 SER HB3 . 27518 1 296 . 1 1 31 31 SER C C 13 173.1 0.2 . 1 . . . . . 31 SER C . 27518 1 297 . 1 1 31 31 SER CA C 13 60.3 0.2 . 1 . . . . . 31 SER CA . 27518 1 298 . 1 1 31 31 SER CB C 13 63.1 0.2 . 1 . . . . . 31 SER CB . 27518 1 299 . 1 1 31 31 SER N N 15 109.7 0.2 . 1 . . . . . 31 SER N . 27518 1 300 . 1 1 32 32 SER H H 1 8 0.02 . 1 . . . . . 32 SER H . 27518 1 301 . 1 1 32 32 SER HA H 1 4.39 0.02 . 1 . . . . . 32 SER HA . 27518 1 302 . 1 1 32 32 SER HB2 H 1 3.66 0.02 . 1 . . . . . 32 SER HB2 . 27518 1 303 . 1 1 32 32 SER HB3 H 1 3.57 0.02 . 1 . . . . . 32 SER HB3 . 27518 1 304 . 1 1 32 32 SER C C 13 174 0.2 . 1 . . . . . 32 SER C . 27518 1 305 . 1 1 32 32 SER CA C 13 58.8 0.2 . 1 . . . . . 32 SER CA . 27518 1 306 . 1 1 32 32 SER CB C 13 63.9 0.2 . 1 . . . . . 32 SER CB . 27518 1 307 . 1 1 32 32 SER N N 15 113.4 0.2 . 1 . . . . . 32 SER N . 27518 1 308 . 1 1 33 33 TYR H H 1 7.64 0.02 . 1 . . . . . 33 TYR H . 27518 1 309 . 1 1 33 33 TYR HA H 1 4.64 0.02 . 1 . . . . . 33 TYR HA . 27518 1 310 . 1 1 33 33 TYR HB2 H 1 3.33 0.02 . 1 . . . . . 33 TYR HB2 . 27518 1 311 . 1 1 33 33 TYR HB3 H 1 2.57 0.02 . 1 . . . . . 33 TYR HB3 . 27518 1 312 . 1 1 33 33 TYR HD1 H 1 7.01 0.02 . 1 . . . . . 33 TYR HD1 . 27518 1 313 . 1 1 33 33 TYR HD2 H 1 7.01 0.02 . 1 . . . . . 33 TYR HD2 . 27518 1 314 . 1 1 33 33 TYR HE1 H 1 6.8 0.02 . 1 . . . . . 33 TYR HE1 . 27518 1 315 . 1 1 33 33 TYR HE2 H 1 6.8 0.02 . 1 . . . . . 33 TYR HE2 . 27518 1 316 . 1 1 33 33 TYR C C 13 176.9 0.2 . 1 . . . . . 33 TYR C . 27518 1 317 . 1 1 33 33 TYR CA C 13 58.7 0.2 . 1 . . . . . 33 TYR CA . 27518 1 318 . 1 1 33 33 TYR CB C 13 41.4 0.2 . 1 . . . . . 33 TYR CB . 27518 1 319 . 1 1 33 33 TYR CD1 C 13 133.6 0.2 . 1 . . . . . 33 TYR CD1 . 27518 1 320 . 1 1 33 33 TYR CD2 C 13 133.6 0.2 . 1 . . . . . 33 TYR CD2 . 27518 1 321 . 1 1 33 33 TYR CE1 C 13 118 0.2 . 1 . . . . . 33 TYR CE1 . 27518 1 322 . 1 1 33 33 TYR CE2 C 13 118 0.2 . 1 . . . . . 33 TYR CE2 . 27518 1 323 . 1 1 33 33 TYR N N 15 119.7 0.2 . 1 . . . . . 33 TYR N . 27518 1 324 . 1 1 34 34 ALA H H 1 8.84 0.02 . 1 . . . . . 34 ALA H . 27518 1 325 . 1 1 34 34 ALA HA H 1 4.41 0.02 . 1 . . . . . 34 ALA HA . 27518 1 326 . 1 1 34 34 ALA HB1 H 1 1.78 0.02 . 1 . . . . . 34 ALA HB . 27518 1 327 . 1 1 34 34 ALA HB2 H 1 1.78 0.02 . 1 . . . . . 34 ALA HB . 27518 1 328 . 1 1 34 34 ALA HB3 H 1 1.78 0.02 . 1 . . . . . 34 ALA HB . 27518 1 329 . 1 1 34 34 ALA C C 13 175.8 0.2 . 1 . . . . . 34 ALA C . 27518 1 330 . 1 1 34 34 ALA CA C 13 52.9 0.2 . 1 . . . . . 34 ALA CA . 27518 1 331 . 1 1 34 34 ALA CB C 13 20.9 0.2 . 1 . . . . . 34 ALA CB . 27518 1 332 . 1 1 34 34 ALA N N 15 125.3 0.2 . 1 . . . . . 34 ALA N . 27518 1 333 . 1 1 35 35 MET H H 1 8.32 0.02 . 1 . . . . . 35 MET H . 27518 1 334 . 1 1 35 35 MET HA H 1 5.75 0.02 . 1 . . . . . 35 MET HA . 27518 1 335 . 1 1 35 35 MET HB2 H 1 1.65 0.02 . 1 . . . . . 35 MET HB2 . 27518 1 336 . 1 1 35 35 MET HB3 H 1 1.65 0.02 . 1 . . . . . 35 MET HB3 . 27518 1 337 . 1 1 35 35 MET HG2 H 1 2.29 0.02 . 1 . . . . . 35 MET HG2 . 27518 1 338 . 1 1 35 35 MET HG3 H 1 2.29 0.02 . 1 . . . . . 35 MET HG3 . 27518 1 339 . 1 1 35 35 MET C C 13 174.6 0.2 . 1 . . . . . 35 MET C . 27518 1 340 . 1 1 35 35 MET CA C 13 52.3 0.2 . 1 . . . . . 35 MET CA . 27518 1 341 . 1 1 35 35 MET CB C 13 35.1 0.2 . 1 . . . . . 35 MET CB . 27518 1 342 . 1 1 35 35 MET N N 15 118.2 0.2 . 1 . . . . . 35 MET N . 27518 1 343 . 1 1 36 36 GLY H H 1 9.44 0.02 . 1 . . . . . 36 GLY H . 27518 1 344 . 1 1 36 36 GLY HA2 H 1 5.31 0.02 . 1 . . . . . 36 GLY HA2 . 27518 1 345 . 1 1 36 36 GLY HA3 H 1 3.56 0.02 . 1 . . . . . 36 GLY HA3 . 27518 1 346 . 1 1 36 36 GLY C C 13 171.3 0.2 . 1 . . . . . 36 GLY C . 27518 1 347 . 1 1 36 36 GLY CA C 13 44.3 0.2 . 1 . . . . . 36 GLY CA . 27518 1 348 . 1 1 36 36 GLY N N 15 109.6 0.2 . 1 . . . . . 36 GLY N . 27518 1 349 . 1 1 37 37 TRP H H 1 9.21 0.02 . 1 . . . . . 37 TRP H . 27518 1 350 . 1 1 37 37 TRP HA H 1 5.74 0.02 . 1 . . . . . 37 TRP HA . 27518 1 351 . 1 1 37 37 TRP HB2 H 1 3.12 0.02 . 1 . . . . . 37 TRP HB2 . 27518 1 352 . 1 1 37 37 TRP HB3 H 1 2.65 0.02 . 1 . . . . . 37 TRP HB3 . 27518 1 353 . 1 1 37 37 TRP HD1 H 1 6.94 0.02 . 1 . . . . . 37 TRP HD1 . 27518 1 354 . 1 1 37 37 TRP HE1 H 1 7.61 0.02 . 1 . . . . . 37 TRP HE1 . 27518 1 355 . 1 1 37 37 TRP HE3 H 1 7.16 0.02 . 1 . . . . . 37 TRP HE3 . 27518 1 356 . 1 1 37 37 TRP HZ2 H 1 6.85 0.02 . 1 . . . . . 37 TRP HZ2 . 27518 1 357 . 1 1 37 37 TRP HZ3 H 1 6.86 0.02 . 1 . . . . . 37 TRP HZ3 . 27518 1 358 . 1 1 37 37 TRP HH2 H 1 6.95 0.02 . 1 . . . . . 37 TRP HH2 . 27518 1 359 . 1 1 37 37 TRP C C 13 174.4 0.2 . 1 . . . . . 37 TRP C . 27518 1 360 . 1 1 37 37 TRP CA C 13 55.8 0.2 . 1 . . . . . 37 TRP CA . 27518 1 361 . 1 1 37 37 TRP CB C 13 32.3 0.2 . 1 . . . . . 37 TRP CB . 27518 1 362 . 1 1 37 37 TRP CD1 C 13 125.7 0.2 . 1 . . . . . 37 TRP CD1 . 27518 1 363 . 1 1 37 37 TRP CE3 C 13 120.5 0.2 . 1 . . . . . 37 TRP CE3 . 27518 1 364 . 1 1 37 37 TRP CZ2 C 13 113.8 0.2 . 1 . . . . . 37 TRP CZ2 . 27518 1 365 . 1 1 37 37 TRP CZ3 C 13 122.7 0.2 . 1 . . . . . 37 TRP CZ3 . 27518 1 366 . 1 1 37 37 TRP CH2 C 13 125.1 0.2 . 1 . . . . . 37 TRP CH2 . 27518 1 367 . 1 1 37 37 TRP N N 15 117.7 0.2 . 1 . . . . . 37 TRP N . 27518 1 368 . 1 1 37 37 TRP NE1 N 15 121.9 0.2 . 1 . . . . . 37 TRP NE1 . 27518 1 369 . 1 1 38 38 PHE H H 1 9.84 0.02 . 1 . . . . . 38 PHE H . 27518 1 370 . 1 1 38 38 PHE HA H 1 5.16 0.02 . 1 . . . . . 38 PHE HA . 27518 1 371 . 1 1 38 38 PHE HB2 H 1 3.09 0.02 . 1 . . . . . 38 PHE HB2 . 27518 1 372 . 1 1 38 38 PHE HB3 H 1 2.85 0.02 . 1 . . . . . 38 PHE HB3 . 27518 1 373 . 1 1 38 38 PHE HD1 H 1 7.08 0.02 . 1 . . . . . 38 PHE HD1 . 27518 1 374 . 1 1 38 38 PHE HD2 H 1 7.08 0.02 . 1 . . . . . 38 PHE HD2 . 27518 1 375 . 1 1 38 38 PHE HE1 H 1 7.35 0.02 . 1 . . . . . 38 PHE HE1 . 27518 1 376 . 1 1 38 38 PHE HE2 H 1 7.35 0.02 . 1 . . . . . 38 PHE HE2 . 27518 1 377 . 1 1 38 38 PHE C C 13 173.9 0.2 . 1 . . . . . 38 PHE C . 27518 1 378 . 1 1 38 38 PHE CA C 13 56.1 0.2 . 1 . . . . . 38 PHE CA . 27518 1 379 . 1 1 38 38 PHE CB C 13 43.7 0.2 . 1 . . . . . 38 PHE CB . 27518 1 380 . 1 1 38 38 PHE CD1 C 13 132.4 0.2 . 1 . . . . . 38 PHE CD1 . 27518 1 381 . 1 1 38 38 PHE CD2 C 13 132.4 0.2 . 1 . . . . . 38 PHE CD2 . 27518 1 382 . 1 1 38 38 PHE CE1 C 13 131.7 0.2 . 1 . . . . . 38 PHE CE1 . 27518 1 383 . 1 1 38 38 PHE CE2 C 13 131.7 0.2 . 1 . . . . . 38 PHE CE2 . 27518 1 384 . 1 1 38 38 PHE N N 15 121.9 0.2 . 1 . . . . . 38 PHE N . 27518 1 385 . 1 1 39 39 ARG H H 1 9.5 0.02 . 1 . . . . . 39 ARG H . 27518 1 386 . 1 1 39 39 ARG HA H 1 5.69 0.02 . 1 . . . . . 39 ARG HA . 27518 1 387 . 1 1 39 39 ARG HB2 H 1 0.65 0.02 . 1 . . . . . 39 ARG HB2 . 27518 1 388 . 1 1 39 39 ARG HB3 H 1 0.65 0.02 . 1 . . . . . 39 ARG HB3 . 27518 1 389 . 1 1 39 39 ARG HG2 H 1 1.29 0.02 . 1 . . . . . 39 ARG HG2 . 27518 1 390 . 1 1 39 39 ARG HG3 H 1 1.29 0.02 . 1 . . . . . 39 ARG HG3 . 27518 1 391 . 1 1 39 39 ARG HD2 H 1 2.58 0.02 . 1 . . . . . 39 ARG HD2 . 27518 1 392 . 1 1 39 39 ARG HD3 H 1 2.58 0.02 . 1 . . . . . 39 ARG HD3 . 27518 1 393 . 1 1 39 39 ARG HE H 1 7.44 0.02 . 1 . . . . . 39 ARG HE . 27518 1 394 . 1 1 39 39 ARG C C 13 173.4 0.2 . 1 . . . . . 39 ARG C . 27518 1 395 . 1 1 39 39 ARG CA C 13 53.4 0.2 . 1 . . . . . 39 ARG CA . 27518 1 396 . 1 1 39 39 ARG CB C 13 32.3 0.2 . 1 . . . . . 39 ARG CB . 27518 1 397 . 1 1 39 39 ARG CG C 13 24.5 0.2 . 1 . . . . . 39 ARG CG . 27518 1 398 . 1 1 39 39 ARG CD C 13 45.1 0.2 . 1 . . . . . 39 ARG CD . 27518 1 399 . 1 1 39 39 ARG N N 15 115.9 0.2 . 1 . . . . . 39 ARG N . 27518 1 400 . 1 1 39 39 ARG NE N 15 83.8 0.2 . 1 . . . . . 39 ARG NE . 27518 1 401 . 1 1 40 40 GLN H H 1 8.74 0.02 . 1 . . . . . 40 GLN H . 27518 1 402 . 1 1 40 40 GLN HA H 1 4.78 0.02 . 1 . . . . . 40 GLN HA . 27518 1 403 . 1 1 40 40 GLN HB2 H 1 2 0.02 . 1 . . . . . 40 GLN HB2 . 27518 1 404 . 1 1 40 40 GLN HB3 H 1 1.59 0.02 . 1 . . . . . 40 GLN HB3 . 27518 1 405 . 1 1 40 40 GLN HG2 H 1 2 0.02 . 1 . . . . . 40 GLN HG2 . 27518 1 406 . 1 1 40 40 GLN HG3 H 1 2 0.02 . 1 . . . . . 40 GLN HG3 . 27518 1 407 . 1 1 40 40 GLN HE21 H 1 7.71 0.02 . 1 . . . . . 40 GLN HE21 . 27518 1 408 . 1 1 40 40 GLN HE22 H 1 6.71 0.02 . 1 . . . . . 40 GLN HE22 . 27518 1 409 . 1 1 40 40 GLN C C 13 174.3 0.2 . 1 . . . . . 40 GLN C . 27518 1 410 . 1 1 40 40 GLN CA C 13 55 0.2 . 1 . . . . . 40 GLN CA . 27518 1 411 . 1 1 40 40 GLN CB C 13 31.6 0.2 . 1 . . . . . 40 GLN CB . 27518 1 412 . 1 1 40 40 GLN CG C 13 33.4 0.2 . 1 . . . . . 40 GLN CG . 27518 1 413 . 1 1 40 40 GLN N N 15 120.7 0.2 . 1 . . . . . 40 GLN N . 27518 1 414 . 1 1 40 40 GLN NE2 N 15 111.4 0.2 . 1 . . . . . 40 GLN NE2 . 27518 1 415 . 1 1 41 41 ALA H H 1 9.46 0.02 . 1 . . . . . 41 ALA H . 27518 1 416 . 1 1 41 41 ALA HA H 1 4.83 0.02 . 1 . . . . . 41 ALA HA . 27518 1 417 . 1 1 41 41 ALA HB1 H 1 1.43 0.02 . 1 . . . . . 41 ALA HB . 27518 1 418 . 1 1 41 41 ALA HB2 H 1 1.43 0.02 . 1 . . . . . 41 ALA HB . 27518 1 419 . 1 1 41 41 ALA HB3 H 1 1.43 0.02 . 1 . . . . . 41 ALA HB . 27518 1 420 . 1 1 41 41 ALA C C 13 174.4 0.2 . 1 . . . . . 41 ALA C . 27518 1 421 . 1 1 41 41 ALA CA C 13 49.7 0.2 . 1 . . . . . 41 ALA CA . 27518 1 422 . 1 1 41 41 ALA CB C 13 18.6 0.2 . 1 . . . . . 41 ALA CB . 27518 1 423 . 1 1 41 41 ALA N N 15 108.2 0.2 . 1 . . . . . 41 ALA N . 27518 1 424 . 1 1 42 42 PRO HA H 1 4.3 0.02 . 1 . . . . . 42 PRO HA . 27518 1 425 . 1 1 42 42 PRO HB2 H 1 2.26 0.02 . 1 . . . . . 42 PRO HB2 . 27518 1 426 . 1 1 42 42 PRO HB3 H 1 2.26 0.02 . 1 . . . . . 42 PRO HB3 . 27518 1 427 . 1 1 42 42 PRO HG2 H 1 2.13 0.02 . 1 . . . . . 42 PRO HG2 . 27518 1 428 . 1 1 42 42 PRO HG3 H 1 2 0.02 . 1 . . . . . 42 PRO HG3 . 27518 1 429 . 1 1 42 42 PRO HD2 H 1 3.82 0.02 . 1 . . . . . 42 PRO HD2 . 27518 1 430 . 1 1 42 42 PRO HD3 H 1 3.64 0.02 . 1 . . . . . 42 PRO HD3 . 27518 1 431 . 1 1 42 42 PRO C C 13 178.2 0.2 . 1 . . . . . 42 PRO C . 27518 1 432 . 1 1 42 42 PRO CA C 13 64.1 0.2 . 1 . . . . . 42 PRO CA . 27518 1 433 . 1 1 42 42 PRO CB C 13 31.6 0.2 . 1 . . . . . 42 PRO CB . 27518 1 434 . 1 1 42 42 PRO CG C 13 27.9 0.2 . 1 . . . . . 42 PRO CG . 27518 1 435 . 1 1 42 42 PRO CD C 13 50.3 0.2 . 1 . . . . . 42 PRO CD . 27518 1 436 . 1 1 43 43 GLY H H 1 8.71 0.02 . 1 . . . . . 43 GLY H . 27518 1 437 . 1 1 43 43 GLY HA2 H 1 4.09 0.02 . 1 . . . . . 43 GLY HA2 . 27518 1 438 . 1 1 43 43 GLY HA3 H 1 3.72 0.02 . 1 . . . . . 43 GLY HA3 . 27518 1 439 . 1 1 43 43 GLY C C 13 173.7 0.2 . 1 . . . . . 43 GLY C . 27518 1 440 . 1 1 43 43 GLY CA C 13 45.8 0.2 . 1 . . . . . 43 GLY CA . 27518 1 441 . 1 1 43 43 GLY N N 15 112.3 0.2 . 1 . . . . . 43 GLY N . 27518 1 442 . 1 1 44 44 LYS H H 1 7.89 0.02 . 1 . . . . . 44 LYS H . 27518 1 443 . 1 1 44 44 LYS HA H 1 4.76 0.02 . 1 . . . . . 44 LYS HA . 27518 1 444 . 1 1 44 44 LYS HB2 H 1 2.01 0.02 . 1 . . . . . 44 LYS HB2 . 27518 1 445 . 1 1 44 44 LYS HB3 H 1 1.9 0.02 . 1 . . . . . 44 LYS HB3 . 27518 1 446 . 1 1 44 44 LYS HG2 H 1 1.41 0.02 . 1 . . . . . 44 LYS HG2 . 27518 1 447 . 1 1 44 44 LYS HG3 H 1 1.41 0.02 . 1 . . . . . 44 LYS HG3 . 27518 1 448 . 1 1 44 44 LYS HD2 H 1 1.67 0.02 . 1 . . . . . 44 LYS HD2 . 27518 1 449 . 1 1 44 44 LYS HD3 H 1 1.67 0.02 . 1 . . . . . 44 LYS HD3 . 27518 1 450 . 1 1 44 44 LYS HE2 H 1 3 0.02 . 1 . . . . . 44 LYS HE2 . 27518 1 451 . 1 1 44 44 LYS HE3 H 1 3 0.02 . 1 . . . . . 44 LYS HE3 . 27518 1 452 . 1 1 44 44 LYS C C 13 175.9 0.2 . 1 . . . . . 44 LYS C . 27518 1 453 . 1 1 44 44 LYS CA C 13 54.3 0.2 . 1 . . . . . 44 LYS CA . 27518 1 454 . 1 1 44 44 LYS CB C 13 35.5 0.2 . 1 . . . . . 44 LYS CB . 27518 1 455 . 1 1 44 44 LYS CG C 13 24.9 0.2 . 1 . . . . . 44 LYS CG . 27518 1 456 . 1 1 44 44 LYS CD C 13 28.9 0.2 . 1 . . . . . 44 LYS CD . 27518 1 457 . 1 1 44 44 LYS CE C 13 42.2 0.2 . 1 . . . . . 44 LYS CE . 27518 1 458 . 1 1 44 44 LYS N N 15 119.7 0.2 . 1 . . . . . 44 LYS N . 27518 1 459 . 1 1 45 45 GLU H H 1 8.33 0.02 . 1 . . . . . 45 GLU H . 27518 1 460 . 1 1 45 45 GLU HA H 1 4.33 0.02 . 1 . . . . . 45 GLU HA . 27518 1 461 . 1 1 45 45 GLU HB2 H 1 2.11 0.02 . 1 . . . . . 45 GLU HB2 . 27518 1 462 . 1 1 45 45 GLU HB3 H 1 1.93 0.02 . 1 . . . . . 45 GLU HB3 . 27518 1 463 . 1 1 45 45 GLU HG2 H 1 2.4 0.02 . 1 . . . . . 45 GLU HG2 . 27518 1 464 . 1 1 45 45 GLU HG3 H 1 2.33 0.02 . 1 . . . . . 45 GLU HG3 . 27518 1 465 . 1 1 45 45 GLU C C 13 176.9 0.2 . 1 . . . . . 45 GLU C . 27518 1 466 . 1 1 45 45 GLU CA C 13 55.7 0.2 . 1 . . . . . 45 GLU CA . 27518 1 467 . 1 1 45 45 GLU CB C 13 30.7 0.2 . 1 . . . . . 45 GLU CB . 27518 1 468 . 1 1 45 45 GLU CG C 13 36.4 0.2 . 1 . . . . . 45 GLU CG . 27518 1 469 . 1 1 45 45 GLU N N 15 118.8 0.2 . 1 . . . . . 45 GLU N . 27518 1 470 . 1 1 46 46 ARG H H 1 8.73 0.02 . 1 . . . . . 46 ARG H . 27518 1 471 . 1 1 46 46 ARG HA H 1 4.36 0.02 . 1 . . . . . 46 ARG HA . 27518 1 472 . 1 1 46 46 ARG HB2 H 1 1.67 0.02 . 1 . . . . . 46 ARG HB2 . 27518 1 473 . 1 1 46 46 ARG HB3 H 1 1.67 0.02 . 1 . . . . . 46 ARG HB3 . 27518 1 474 . 1 1 46 46 ARG HG2 H 1 1.56 0.02 . 1 . . . . . 46 ARG HG2 . 27518 1 475 . 1 1 46 46 ARG HG3 H 1 1.56 0.02 . 1 . . . . . 46 ARG HG3 . 27518 1 476 . 1 1 46 46 ARG HD2 H 1 2.82 0.02 . 1 . . . . . 46 ARG HD2 . 27518 1 477 . 1 1 46 46 ARG HD3 H 1 2.82 0.02 . 1 . . . . . 46 ARG HD3 . 27518 1 478 . 1 1 46 46 ARG C C 13 175.5 0.2 . 1 . . . . . 46 ARG C . 27518 1 479 . 1 1 46 46 ARG CA C 13 57.4 0.2 . 1 . . . . . 46 ARG CA . 27518 1 480 . 1 1 46 46 ARG CB C 13 30.7 0.2 . 1 . . . . . 46 ARG CB . 27518 1 481 . 1 1 46 46 ARG CG C 13 27.5 0.2 . 1 . . . . . 46 ARG CG . 27518 1 482 . 1 1 46 46 ARG CD C 13 43.5 0.2 . 1 . . . . . 46 ARG CD . 27518 1 483 . 1 1 46 46 ARG N N 15 123.3 0.2 . 1 . . . . . 46 ARG N . 27518 1 484 . 1 1 47 47 GLU H H 1 9.61 0.02 . 1 . . . . . 47 GLU H . 27518 1 485 . 1 1 47 47 GLU HA H 1 5.01 0.02 . 1 . . . . . 47 GLU HA . 27518 1 486 . 1 1 47 47 GLU HB2 H 1 2.04 0.02 . 1 . . . . . 47 GLU HB2 . 27518 1 487 . 1 1 47 47 GLU HB3 H 1 2.04 0.02 . 1 . . . . . 47 GLU HB3 . 27518 1 488 . 1 1 47 47 GLU HG2 H 1 2.32 0.02 . 1 . . . . . 47 GLU HG2 . 27518 1 489 . 1 1 47 47 GLU HG3 H 1 2.25 0.02 . 1 . . . . . 47 GLU HG3 . 27518 1 490 . 1 1 47 47 GLU C C 13 175.3 0.2 . 1 . . . . . 47 GLU C . 27518 1 491 . 1 1 47 47 GLU CA C 13 54.1 0.2 . 1 . . . . . 47 GLU CA . 27518 1 492 . 1 1 47 47 GLU CB C 13 33.7 0.2 . 1 . . . . . 47 GLU CB . 27518 1 493 . 1 1 47 47 GLU CG C 13 35.7 0.2 . 1 . . . . . 47 GLU CG . 27518 1 494 . 1 1 47 47 GLU N N 15 125.2 0.2 . 1 . . . . . 47 GLU N . 27518 1 495 . 1 1 48 48 PHE H H 1 8.85 0.02 . 1 . . . . . 48 PHE H . 27518 1 496 . 1 1 48 48 PHE HA H 1 3.87 0.02 . 1 . . . . . 48 PHE HA . 27518 1 497 . 1 1 48 48 PHE HB2 H 1 3.03 0.02 . 1 . . . . . 48 PHE HB2 . 27518 1 498 . 1 1 48 48 PHE HB3 H 1 2.73 0.02 . 1 . . . . . 48 PHE HB3 . 27518 1 499 . 1 1 48 48 PHE HD1 H 1 6.61 0.02 . 1 . . . . . 48 PHE HD1 . 27518 1 500 . 1 1 48 48 PHE HD2 H 1 6.61 0.02 . 1 . . . . . 48 PHE HD2 . 27518 1 501 . 1 1 48 48 PHE HE1 H 1 6.58 0.02 . 1 . . . . . 48 PHE HE1 . 27518 1 502 . 1 1 48 48 PHE HE2 H 1 6.58 0.02 . 1 . . . . . 48 PHE HE2 . 27518 1 503 . 1 1 48 48 PHE C C 13 173.9 0.2 . 1 . . . . . 48 PHE C . 27518 1 504 . 1 1 48 48 PHE CA C 13 58.9 0.2 . 1 . . . . . 48 PHE CA . 27518 1 505 . 1 1 48 48 PHE CB C 13 39.5 0.2 . 1 . . . . . 48 PHE CB . 27518 1 506 . 1 1 48 48 PHE CD1 C 13 131.4 0.2 . 1 . . . . . 48 PHE CD1 . 27518 1 507 . 1 1 48 48 PHE CD2 C 13 131.4 0.2 . 1 . . . . . 48 PHE CD2 . 27518 1 508 . 1 1 48 48 PHE CE1 C 13 130.8 0.2 . 1 . . . . . 48 PHE CE1 . 27518 1 509 . 1 1 48 48 PHE CE2 C 13 130.8 0.2 . 1 . . . . . 48 PHE CE2 . 27518 1 510 . 1 1 48 48 PHE N N 15 125.4 0.2 . 1 . . . . . 48 PHE N . 27518 1 511 . 1 1 49 49 VAL H H 1 7.58 0.02 . 1 . . . . . 49 VAL H . 27518 1 512 . 1 1 49 49 VAL HA H 1 3.84 0.02 . 1 . . . . . 49 VAL HA . 27518 1 513 . 1 1 49 49 VAL HB H 1 1.82 0.02 . 1 . . . . . 49 VAL HB . 27518 1 514 . 1 1 49 49 VAL HG11 H 1 0.98 0.02 . 1 . . . . . 49 VAL HG1 . 27518 1 515 . 1 1 49 49 VAL HG12 H 1 0.98 0.02 . 1 . . . . . 49 VAL HG1 . 27518 1 516 . 1 1 49 49 VAL HG13 H 1 0.98 0.02 . 1 . . . . . 49 VAL HG1 . 27518 1 517 . 1 1 49 49 VAL HG21 H 1 0.8 0.02 . 1 . . . . . 49 VAL HG2 . 27518 1 518 . 1 1 49 49 VAL HG22 H 1 0.8 0.02 . 1 . . . . . 49 VAL HG2 . 27518 1 519 . 1 1 49 49 VAL HG23 H 1 0.8 0.02 . 1 . . . . . 49 VAL HG2 . 27518 1 520 . 1 1 49 49 VAL C C 13 172.7 0.2 . 1 . . . . . 49 VAL C . 27518 1 521 . 1 1 49 49 VAL CA C 13 63.7 0.2 . 1 . . . . . 49 VAL CA . 27518 1 522 . 1 1 49 49 VAL CB C 13 33.4 0.2 . 1 . . . . . 49 VAL CB . 27518 1 523 . 1 1 49 49 VAL CG1 C 13 22.8 0.2 . 1 . . . . . 49 VAL CG1 . 27518 1 524 . 1 1 49 49 VAL CG2 C 13 21.1 0.2 . 1 . . . . . 49 VAL CG2 . 27518 1 525 . 1 1 49 49 VAL N N 15 123.6 0.2 . 1 . . . . . 49 VAL N . 27518 1 526 . 1 1 50 50 ALA H H 1 6.97 0.02 . 1 . . . . . 50 ALA H . 27518 1 527 . 1 1 50 50 ALA HA H 1 4.79 0.02 . 1 . . . . . 50 ALA HA . 27518 1 528 . 1 1 50 50 ALA HB1 H 1 1.17 0.02 . 1 . . . . . 50 ALA HB . 27518 1 529 . 1 1 50 50 ALA HB2 H 1 1.17 0.02 . 1 . . . . . 50 ALA HB . 27518 1 530 . 1 1 50 50 ALA HB3 H 1 1.17 0.02 . 1 . . . . . 50 ALA HB . 27518 1 531 . 1 1 50 50 ALA C C 13 174.4 0.2 . 1 . . . . . 50 ALA C . 27518 1 532 . 1 1 50 50 ALA CA C 13 51.5 0.2 . 1 . . . . . 50 ALA CA . 27518 1 533 . 1 1 50 50 ALA CB C 13 23.5 0.2 . 1 . . . . . 50 ALA CB . 27518 1 534 . 1 1 50 50 ALA N N 15 116.4 0.2 . 1 . . . . . 50 ALA N . 27518 1 535 . 1 1 51 51 VAL H H 1 8.68 0.02 . 1 . . . . . 51 VAL H . 27518 1 536 . 1 1 51 51 VAL HA H 1 5.14 0.02 . 1 . . . . . 51 VAL HA . 27518 1 537 . 1 1 51 51 VAL HB H 1 1.65 0.02 . 1 . . . . . 51 VAL HB . 27518 1 538 . 1 1 51 51 VAL HG11 H 1 0.32 0.02 . 1 . . . . . 51 VAL HG1 . 27518 1 539 . 1 1 51 51 VAL HG12 H 1 0.32 0.02 . 1 . . . . . 51 VAL HG1 . 27518 1 540 . 1 1 51 51 VAL HG13 H 1 0.32 0.02 . 1 . . . . . 51 VAL HG1 . 27518 1 541 . 1 1 51 51 VAL HG21 H 1 0.09 0.02 . 1 . . . . . 51 VAL HG2 . 27518 1 542 . 1 1 51 51 VAL HG22 H 1 0.09 0.02 . 1 . . . . . 51 VAL HG2 . 27518 1 543 . 1 1 51 51 VAL HG23 H 1 0.09 0.02 . 1 . . . . . 51 VAL HG2 . 27518 1 544 . 1 1 51 51 VAL C C 13 170.6 0.2 . 1 . . . . . 51 VAL C . 27518 1 545 . 1 1 51 51 VAL CA C 13 60 0.2 . 1 . . . . . 51 VAL CA . 27518 1 546 . 1 1 51 51 VAL CB C 13 35.4 0.2 . 1 . . . . . 51 VAL CB . 27518 1 547 . 1 1 51 51 VAL CG1 C 13 21.2 0.2 . 1 . . . . . 51 VAL CG1 . 27518 1 548 . 1 1 51 51 VAL CG2 C 13 19.6 0.2 . 1 . . . . . 51 VAL CG2 . 27518 1 549 . 1 1 51 51 VAL N N 15 118.4 0.2 . 1 . . . . . 51 VAL N . 27518 1 550 . 1 1 52 52 VAL H H 1 8.87 0.02 . 1 . . . . . 52 VAL H . 27518 1 551 . 1 1 52 52 VAL HA H 1 5.44 0.02 . 1 . . . . . 52 VAL HA . 27518 1 552 . 1 1 52 52 VAL HB H 1 1.97 0.02 . 1 . . . . . 52 VAL HB . 27518 1 553 . 1 1 52 52 VAL HG11 H 1 1.3 0.02 . 1 . . . . . 52 VAL HG1 . 27518 1 554 . 1 1 52 52 VAL HG12 H 1 1.3 0.02 . 1 . . . . . 52 VAL HG1 . 27518 1 555 . 1 1 52 52 VAL HG13 H 1 1.3 0.02 . 1 . . . . . 52 VAL HG1 . 27518 1 556 . 1 1 52 52 VAL HG21 H 1 1.12 0.02 . 1 . . . . . 52 VAL HG2 . 27518 1 557 . 1 1 52 52 VAL HG22 H 1 1.12 0.02 . 1 . . . . . 52 VAL HG2 . 27518 1 558 . 1 1 52 52 VAL HG23 H 1 1.12 0.02 . 1 . . . . . 52 VAL HG2 . 27518 1 559 . 1 1 52 52 VAL C C 13 172.9 0.2 . 1 . . . . . 52 VAL C . 27518 1 560 . 1 1 52 52 VAL CA C 13 57.6 0.2 . 1 . . . . . 52 VAL CA . 27518 1 561 . 1 1 52 52 VAL CB C 13 35.2 0.2 . 1 . . . . . 52 VAL CB . 27518 1 562 . 1 1 52 52 VAL CG1 C 13 22.5 0.2 . 1 . . . . . 52 VAL CG1 . 27518 1 563 . 1 1 52 52 VAL CG2 C 13 19.9 0.2 . 1 . . . . . 52 VAL CG2 . 27518 1 564 . 1 1 52 52 VAL N N 15 124.3 0.2 . 1 . . . . . 52 VAL N . 27518 1 565 . 1 1 53 53 ASN H H 1 8.72 0.02 . 1 . . . . . 53 ASN H . 27518 1 566 . 1 1 53 53 ASN HA H 1 4.86 0.02 . 1 . . . . . 53 ASN HA . 27518 1 567 . 1 1 53 53 ASN HB2 H 1 3.57 0.02 . 1 . . . . . 53 ASN HB2 . 27518 1 568 . 1 1 53 53 ASN HB3 H 1 2.86 0.02 . 1 . . . . . 53 ASN HB3 . 27518 1 569 . 1 1 53 53 ASN C C 13 176.9 0.2 . 1 . . . . . 53 ASN C . 27518 1 570 . 1 1 53 53 ASN CA C 13 52.8 0.2 . 1 . . . . . 53 ASN CA . 27518 1 571 . 1 1 53 53 ASN CB C 13 38.9 0.2 . 1 . . . . . 53 ASN CB . 27518 1 572 . 1 1 53 53 ASN N N 15 125.8 0.2 . 1 . . . . . 53 ASN N . 27518 1 573 . 1 1 54 54 TRP H H 1 9.07 0.02 . 1 . . . . . 54 TRP H . 27518 1 574 . 1 1 54 54 TRP HA H 1 3.96 0.02 . 1 . . . . . 54 TRP HA . 27518 1 575 . 1 1 54 54 TRP HB2 H 1 3.85 0.02 . 1 . . . . . 54 TRP HB2 . 27518 1 576 . 1 1 54 54 TRP HB3 H 1 2.71 0.02 . 1 . . . . . 54 TRP HB3 . 27518 1 577 . 1 1 54 54 TRP HE1 H 1 10.22 0.02 . 1 . . . . . 54 TRP HE1 . 27518 1 578 . 1 1 54 54 TRP HZ2 H 1 7.51 0.02 . 1 . . . . . 54 TRP HZ2 . 27518 1 579 . 1 1 54 54 TRP HH2 H 1 7.22 0.02 . 1 . . . . . 54 TRP HH2 . 27518 1 580 . 1 1 54 54 TRP C C 13 174.8 0.2 . 1 . . . . . 54 TRP C . 27518 1 581 . 1 1 54 54 TRP CA C 13 59.8 0.2 . 1 . . . . . 54 TRP CA . 27518 1 582 . 1 1 54 54 TRP CB C 13 26.7 0.2 . 1 . . . . . 54 TRP CB . 27518 1 583 . 1 1 54 54 TRP CD1 C 13 127.8 0.2 . 1 . . . . . 54 TRP CD1 . 27518 1 584 . 1 1 54 54 TRP CZ2 C 13 114.8 0.2 . 1 . . . . . 54 TRP CZ2 . 27518 1 585 . 1 1 54 54 TRP CH2 C 13 125 0.2 . 1 . . . . . 54 TRP CH2 . 27518 1 586 . 1 1 54 54 TRP N N 15 121.4 0.2 . 1 . . . . . 54 TRP N . 27518 1 587 . 1 1 54 54 TRP NE1 N 15 129.7 0.2 . 1 . . . . . 54 TRP NE1 . 27518 1 588 . 1 1 55 55 SER H H 1 5.28 0.02 . 1 . . . . . 55 SER H . 27518 1 589 . 1 1 55 55 SER HA H 1 3.51 0.02 . 1 . . . . . 55 SER HA . 27518 1 590 . 1 1 55 55 SER HB2 H 1 3.26 0.02 . 1 . . . . . 55 SER HB2 . 27518 1 591 . 1 1 55 55 SER HB3 H 1 1.12 0.02 . 1 . . . . . 55 SER HB3 . 27518 1 592 . 1 1 55 55 SER C C 13 176 0.2 . 1 . . . . . 55 SER C . 27518 1 593 . 1 1 55 55 SER CA C 13 57.7 0.2 . 1 . . . . . 55 SER CA . 27518 1 594 . 1 1 55 55 SER CB C 13 63.5 0.2 . 1 . . . . . 55 SER CB . 27518 1 595 . 1 1 55 55 SER N N 15 109.8 0.2 . 1 . . . . . 55 SER N . 27518 1 596 . 1 1 56 56 GLY H H 1 7.48 0.02 . 1 . . . . . 56 GLY H . 27518 1 597 . 1 1 56 56 GLY HA2 H 1 4.36 0.02 . 1 . . . . . 56 GLY HA2 . 27518 1 598 . 1 1 56 56 GLY HA3 H 1 3.46 0.02 . 1 . . . . . 56 GLY HA3 . 27518 1 599 . 1 1 56 56 GLY C C 13 173.3 0.2 . 1 . . . . . 56 GLY C . 27518 1 600 . 1 1 56 56 GLY CA C 13 44.8 0.2 . 1 . . . . . 56 GLY CA . 27518 1 601 . 1 1 56 56 GLY N N 15 109.7 0.2 . 1 . . . . . 56 GLY N . 27518 1 602 . 1 1 57 57 ARG H H 1 7.56 0.02 . 1 . . . . . 57 ARG H . 27518 1 603 . 1 1 57 57 ARG HA H 1 4.2 0.02 . 1 . . . . . 57 ARG HA . 27518 1 604 . 1 1 57 57 ARG HB2 H 1 1.88 0.02 . 1 . . . . . 57 ARG HB2 . 27518 1 605 . 1 1 57 57 ARG HB3 H 1 1.48 0.02 . 1 . . . . . 57 ARG HB3 . 27518 1 606 . 1 1 57 57 ARG HG2 H 1 1.53 0.02 . 1 . . . . . 57 ARG HG2 . 27518 1 607 . 1 1 57 57 ARG HG3 H 1 1.46 0.02 . 1 . . . . . 57 ARG HG3 . 27518 1 608 . 1 1 57 57 ARG HD2 H 1 3.09 0.02 . 1 . . . . . 57 ARG HD2 . 27518 1 609 . 1 1 57 57 ARG HD3 H 1 3.09 0.02 . 1 . . . . . 57 ARG HD3 . 27518 1 610 . 1 1 57 57 ARG C C 13 175.7 0.2 . 1 . . . . . 57 ARG C . 27518 1 611 . 1 1 57 57 ARG CA C 13 57.2 0.2 . 1 . . . . . 57 ARG CA . 27518 1 612 . 1 1 57 57 ARG CB C 13 31.7 0.2 . 1 . . . . . 57 ARG CB . 27518 1 613 . 1 1 57 57 ARG CG C 13 27.6 0.2 . 1 . . . . . 57 ARG CG . 27518 1 614 . 1 1 57 57 ARG CD C 13 42.9 0.2 . 1 . . . . . 57 ARG CD . 27518 1 615 . 1 1 57 57 ARG N N 15 118 0.2 . 1 . . . . . 57 ARG N . 27518 1 616 . 1 1 58 58 ARG H H 1 7.78 0.02 . 1 . . . . . 58 ARG H . 27518 1 617 . 1 1 58 58 ARG HA H 1 4.83 0.02 . 1 . . . . . 58 ARG HA . 27518 1 618 . 1 1 58 58 ARG HB2 H 1 1.62 0.02 . 1 . . . . . 58 ARG HB2 . 27518 1 619 . 1 1 58 58 ARG HB3 H 1 1.31 0.02 . 1 . . . . . 58 ARG HB3 . 27518 1 620 . 1 1 58 58 ARG HG2 H 1 1.46 0.02 . 1 . . . . . 58 ARG HG2 . 27518 1 621 . 1 1 58 58 ARG HG3 H 1 1.46 0.02 . 1 . . . . . 58 ARG HG3 . 27518 1 622 . 1 1 58 58 ARG HD2 H 1 2.84 0.02 . 1 . . . . . 58 ARG HD2 . 27518 1 623 . 1 1 58 58 ARG HD3 H 1 2.84 0.02 . 1 . . . . . 58 ARG HD3 . 27518 1 624 . 1 1 58 58 ARG C C 13 174.4 0.2 . 1 . . . . . 58 ARG C . 27518 1 625 . 1 1 58 58 ARG CA C 13 54.8 0.2 . 1 . . . . . 58 ARG CA . 27518 1 626 . 1 1 58 58 ARG CB C 13 32.9 0.2 . 1 . . . . . 58 ARG CB . 27518 1 627 . 1 1 58 58 ARG CG C 13 27.1 0.2 . 1 . . . . . 58 ARG CG . 27518 1 628 . 1 1 58 58 ARG CD C 13 43.3 0.2 . 1 . . . . . 58 ARG CD . 27518 1 629 . 1 1 58 58 ARG N N 15 118.3 0.2 . 1 . . . . . 58 ARG N . 27518 1 630 . 1 1 59 59 THR H H 1 8.27 0.02 . 1 . . . . . 59 THR H . 27518 1 631 . 1 1 59 59 THR HA H 1 4.78 0.02 . 1 . . . . . 59 THR HA . 27518 1 632 . 1 1 59 59 THR HB H 1 3.8 0.02 . 1 . . . . . 59 THR HB . 27518 1 633 . 1 1 59 59 THR HG21 H 1 1.16 0.02 . 1 . . . . . 59 THR HG2 . 27518 1 634 . 1 1 59 59 THR HG22 H 1 1.16 0.02 . 1 . . . . . 59 THR HG2 . 27518 1 635 . 1 1 59 59 THR HG23 H 1 1.16 0.02 . 1 . . . . . 59 THR HG2 . 27518 1 636 . 1 1 59 59 THR C C 13 173.6 0.2 . 1 . . . . . 59 THR C . 27518 1 637 . 1 1 59 59 THR CA C 13 58.9 0.2 . 1 . . . . . 59 THR CA . 27518 1 638 . 1 1 59 59 THR CB C 13 73.5 0.2 . 1 . . . . . 59 THR CB . 27518 1 639 . 1 1 59 59 THR CG2 C 13 22.9 0.2 . 1 . . . . . 59 THR CG2 . 27518 1 640 . 1 1 59 59 THR N N 15 112.7 0.2 . 1 . . . . . 59 THR N . 27518 1 641 . 1 1 60 60 TYR H H 1 8.1 0.02 . 1 . . . . . 60 TYR H . 27518 1 642 . 1 1 60 60 TYR HA H 1 4.76 0.02 . 1 . . . . . 60 TYR HA . 27518 1 643 . 1 1 60 60 TYR HB2 H 1 2.47 0.02 . 1 . . . . . 60 TYR HB2 . 27518 1 644 . 1 1 60 60 TYR HB3 H 1 2.47 0.02 . 1 . . . . . 60 TYR HB3 . 27518 1 645 . 1 1 60 60 TYR HD1 H 1 6.94 0.02 . 1 . . . . . 60 TYR HD1 . 27518 1 646 . 1 1 60 60 TYR HD2 H 1 6.94 0.02 . 1 . . . . . 60 TYR HD2 . 27518 1 647 . 1 1 60 60 TYR HE1 H 1 6.66 0.02 . 1 . . . . . 60 TYR HE1 . 27518 1 648 . 1 1 60 60 TYR HE2 H 1 6.66 0.02 . 1 . . . . . 60 TYR HE2 . 27518 1 649 . 1 1 60 60 TYR C C 13 172.7 0.2 . 1 . . . . . 60 TYR C . 27518 1 650 . 1 1 60 60 TYR CA C 13 58 0.2 . 1 . . . . . 60 TYR CA . 27518 1 651 . 1 1 60 60 TYR CB C 13 41.8 0.2 . 1 . . . . . 60 TYR CB . 27518 1 652 . 1 1 60 60 TYR CD1 C 13 133.3 0.2 . 1 . . . . . 60 TYR CD1 . 27518 1 653 . 1 1 60 60 TYR CD2 C 13 133.3 0.2 . 1 . . . . . 60 TYR CD2 . 27518 1 654 . 1 1 60 60 TYR CE1 C 13 118.4 0.2 . 1 . . . . . 60 TYR CE1 . 27518 1 655 . 1 1 60 60 TYR CE2 C 13 118.4 0.2 . 1 . . . . . 60 TYR CE2 . 27518 1 656 . 1 1 60 60 TYR N N 15 119.9 0.2 . 1 . . . . . 60 TYR N . 27518 1 657 . 1 1 61 61 TYR H H 1 7.91 0.02 . 1 . . . . . 61 TYR H . 27518 1 658 . 1 1 61 61 TYR HA H 1 4.73 0.02 . 1 . . . . . 61 TYR HA . 27518 1 659 . 1 1 61 61 TYR HB2 H 1 2.86 0.02 . 1 . . . . . 61 TYR HB2 . 27518 1 660 . 1 1 61 61 TYR HB3 H 1 2.39 0.02 . 1 . . . . . 61 TYR HB3 . 27518 1 661 . 1 1 61 61 TYR HD1 H 1 6.99 0.02 . 1 . . . . . 61 TYR HD1 . 27518 1 662 . 1 1 61 61 TYR HD2 H 1 6.99 0.02 . 1 . . . . . 61 TYR HD2 . 27518 1 663 . 1 1 61 61 TYR HE1 H 1 6.67 0.02 . 1 . . . . . 61 TYR HE1 . 27518 1 664 . 1 1 61 61 TYR HE2 H 1 6.67 0.02 . 1 . . . . . 61 TYR HE2 . 27518 1 665 . 1 1 61 61 TYR C C 13 174.4 0.2 . 1 . . . . . 61 TYR C . 27518 1 666 . 1 1 61 61 TYR CA C 13 57 0.2 . 1 . . . . . 61 TYR CA . 27518 1 667 . 1 1 61 61 TYR CB C 13 42.7 0.2 . 1 . . . . . 61 TYR CB . 27518 1 668 . 1 1 61 61 TYR CD1 C 13 133.2 0.2 . 1 . . . . . 61 TYR CD1 . 27518 1 669 . 1 1 61 61 TYR CD2 C 13 133.2 0.2 . 1 . . . . . 61 TYR CD2 . 27518 1 670 . 1 1 61 61 TYR CE1 C 13 117.9 0.2 . 1 . . . . . 61 TYR CE1 . 27518 1 671 . 1 1 61 61 TYR CE2 C 13 117.9 0.2 . 1 . . . . . 61 TYR CE2 . 27518 1 672 . 1 1 61 61 TYR N N 15 121.8 0.2 . 1 . . . . . 61 TYR N . 27518 1 673 . 1 1 62 62 ALA H H 1 7.94 0.02 . 1 . . . . . 62 ALA H . 27518 1 674 . 1 1 62 62 ALA HA H 1 4.34 0.02 . 1 . . . . . 62 ALA HA . 27518 1 675 . 1 1 62 62 ALA HB1 H 1 1.5 0.02 . 1 . . . . . 62 ALA HB . 27518 1 676 . 1 1 62 62 ALA HB2 H 1 1.5 0.02 . 1 . . . . . 62 ALA HB . 27518 1 677 . 1 1 62 62 ALA HB3 H 1 1.5 0.02 . 1 . . . . . 62 ALA HB . 27518 1 678 . 1 1 62 62 ALA C C 13 179.1 0.2 . 1 . . . . . 62 ALA C . 27518 1 679 . 1 1 62 62 ALA CA C 13 52 0.2 . 1 . . . . . 62 ALA CA . 27518 1 680 . 1 1 62 62 ALA CB C 13 19.6 0.2 . 1 . . . . . 62 ALA CB . 27518 1 681 . 1 1 62 62 ALA N N 15 123.3 0.2 . 1 . . . . . 62 ALA N . 27518 1 682 . 1 1 63 63 ASP H H 1 8.94 0.02 . 1 . . . . . 63 ASP H . 27518 1 683 . 1 1 63 63 ASP HA H 1 4.25 0.02 . 1 . . . . . 63 ASP HA . 27518 1 684 . 1 1 63 63 ASP HB2 H 1 2.67 0.02 . 1 . . . . . 63 ASP HB2 . 27518 1 685 . 1 1 63 63 ASP HB3 H 1 2.37 0.02 . 1 . . . . . 63 ASP HB3 . 27518 1 686 . 1 1 63 63 ASP C C 13 178.3 0.2 . 1 . . . . . 63 ASP C . 27518 1 687 . 1 1 63 63 ASP CA C 13 58 0.2 . 1 . . . . . 63 ASP CA . 27518 1 688 . 1 1 63 63 ASP CB C 13 40.5 0.2 . 1 . . . . . 63 ASP CB . 27518 1 689 . 1 1 63 63 ASP N N 15 122.6 0.2 . 1 . . . . . 63 ASP N . 27518 1 690 . 1 1 64 64 SER HA H 1 4.14 0.02 . 1 . . . . . 64 SER HA . 27518 1 691 . 1 1 64 64 SER HB2 H 1 3.86 0.02 . 1 . . . . . 64 SER HB2 . 27518 1 692 . 1 1 64 64 SER HB3 H 1 3.77 0.02 . 1 . . . . . 64 SER HB3 . 27518 1 693 . 1 1 64 64 SER C C 13 175.7 0.2 . 1 . . . . . 64 SER C . 27518 1 694 . 1 1 64 64 SER CA C 13 59.8 0.2 . 1 . . . . . 64 SER CA . 27518 1 695 . 1 1 64 64 SER CB C 13 62.8 0.2 . 1 . . . . . 64 SER CB . 27518 1 696 . 1 1 65 65 VAL H H 1 7.2 0.02 . 1 . . . . . 65 VAL H . 27518 1 697 . 1 1 65 65 VAL HA H 1 4.06 0.02 . 1 . . . . . 65 VAL HA . 27518 1 698 . 1 1 65 65 VAL HB H 1 1.03 0.02 . 1 . . . . . 65 VAL HB . 27518 1 699 . 1 1 65 65 VAL HG11 H 1 0.19 0.02 . 1 . . . . . 65 VAL HG1 . 27518 1 700 . 1 1 65 65 VAL HG12 H 1 0.19 0.02 . 1 . . . . . 65 VAL HG1 . 27518 1 701 . 1 1 65 65 VAL HG13 H 1 0.19 0.02 . 1 . . . . . 65 VAL HG1 . 27518 1 702 . 1 1 65 65 VAL HG21 H 1 0.84 0.02 . 1 . . . . . 65 VAL HG2 . 27518 1 703 . 1 1 65 65 VAL HG22 H 1 0.84 0.02 . 1 . . . . . 65 VAL HG2 . 27518 1 704 . 1 1 65 65 VAL HG23 H 1 0.84 0.02 . 1 . . . . . 65 VAL HG2 . 27518 1 705 . 1 1 65 65 VAL C C 13 175.1 0.2 . 1 . . . . . 65 VAL C . 27518 1 706 . 1 1 65 65 VAL CA C 13 60.4 0.2 . 1 . . . . . 65 VAL CA . 27518 1 707 . 1 1 65 65 VAL CB C 13 31.8 0.2 . 1 . . . . . 65 VAL CB . 27518 1 708 . 1 1 65 65 VAL CG1 C 13 20.4 0.2 . 1 . . . . . 65 VAL CG1 . 27518 1 709 . 1 1 65 65 VAL CG2 C 13 19.2 0.2 . 1 . . . . . 65 VAL CG2 . 27518 1 710 . 1 1 65 65 VAL N N 15 111.4 0.2 . 1 . . . . . 65 VAL N . 27518 1 711 . 1 1 66 66 LYS H H 1 7.29 0.02 . 1 . . . . . 66 LYS H . 27518 1 712 . 1 1 66 66 LYS HA H 1 3.62 0.02 . 1 . . . . . 66 LYS HA . 27518 1 713 . 1 1 66 66 LYS HB2 H 1 1.76 0.02 . 1 . . . . . 66 LYS HB2 . 27518 1 714 . 1 1 66 66 LYS HB3 H 1 1.76 0.02 . 1 . . . . . 66 LYS HB3 . 27518 1 715 . 1 1 66 66 LYS HG2 H 1 1.37 0.02 . 1 . . . . . 66 LYS HG2 . 27518 1 716 . 1 1 66 66 LYS HG3 H 1 1.37 0.02 . 1 . . . . . 66 LYS HG3 . 27518 1 717 . 1 1 66 66 LYS HD2 H 1 1.74 0.02 . 1 . . . . . 66 LYS HD2 . 27518 1 718 . 1 1 66 66 LYS HD3 H 1 1.74 0.02 . 1 . . . . . 66 LYS HD3 . 27518 1 719 . 1 1 66 66 LYS HE2 H 1 3.01 0.02 . 1 . . . . . 66 LYS HE2 . 27518 1 720 . 1 1 66 66 LYS HE3 H 1 3.01 0.02 . 1 . . . . . 66 LYS HE3 . 27518 1 721 . 1 1 66 66 LYS C C 13 177.2 0.2 . 1 . . . . . 66 LYS C . 27518 1 722 . 1 1 66 66 LYS CA C 13 58.4 0.2 . 1 . . . . . 66 LYS CA . 27518 1 723 . 1 1 66 66 LYS CB C 13 32.5 0.2 . 1 . . . . . 66 LYS CB . 27518 1 724 . 1 1 66 66 LYS CG C 13 24.9 0.2 . 1 . . . . . 66 LYS CG . 27518 1 725 . 1 1 66 66 LYS CD C 13 29.7 0.2 . 1 . . . . . 66 LYS CD . 27518 1 726 . 1 1 66 66 LYS CE C 13 42.2 0.2 . 1 . . . . . 66 LYS CE . 27518 1 727 . 1 1 66 66 LYS N N 15 125.5 0.2 . 1 . . . . . 66 LYS N . 27518 1 728 . 1 1 67 67 GLY H H 1 9.13 0.02 . 1 . . . . . 67 GLY H . 27518 1 729 . 1 1 67 67 GLY HA2 H 1 4.25 0.02 . 1 . . . . . 67 GLY HA2 . 27518 1 730 . 1 1 67 67 GLY HA3 H 1 3.5 0.02 . 1 . . . . . 67 GLY HA3 . 27518 1 731 . 1 1 67 67 GLY C C 13 173.9 0.2 . 1 . . . . . 67 GLY C . 27518 1 732 . 1 1 67 67 GLY CA C 13 45.3 0.2 . 1 . . . . . 67 GLY CA . 27518 1 733 . 1 1 67 67 GLY N N 15 115.9 0.2 . 1 . . . . . 67 GLY N . 27518 1 734 . 1 1 68 68 ARG H H 1 7.7 0.02 . 1 . . . . . 68 ARG H . 27518 1 735 . 1 1 68 68 ARG HA H 1 4.57 0.02 . 1 . . . . . 68 ARG HA . 27518 1 736 . 1 1 68 68 ARG HB2 H 1 2.11 0.02 . 1 . . . . . 68 ARG HB2 . 27518 1 737 . 1 1 68 68 ARG HB3 H 1 1.63 0.02 . 1 . . . . . 68 ARG HB3 . 27518 1 738 . 1 1 68 68 ARG HG2 H 1 1.45 0.02 . 1 . . . . . 68 ARG HG2 . 27518 1 739 . 1 1 68 68 ARG HG3 H 1 1.35 0.02 . 1 . . . . . 68 ARG HG3 . 27518 1 740 . 1 1 68 68 ARG HD2 H 1 3.26 0.02 . 1 . . . . . 68 ARG HD2 . 27518 1 741 . 1 1 68 68 ARG HD3 H 1 3.26 0.02 . 1 . . . . . 68 ARG HD3 . 27518 1 742 . 1 1 68 68 ARG HE H 1 6.75 0.02 . 1 . . . . . 68 ARG HE . 27518 1 743 . 1 1 68 68 ARG C C 13 175.5 0.2 . 1 . . . . . 68 ARG C . 27518 1 744 . 1 1 68 68 ARG CA C 13 57.3 0.2 . 1 . . . . . 68 ARG CA . 27518 1 745 . 1 1 68 68 ARG CB C 13 31 0.2 . 1 . . . . . 68 ARG CB . 27518 1 746 . 1 1 68 68 ARG CG C 13 28.5 0.2 . 1 . . . . . 68 ARG CG . 27518 1 747 . 1 1 68 68 ARG CD C 13 43.3 0.2 . 1 . . . . . 68 ARG CD . 27518 1 748 . 1 1 68 68 ARG N N 15 116.9 0.2 . 1 . . . . . 68 ARG N . 27518 1 749 . 1 1 68 68 ARG NE N 15 81.7 0.2 . 1 . . . . . 68 ARG NE . 27518 1 750 . 1 1 69 69 PHE H H 1 7.48 0.02 . 1 . . . . . 69 PHE H . 27518 1 751 . 1 1 69 69 PHE HA H 1 6.06 0.02 . 1 . . . . . 69 PHE HA . 27518 1 752 . 1 1 69 69 PHE HB2 H 1 2.84 0.02 . 1 . . . . . 69 PHE HB2 . 27518 1 753 . 1 1 69 69 PHE HB3 H 1 2.84 0.02 . 1 . . . . . 69 PHE HB3 . 27518 1 754 . 1 1 69 69 PHE HD1 H 1 6.95 0.02 . 1 . . . . . 69 PHE HD1 . 27518 1 755 . 1 1 69 69 PHE HD2 H 1 6.95 0.02 . 1 . . . . . 69 PHE HD2 . 27518 1 756 . 1 1 69 69 PHE HE1 H 1 7.24 0.02 . 1 . . . . . 69 PHE HE1 . 27518 1 757 . 1 1 69 69 PHE HE2 H 1 7.24 0.02 . 1 . . . . . 69 PHE HE2 . 27518 1 758 . 1 1 69 69 PHE HZ H 1 7.04 0.02 . 1 . . . . . 69 PHE HZ . 27518 1 759 . 1 1 69 69 PHE C C 13 174.6 0.2 . 1 . . . . . 69 PHE C . 27518 1 760 . 1 1 69 69 PHE CA C 13 52.5 0.2 . 1 . . . . . 69 PHE CA . 27518 1 761 . 1 1 69 69 PHE CB C 13 39.6 0.2 . 1 . . . . . 69 PHE CB . 27518 1 762 . 1 1 69 69 PHE CD1 C 13 129.1 0.2 . 1 . . . . . 69 PHE CD1 . 27518 1 763 . 1 1 69 69 PHE CD2 C 13 129.1 0.2 . 1 . . . . . 69 PHE CD2 . 27518 1 764 . 1 1 69 69 PHE CE1 C 13 131.9 0.2 . 1 . . . . . 69 PHE CE1 . 27518 1 765 . 1 1 69 69 PHE CE2 C 13 131.9 0.2 . 1 . . . . . 69 PHE CE2 . 27518 1 766 . 1 1 69 69 PHE CZ C 13 130.4 0.2 . 1 . . . . . 69 PHE CZ . 27518 1 767 . 1 1 69 69 PHE N N 15 119.5 0.2 . 1 . . . . . 69 PHE N . 27518 1 768 . 1 1 70 70 THR H H 1 8.87 0.02 . 1 . . . . . 70 THR H . 27518 1 769 . 1 1 70 70 THR HA H 1 5.08 0.02 . 1 . . . . . 70 THR HA . 27518 1 770 . 1 1 70 70 THR HB H 1 3.82 0.02 . 1 . . . . . 70 THR HB . 27518 1 771 . 1 1 70 70 THR HG21 H 1 1.15 0.02 . 1 . . . . . 70 THR HG2 . 27518 1 772 . 1 1 70 70 THR HG22 H 1 1.15 0.02 . 1 . . . . . 70 THR HG2 . 27518 1 773 . 1 1 70 70 THR HG23 H 1 1.15 0.02 . 1 . . . . . 70 THR HG2 . 27518 1 774 . 1 1 70 70 THR C C 13 173.9 0.2 . 1 . . . . . 70 THR C . 27518 1 775 . 1 1 70 70 THR CA C 13 61.2 0.2 . 1 . . . . . 70 THR CA . 27518 1 776 . 1 1 70 70 THR CB C 13 72.1 0.2 . 1 . . . . . 70 THR CB . 27518 1 777 . 1 1 70 70 THR CG2 C 13 21.7 0.2 . 1 . . . . . 70 THR CG2 . 27518 1 778 . 1 1 70 70 THR N N 15 112.4 0.2 . 1 . . . . . 70 THR N . 27518 1 779 . 1 1 71 71 ILE H H 1 9.39 0.02 . 1 . . . . . 71 ILE H . 27518 1 780 . 1 1 71 71 ILE HA H 1 5.5 0.02 . 1 . . . . . 71 ILE HA . 27518 1 781 . 1 1 71 71 ILE HB H 1 1.51 0.02 . 1 . . . . . 71 ILE HB . 27518 1 782 . 1 1 71 71 ILE HG12 H 1 2.23 0.02 . 1 . . . . . 71 ILE HG12 . 27518 1 783 . 1 1 71 71 ILE HG13 H 1 1.17 0.02 . 1 . . . . . 71 ILE HG13 . 27518 1 784 . 1 1 71 71 ILE HG21 H 1 0.98 0.02 . 1 . . . . . 71 ILE HG2 . 27518 1 785 . 1 1 71 71 ILE HG22 H 1 0.98 0.02 . 1 . . . . . 71 ILE HG2 . 27518 1 786 . 1 1 71 71 ILE HG23 H 1 0.98 0.02 . 1 . . . . . 71 ILE HG2 . 27518 1 787 . 1 1 71 71 ILE HD11 H 1 0.88 0.02 . 1 . . . . . 71 ILE HD1 . 27518 1 788 . 1 1 71 71 ILE HD12 H 1 0.88 0.02 . 1 . . . . . 71 ILE HD1 . 27518 1 789 . 1 1 71 71 ILE HD13 H 1 0.88 0.02 . 1 . . . . . 71 ILE HD1 . 27518 1 790 . 1 1 71 71 ILE C C 13 171.4 0.2 . 1 . . . . . 71 ILE C . 27518 1 791 . 1 1 71 71 ILE CA C 13 58.4 0.2 . 1 . . . . . 71 ILE CA . 27518 1 792 . 1 1 71 71 ILE CB C 13 41.8 0.2 . 1 . . . . . 71 ILE CB . 27518 1 793 . 1 1 71 71 ILE CG1 C 13 28.6 0.2 . 1 . . . . . 71 ILE CG1 . 27518 1 794 . 1 1 71 71 ILE CG2 C 13 16.7 0.2 . 1 . . . . . 71 ILE CG2 . 27518 1 795 . 1 1 71 71 ILE CD1 C 13 15 0.2 . 1 . . . . . 71 ILE CD1 . 27518 1 796 . 1 1 71 71 ILE N N 15 131.4 0.2 . 1 . . . . . 71 ILE N . 27518 1 797 . 1 1 72 72 SER H H 1 8.53 0.02 . 1 . . . . . 72 SER H . 27518 1 798 . 1 1 72 72 SER HA H 1 4.76 0.02 . 1 . . . . . 72 SER HA . 27518 1 799 . 1 1 72 72 SER HB2 H 1 4.03 0.02 . 1 . . . . . 72 SER HB2 . 27518 1 800 . 1 1 72 72 SER HB3 H 1 3.95 0.02 . 1 . . . . . 72 SER HB3 . 27518 1 801 . 1 1 72 72 SER C C 13 171.8 0.2 . 1 . . . . . 72 SER C . 27518 1 802 . 1 1 72 72 SER CA C 13 57.7 0.2 . 1 . . . . . 72 SER CA . 27518 1 803 . 1 1 72 72 SER CB C 13 65.6 0.2 . 1 . . . . . 72 SER CB . 27518 1 804 . 1 1 72 72 SER N N 15 117.8 0.2 . 1 . . . . . 72 SER N . 27518 1 805 . 1 1 73 73 ARG H H 1 9.36 0.02 . 1 . . . . . 73 ARG H . 27518 1 806 . 1 1 73 73 ARG HA H 1 5.46 0.02 . 1 . . . . . 73 ARG HA . 27518 1 807 . 1 1 73 73 ARG HB2 H 1 2.28 0.02 . 1 . . . . . 73 ARG HB2 . 27518 1 808 . 1 1 73 73 ARG HB3 H 1 1.5 0.02 . 1 . . . . . 73 ARG HB3 . 27518 1 809 . 1 1 73 73 ARG HG2 H 1 1.74 0.02 . 1 . . . . . 73 ARG HG2 . 27518 1 810 . 1 1 73 73 ARG HG3 H 1 1.48 0.02 . 1 . . . . . 73 ARG HG3 . 27518 1 811 . 1 1 73 73 ARG HD2 H 1 3.22 0.02 . 1 . . . . . 73 ARG HD2 . 27518 1 812 . 1 1 73 73 ARG HD3 H 1 2.93 0.02 . 1 . . . . . 73 ARG HD3 . 27518 1 813 . 1 1 73 73 ARG HE H 1 8.3 0.02 . 1 . . . . . 73 ARG HE . 27518 1 814 . 1 1 73 73 ARG C C 13 172.8 0.2 . 1 . . . . . 73 ARG C . 27518 1 815 . 1 1 73 73 ARG CA C 13 54.4 0.2 . 1 . . . . . 73 ARG CA . 27518 1 816 . 1 1 73 73 ARG CB C 13 35.6 0.2 . 1 . . . . . 73 ARG CB . 27518 1 817 . 1 1 73 73 ARG CG C 13 24.2 0.2 . 1 . . . . . 73 ARG CG . 27518 1 818 . 1 1 73 73 ARG CD C 13 44.8 0.2 . 1 . . . . . 73 ARG CD . 27518 1 819 . 1 1 73 73 ARG N N 15 116.4 0.2 . 1 . . . . . 73 ARG N . 27518 1 820 . 1 1 74 74 ASP H H 1 9.05 0.02 . 1 . . . . . 74 ASP H . 27518 1 821 . 1 1 74 74 ASP HA H 1 5.02 0.02 . 1 . . . . . 74 ASP HA . 27518 1 822 . 1 1 74 74 ASP HB2 H 1 3.12 0.02 . 1 . . . . . 74 ASP HB2 . 27518 1 823 . 1 1 74 74 ASP HB3 H 1 2.57 0.02 . 1 . . . . . 74 ASP HB3 . 27518 1 824 . 1 1 74 74 ASP C C 13 177.2 0.2 . 1 . . . . . 74 ASP C . 27518 1 825 . 1 1 74 74 ASP CA C 13 52.6 0.2 . 1 . . . . . 74 ASP CA . 27518 1 826 . 1 1 74 74 ASP CB C 13 42.6 0.2 . 1 . . . . . 74 ASP CB . 27518 1 827 . 1 1 74 74 ASP N N 15 120.3 0.2 . 1 . . . . . 74 ASP N . 27518 1 828 . 1 1 75 75 ASN HA H 1 5.06 0.02 . 1 . . . . . 75 ASN HA . 27518 1 829 . 1 1 75 75 ASN HB2 H 1 3.27 0.02 . 1 . . . . . 75 ASN HB2 . 27518 1 830 . 1 1 75 75 ASN HB3 H 1 3.02 0.02 . 1 . . . . . 75 ASN HB3 . 27518 1 831 . 1 1 75 75 ASN HD21 H 1 7.93 0.02 . 1 . . . . . 75 ASN HD21 . 27518 1 832 . 1 1 75 75 ASN HD22 H 1 7.51 0.02 . 1 . . . . . 75 ASN HD22 . 27518 1 833 . 1 1 75 75 ASN C C 13 176.8 0.2 . 1 . . . . . 75 ASN C . 27518 1 834 . 1 1 75 75 ASN CA C 13 55.2 0.2 . 1 . . . . . 75 ASN CA . 27518 1 835 . 1 1 75 75 ASN CB C 13 37.3 0.2 . 1 . . . . . 75 ASN CB . 27518 1 836 . 1 1 75 75 ASN ND2 N 15 108.5 0.2 . 1 . . . . . 75 ASN ND2 . 27518 1 837 . 1 1 76 76 ALA H H 1 8.62 0.02 . 1 . . . . . 76 ALA H . 27518 1 838 . 1 1 76 76 ALA HA H 1 4.48 0.02 . 1 . . . . . 76 ALA HA . 27518 1 839 . 1 1 76 76 ALA HB1 H 1 1.58 0.02 . 1 . . . . . 76 ALA HB . 27518 1 840 . 1 1 76 76 ALA HB2 H 1 1.58 0.02 . 1 . . . . . 76 ALA HB . 27518 1 841 . 1 1 76 76 ALA HB3 H 1 1.58 0.02 . 1 . . . . . 76 ALA HB . 27518 1 842 . 1 1 76 76 ALA C C 13 179 0.2 . 1 . . . . . 76 ALA C . 27518 1 843 . 1 1 76 76 ALA CA C 13 54.2 0.2 . 1 . . . . . 76 ALA CA . 27518 1 844 . 1 1 76 76 ALA CB C 13 18.7 0.2 . 1 . . . . . 76 ALA CB . 27518 1 845 . 1 1 76 76 ALA N N 15 122.5 0.2 . 1 . . . . . 76 ALA N . 27518 1 846 . 1 1 77 77 LYS H H 1 7.29 0.02 . 1 . . . . . 77 LYS H . 27518 1 847 . 1 1 77 77 LYS HA H 1 4.4 0.02 . 1 . . . . . 77 LYS HA . 27518 1 848 . 1 1 77 77 LYS HB2 H 1 2.03 0.02 . 1 . . . . . 77 LYS HB2 . 27518 1 849 . 1 1 77 77 LYS HB3 H 1 1.44 0.02 . 1 . . . . . 77 LYS HB3 . 27518 1 850 . 1 1 77 77 LYS HG2 H 1 1.45 0.02 . 1 . . . . . 77 LYS HG2 . 27518 1 851 . 1 1 77 77 LYS HG3 H 1 1.33 0.02 . 1 . . . . . 77 LYS HG3 . 27518 1 852 . 1 1 77 77 LYS HD2 H 1 1.66 0.02 . 1 . . . . . 77 LYS HD2 . 27518 1 853 . 1 1 77 77 LYS HD3 H 1 1.66 0.02 . 1 . . . . . 77 LYS HD3 . 27518 1 854 . 1 1 77 77 LYS HE2 H 1 3 0.02 . 1 . . . . . 77 LYS HE2 . 27518 1 855 . 1 1 77 77 LYS HE3 H 1 3 0.02 . 1 . . . . . 77 LYS HE3 . 27518 1 856 . 1 1 77 77 LYS C C 13 175.9 0.2 . 1 . . . . . 77 LYS C . 27518 1 857 . 1 1 77 77 LYS CA C 13 55 0.2 . 1 . . . . . 77 LYS CA . 27518 1 858 . 1 1 77 77 LYS CB C 13 33.8 0.2 . 1 . . . . . 77 LYS CB . 27518 1 859 . 1 1 77 77 LYS CG C 13 25.4 0.2 . 1 . . . . . 77 LYS CG . 27518 1 860 . 1 1 77 77 LYS CD C 13 29.1 0.2 . 1 . . . . . 77 LYS CD . 27518 1 861 . 1 1 77 77 LYS CE C 13 42.1 0.2 . 1 . . . . . 77 LYS CE . 27518 1 862 . 1 1 77 77 LYS N N 15 114.9 0.2 . 1 . . . . . 77 LYS N . 27518 1 863 . 1 1 78 78 ASN H H 1 7.82 0.02 . 1 . . . . . 78 ASN H . 27518 1 864 . 1 1 78 78 ASN HA H 1 3.18 0.02 . 1 . . . . . 78 ASN HA . 27518 1 865 . 1 1 78 78 ASN HB2 H 1 2.91 0.02 . 1 . . . . . 78 ASN HB2 . 27518 1 866 . 1 1 78 78 ASN HB3 H 1 2.66 0.02 . 1 . . . . . 78 ASN HB3 . 27518 1 867 . 1 1 78 78 ASN HD21 H 1 7 0.02 . 1 . . . . . 78 ASN HD21 . 27518 1 868 . 1 1 78 78 ASN HD22 H 1 6.56 0.02 . 1 . . . . . 78 ASN HD22 . 27518 1 869 . 1 1 78 78 ASN C C 13 172.5 0.2 . 1 . . . . . 78 ASN C . 27518 1 870 . 1 1 78 78 ASN CA C 13 53.7 0.2 . 1 . . . . . 78 ASN CA . 27518 1 871 . 1 1 78 78 ASN CB C 13 36.7 0.2 . 1 . . . . . 78 ASN CB . 27518 1 872 . 1 1 78 78 ASN N N 15 120.3 0.2 . 1 . . . . . 78 ASN N . 27518 1 873 . 1 1 78 78 ASN ND2 N 15 109.9 0.2 . 1 . . . . . 78 ASN ND2 . 27518 1 874 . 1 1 79 79 THR H H 1 7.35 0.02 . 1 . . . . . 79 THR H . 27518 1 875 . 1 1 79 79 THR HA H 1 5.39 0.02 . 1 . . . . . 79 THR HA . 27518 1 876 . 1 1 79 79 THR HB H 1 3.44 0.02 . 1 . . . . . 79 THR HB . 27518 1 877 . 1 1 79 79 THR HG21 H 1 0.66 0.02 . 1 . . . . . 79 THR HG2 . 27518 1 878 . 1 1 79 79 THR HG22 H 1 0.66 0.02 . 1 . . . . . 79 THR HG2 . 27518 1 879 . 1 1 79 79 THR HG23 H 1 0.66 0.02 . 1 . . . . . 79 THR HG2 . 27518 1 880 . 1 1 79 79 THR C C 13 172.5 0.2 . 1 . . . . . 79 THR C . 27518 1 881 . 1 1 79 79 THR CA C 13 60.6 0.2 . 1 . . . . . 79 THR CA . 27518 1 882 . 1 1 79 79 THR CB C 13 73.2 0.2 . 1 . . . . . 79 THR CB . 27518 1 883 . 1 1 79 79 THR CG2 C 13 21.8 0.2 . 1 . . . . . 79 THR CG2 . 27518 1 884 . 1 1 79 79 THR N N 15 107.6 0.2 . 1 . . . . . 79 THR N . 27518 1 885 . 1 1 80 80 VAL H H 1 8.71 0.02 . 1 . . . . . 80 VAL H . 27518 1 886 . 1 1 80 80 VAL HA H 1 4.77 0.02 . 1 . . . . . 80 VAL HA . 27518 1 887 . 1 1 80 80 VAL HB H 1 1.95 0.02 . 1 . . . . . 80 VAL HB . 27518 1 888 . 1 1 80 80 VAL HG11 H 1 1.17 0.02 . 1 . . . . . 80 VAL HG1 . 27518 1 889 . 1 1 80 80 VAL HG12 H 1 1.17 0.02 . 1 . . . . . 80 VAL HG1 . 27518 1 890 . 1 1 80 80 VAL HG13 H 1 1.17 0.02 . 1 . . . . . 80 VAL HG1 . 27518 1 891 . 1 1 80 80 VAL HG21 H 1 1.1 0.02 . 1 . . . . . 80 VAL HG2 . 27518 1 892 . 1 1 80 80 VAL HG22 H 1 1.1 0.02 . 1 . . . . . 80 VAL HG2 . 27518 1 893 . 1 1 80 80 VAL HG23 H 1 1.1 0.02 . 1 . . . . . 80 VAL HG2 . 27518 1 894 . 1 1 80 80 VAL C C 13 172.9 0.2 . 1 . . . . . 80 VAL C . 27518 1 895 . 1 1 80 80 VAL CA C 13 59.6 0.2 . 1 . . . . . 80 VAL CA . 27518 1 896 . 1 1 80 80 VAL CB C 13 35.3 0.2 . 1 . . . . . 80 VAL CB . 27518 1 897 . 1 1 80 80 VAL CG1 C 13 23 0.2 . 1 . . . . . 80 VAL CG1 . 27518 1 898 . 1 1 80 80 VAL CG2 C 13 22.7 0.2 . 1 . . . . . 80 VAL CG2 . 27518 1 899 . 1 1 80 80 VAL N N 15 123.2 0.2 . 1 . . . . . 80 VAL N . 27518 1 900 . 1 1 81 81 TYR H H 1 9.15 0.02 . 1 . . . . . 81 TYR H . 27518 1 901 . 1 1 81 81 TYR HA H 1 5.61 0.02 . 1 . . . . . 81 TYR HA . 27518 1 902 . 1 1 81 81 TYR HB2 H 1 2.88 0.02 . 1 . . . . . 81 TYR HB2 . 27518 1 903 . 1 1 81 81 TYR HB3 H 1 2.79 0.02 . 1 . . . . . 81 TYR HB3 . 27518 1 904 . 1 1 81 81 TYR HD1 H 1 6.94 0.02 . 1 . . . . . 81 TYR HD1 . 27518 1 905 . 1 1 81 81 TYR HD2 H 1 6.94 0.02 . 1 . . . . . 81 TYR HD2 . 27518 1 906 . 1 1 81 81 TYR HE1 H 1 6.63 0.02 . 1 . . . . . 81 TYR HE1 . 27518 1 907 . 1 1 81 81 TYR HE2 H 1 6.63 0.02 . 1 . . . . . 81 TYR HE2 . 27518 1 908 . 1 1 81 81 TYR C C 13 175.3 0.2 . 1 . . . . . 81 TYR C . 27518 1 909 . 1 1 81 81 TYR CA C 13 56.6 0.2 . 1 . . . . . 81 TYR CA . 27518 1 910 . 1 1 81 81 TYR CB C 13 42.2 0.2 . 1 . . . . . 81 TYR CB . 27518 1 911 . 1 1 81 81 TYR CD1 C 13 133.4 0.2 . 1 . . . . . 81 TYR CD1 . 27518 1 912 . 1 1 81 81 TYR CD2 C 13 133.4 0.2 . 1 . . . . . 81 TYR CD2 . 27518 1 913 . 1 1 81 81 TYR CE1 C 13 118.2 0.2 . 1 . . . . . 81 TYR CE1 . 27518 1 914 . 1 1 81 81 TYR CE2 C 13 118.2 0.2 . 1 . . . . . 81 TYR CE2 . 27518 1 915 . 1 1 81 81 TYR N N 15 123.6 0.2 . 1 . . . . . 81 TYR N . 27518 1 916 . 1 1 82 82 LEU H H 1 8.56 0.02 . 1 . . . . . 82 LEU H . 27518 1 917 . 1 1 82 82 LEU HA H 1 4.67 0.02 . 1 . . . . . 82 LEU HA . 27518 1 918 . 1 1 82 82 LEU HB2 H 1 0.7 0.02 . 1 . . . . . 82 LEU HB2 . 27518 1 919 . 1 1 82 82 LEU HB3 H 1 0.7 0.02 . 1 . . . . . 82 LEU HB3 . 27518 1 920 . 1 1 82 82 LEU HG H 1 1.16 0.02 . 1 . . . . . 82 LEU HG . 27518 1 921 . 1 1 82 82 LEU HD11 H 1 0.56 0.02 . 1 . . . . . 82 LEU HD1 . 27518 1 922 . 1 1 82 82 LEU HD12 H 1 0.56 0.02 . 1 . . . . . 82 LEU HD1 . 27518 1 923 . 1 1 82 82 LEU HD13 H 1 0.56 0.02 . 1 . . . . . 82 LEU HD1 . 27518 1 924 . 1 1 82 82 LEU HD21 H 1 0.56 0.02 . 1 . . . . . 82 LEU HD2 . 27518 1 925 . 1 1 82 82 LEU HD22 H 1 0.56 0.02 . 1 . . . . . 82 LEU HD2 . 27518 1 926 . 1 1 82 82 LEU HD23 H 1 0.56 0.02 . 1 . . . . . 82 LEU HD2 . 27518 1 927 . 1 1 82 82 LEU C C 13 174 0.2 . 1 . . . . . 82 LEU C . 27518 1 928 . 1 1 82 82 LEU CA C 13 53.6 0.2 . 1 . . . . . 82 LEU CA . 27518 1 929 . 1 1 82 82 LEU CB C 13 43 0.2 . 1 . . . . . 82 LEU CB . 27518 1 930 . 1 1 82 82 LEU CG C 13 25.5 0.2 . 1 . . . . . 82 LEU CG . 27518 1 931 . 1 1 82 82 LEU CD1 C 13 22.5 0.2 . 1 . . . . . 82 LEU CD1 . 27518 1 932 . 1 1 82 82 LEU CD2 C 13 22.5 0.2 . 1 . . . . . 82 LEU CD2 . 27518 1 933 . 1 1 82 82 LEU N N 15 122.1 0.2 . 1 . . . . . 82 LEU N . 27518 1 934 . 1 1 83 83 GLN H H 1 9.04 0.02 . 1 . . . . . 83 GLN H . 27518 1 935 . 1 1 83 83 GLN HA H 1 4.18 0.02 . 1 . . . . . 83 GLN HA . 27518 1 936 . 1 1 83 83 GLN HB2 H 1 1.99 0.02 . 1 . . . . . 83 GLN HB2 . 27518 1 937 . 1 1 83 83 GLN HB3 H 1 1.89 0.02 . 1 . . . . . 83 GLN HB3 . 27518 1 938 . 1 1 83 83 GLN HG2 H 1 2.34 0.02 . 1 . . . . . 83 GLN HG2 . 27518 1 939 . 1 1 83 83 GLN HG3 H 1 2.34 0.02 . 1 . . . . . 83 GLN HG3 . 27518 1 940 . 1 1 83 83 GLN HE21 H 1 7.02 0.02 . 1 . . . . . 83 GLN HE21 . 27518 1 941 . 1 1 83 83 GLN HE22 H 1 6.9 0.02 . 1 . . . . . 83 GLN HE22 . 27518 1 942 . 1 1 83 83 GLN C C 13 174.2 0.2 . 1 . . . . . 83 GLN C . 27518 1 943 . 1 1 83 83 GLN CA C 13 55 0.2 . 1 . . . . . 83 GLN CA . 27518 1 944 . 1 1 83 83 GLN CB C 13 29.1 0.2 . 1 . . . . . 83 GLN CB . 27518 1 945 . 1 1 83 83 GLN CG C 13 33.5 0.2 . 1 . . . . . 83 GLN CG . 27518 1 946 . 1 1 83 83 GLN N N 15 128.6 0.2 . 1 . . . . . 83 GLN N . 27518 1 947 . 1 1 83 83 GLN NE2 N 15 113 0.2 . 1 . . . . . 83 GLN NE2 . 27518 1 948 . 1 1 84 84 MET H H 1 8.81 0.02 . 1 . . . . . 84 MET H . 27518 1 949 . 1 1 84 84 MET HA H 1 3.97 0.02 . 1 . . . . . 84 MET HA . 27518 1 950 . 1 1 84 84 MET HB2 H 1 1.74 0.02 . 1 . . . . . 84 MET HB2 . 27518 1 951 . 1 1 84 84 MET HB3 H 1 0.99 0.02 . 1 . . . . . 84 MET HB3 . 27518 1 952 . 1 1 84 84 MET HG2 H 1 1.49 0.02 . 1 . . . . . 84 MET HG2 . 27518 1 953 . 1 1 84 84 MET HG3 H 1 1.49 0.02 . 1 . . . . . 84 MET HG3 . 27518 1 954 . 1 1 84 84 MET C C 13 172.9 0.2 . 1 . . . . . 84 MET C . 27518 1 955 . 1 1 84 84 MET CA C 13 54.8 0.2 . 1 . . . . . 84 MET CA . 27518 1 956 . 1 1 84 84 MET CB C 13 35.1 0.2 . 1 . . . . . 84 MET CB . 27518 1 957 . 1 1 84 84 MET CG C 13 29.8 0.2 . 1 . . . . . 84 MET CG . 27518 1 958 . 1 1 84 84 MET N N 15 127.3 0.2 . 1 . . . . . 84 MET N . 27518 1 959 . 1 1 85 85 ASN H H 1 7.64 0.02 . 1 . . . . . 85 ASN H . 27518 1 960 . 1 1 85 85 ASN HA H 1 5.14 0.02 . 1 . . . . . 85 ASN HA . 27518 1 961 . 1 1 85 85 ASN HB2 H 1 3.11 0.02 . 1 . . . . . 85 ASN HB2 . 27518 1 962 . 1 1 85 85 ASN HB3 H 1 2.76 0.02 . 1 . . . . . 85 ASN HB3 . 27518 1 963 . 1 1 85 85 ASN HD21 H 1 7.37 0.02 . 1 . . . . . 85 ASN HD21 . 27518 1 964 . 1 1 85 85 ASN HD22 H 1 6.79 0.02 . 1 . . . . . 85 ASN HD22 . 27518 1 965 . 1 1 85 85 ASN C C 13 173.1 0.2 . 1 . . . . . 85 ASN C . 27518 1 966 . 1 1 85 85 ASN CA C 13 51.1 0.2 . 1 . . . . . 85 ASN CA . 27518 1 967 . 1 1 85 85 ASN CB C 13 41 0.2 . 1 . . . . . 85 ASN CB . 27518 1 968 . 1 1 85 85 ASN N N 15 119.7 0.2 . 1 . . . . . 85 ASN N . 27518 1 969 . 1 1 85 85 ASN ND2 N 15 113.2 0.2 . 1 . . . . . 85 ASN ND2 . 27518 1 970 . 1 1 86 86 SER H H 1 8.55 0.02 . 1 . . . . . 86 SER H . 27518 1 971 . 1 1 86 86 SER HA H 1 3.62 0.02 . 1 . . . . . 86 SER HA . 27518 1 972 . 1 1 86 86 SER HB2 H 1 4.03 0.02 . 1 . . . . . 86 SER HB2 . 27518 1 973 . 1 1 86 86 SER HB3 H 1 3.69 0.02 . 1 . . . . . 86 SER HB3 . 27518 1 974 . 1 1 86 86 SER C C 13 176 0.2 . 1 . . . . . 86 SER C . 27518 1 975 . 1 1 86 86 SER CA C 13 57.7 0.2 . 1 . . . . . 86 SER CA . 27518 1 976 . 1 1 86 86 SER CB C 13 61.9 0.2 . 1 . . . . . 86 SER CB . 27518 1 977 . 1 1 86 86 SER N N 15 111.1 0.2 . 1 . . . . . 86 SER N . 27518 1 978 . 1 1 87 87 LEU H H 1 8.14 0.02 . 1 . . . . . 87 LEU H . 27518 1 979 . 1 1 87 87 LEU HA H 1 3.98 0.02 . 1 . . . . . 87 LEU HA . 27518 1 980 . 1 1 87 87 LEU HB2 H 1 1.42 0.02 . 1 . . . . . 87 LEU HB2 . 27518 1 981 . 1 1 87 87 LEU HB3 H 1 1.27 0.02 . 1 . . . . . 87 LEU HB3 . 27518 1 982 . 1 1 87 87 LEU HG H 1 0.53 0.02 . 1 . . . . . 87 LEU HG . 27518 1 983 . 1 1 87 87 LEU HD11 H 1 0.88 0.02 . 1 . . . . . 87 LEU HD1 . 27518 1 984 . 1 1 87 87 LEU HD12 H 1 0.88 0.02 . 1 . . . . . 87 LEU HD1 . 27518 1 985 . 1 1 87 87 LEU HD13 H 1 0.88 0.02 . 1 . . . . . 87 LEU HD1 . 27518 1 986 . 1 1 87 87 LEU HD21 H 1 0.88 0.02 . 1 . . . . . 87 LEU HD2 . 27518 1 987 . 1 1 87 87 LEU HD22 H 1 0.88 0.02 . 1 . . . . . 87 LEU HD2 . 27518 1 988 . 1 1 87 87 LEU HD23 H 1 0.88 0.02 . 1 . . . . . 87 LEU HD2 . 27518 1 989 . 1 1 87 87 LEU C C 13 176.8 0.2 . 1 . . . . . 87 LEU C . 27518 1 990 . 1 1 87 87 LEU CA C 13 56.5 0.2 . 1 . . . . . 87 LEU CA . 27518 1 991 . 1 1 87 87 LEU CB C 13 42.9 0.2 . 1 . . . . . 87 LEU CB . 27518 1 992 . 1 1 87 87 LEU CG C 13 27.1 0.2 . 1 . . . . . 87 LEU CG . 27518 1 993 . 1 1 87 87 LEU CD1 C 13 24.4 0.2 . 1 . . . . . 87 LEU CD1 . 27518 1 994 . 1 1 87 87 LEU CD2 C 13 24.4 0.2 . 1 . . . . . 87 LEU CD2 . 27518 1 995 . 1 1 87 87 LEU N N 15 118.9 0.2 . 1 . . . . . 87 LEU N . 27518 1 996 . 1 1 88 88 LYS H H 1 9.69 0.02 . 1 . . . . . 88 LYS H . 27518 1 997 . 1 1 88 88 LYS HA H 1 4.85 0.02 . 1 . . . . . 88 LYS HA . 27518 1 998 . 1 1 88 88 LYS HB2 H 1 2.12 0.02 . 1 . . . . . 88 LYS HB2 . 27518 1 999 . 1 1 88 88 LYS HB3 H 1 1.49 0.02 . 1 . . . . . 88 LYS HB3 . 27518 1 1000 . 1 1 88 88 LYS HG2 H 1 1.56 0.02 . 1 . . . . . 88 LYS HG2 . 27518 1 1001 . 1 1 88 88 LYS HG3 H 1 1.56 0.02 . 1 . . . . . 88 LYS HG3 . 27518 1 1002 . 1 1 88 88 LYS HD2 H 1 1.66 0.02 . 1 . . . . . 88 LYS HD2 . 27518 1 1003 . 1 1 88 88 LYS HD3 H 1 1.66 0.02 . 1 . . . . . 88 LYS HD3 . 27518 1 1004 . 1 1 88 88 LYS HE2 H 1 2.87 0.02 . 1 . . . . . 88 LYS HE2 . 27518 1 1005 . 1 1 88 88 LYS HE3 H 1 2.87 0.02 . 1 . . . . . 88 LYS HE3 . 27518 1 1006 . 1 1 88 88 LYS C C 13 175 0.2 . 1 . . . . . 88 LYS C . 27518 1 1007 . 1 1 88 88 LYS CA C 13 53.3 0.2 . 1 . . . . . 88 LYS CA . 27518 1 1008 . 1 1 88 88 LYS CB C 13 34.2 0.2 . 1 . . . . . 88 LYS CB . 27518 1 1009 . 1 1 88 88 LYS CG C 13 24.7 0.2 . 1 . . . . . 88 LYS CG . 27518 1 1010 . 1 1 88 88 LYS CD C 13 29.3 0.2 . 1 . . . . . 88 LYS CD . 27518 1 1011 . 1 1 88 88 LYS CE C 13 42.2 0.2 . 1 . . . . . 88 LYS CE . 27518 1 1012 . 1 1 88 88 LYS N N 15 122.2 0.2 . 1 . . . . . 88 LYS N . 27518 1 1013 . 1 1 89 89 PRO HA H 1 4.31 0.02 . 1 . . . . . 89 PRO HA . 27518 1 1014 . 1 1 89 89 PRO HB2 H 1 2.44 0.02 . 1 . . . . . 89 PRO HB2 . 27518 1 1015 . 1 1 89 89 PRO HB3 H 1 1.94 0.02 . 1 . . . . . 89 PRO HB3 . 27518 1 1016 . 1 1 89 89 PRO HG2 H 1 2.3 0.02 . 1 . . . . . 89 PRO HG2 . 27518 1 1017 . 1 1 89 89 PRO HG3 H 1 1.77 0.02 . 1 . . . . . 89 PRO HG3 . 27518 1 1018 . 1 1 89 89 PRO HD2 H 1 3.86 0.02 . 1 . . . . . 89 PRO HD2 . 27518 1 1019 . 1 1 89 89 PRO HD3 H 1 3.62 0.02 . 1 . . . . . 89 PRO HD3 . 27518 1 1020 . 1 1 89 89 PRO CA C 13 66.3 0.2 . 1 . . . . . 89 PRO CA . 27518 1 1021 . 1 1 89 89 PRO CB C 13 31.8 0.2 . 1 . . . . . 89 PRO CB . 27518 1 1022 . 1 1 89 89 PRO CG C 13 28.5 0.2 . 1 . . . . . 89 PRO CG . 27518 1 1023 . 1 1 89 89 PRO CD C 13 50.3 0.2 . 1 . . . . . 89 PRO CD . 27518 1 1024 . 1 1 90 90 GLU H H 1 9.49 0.02 . 1 . . . . . 90 GLU H . 27518 1 1025 . 1 1 90 90 GLU HA H 1 4.31 0.02 . 1 . . . . . 90 GLU HA . 27518 1 1026 . 1 1 90 90 GLU HB2 H 1 2.09 0.02 . 1 . . . . . 90 GLU HB2 . 27518 1 1027 . 1 1 90 90 GLU HB3 H 1 2.03 0.02 . 1 . . . . . 90 GLU HB3 . 27518 1 1028 . 1 1 90 90 GLU HG2 H 1 2.24 0.02 . 1 . . . . . 90 GLU HG2 . 27518 1 1029 . 1 1 90 90 GLU HG3 H 1 2.24 0.02 . 1 . . . . . 90 GLU HG3 . 27518 1 1030 . 1 1 90 90 GLU C C 13 176.1 0.2 . 1 . . . . . 90 GLU C . 27518 1 1031 . 1 1 90 90 GLU CA C 13 58.8 0.2 . 1 . . . . . 90 GLU CA . 27518 1 1032 . 1 1 90 90 GLU CB C 13 28.3 0.2 . 1 . . . . . 90 GLU CB . 27518 1 1033 . 1 1 90 90 GLU CG C 13 36.7 0.2 . 1 . . . . . 90 GLU CG . 27518 1 1034 . 1 1 90 90 GLU N N 15 115.3 0.2 . 1 . . . . . 90 GLU N . 27518 1 1035 . 1 1 91 91 ASP H H 1 8.69 0.02 . 1 . . . . . 91 ASP H . 27518 1 1036 . 1 1 91 91 ASP HA H 1 4.77 0.02 . 1 . . . . . 91 ASP HA . 27518 1 1037 . 1 1 91 91 ASP HB2 H 1 3.1 0.02 . 1 . . . . . 91 ASP HB2 . 27518 1 1038 . 1 1 91 91 ASP HB3 H 1 2.81 0.02 . 1 . . . . . 91 ASP HB3 . 27518 1 1039 . 1 1 91 91 ASP C C 13 176.5 0.2 . 1 . . . . . 91 ASP C . 27518 1 1040 . 1 1 91 91 ASP CA C 13 55.1 0.2 . 1 . . . . . 91 ASP CA . 27518 1 1041 . 1 1 91 91 ASP CB C 13 42.1 0.2 . 1 . . . . . 91 ASP CB . 27518 1 1042 . 1 1 91 91 ASP N N 15 118.3 0.2 . 1 . . . . . 91 ASP N . 27518 1 1043 . 1 1 92 92 THR H H 1 7.88 0.02 . 1 . . . . . 92 THR H . 27518 1 1044 . 1 1 92 92 THR HA H 1 4.37 0.02 . 1 . . . . . 92 THR HA . 27518 1 1045 . 1 1 92 92 THR HB H 1 4.33 0.02 . 1 . . . . . 92 THR HB . 27518 1 1046 . 1 1 92 92 THR HG21 H 1 1.54 0.02 . 1 . . . . . 92 THR HG2 . 27518 1 1047 . 1 1 92 92 THR HG22 H 1 1.54 0.02 . 1 . . . . . 92 THR HG2 . 27518 1 1048 . 1 1 92 92 THR HG23 H 1 1.54 0.02 . 1 . . . . . 92 THR HG2 . 27518 1 1049 . 1 1 92 92 THR C C 13 174.3 0.2 . 1 . . . . . 92 THR C . 27518 1 1050 . 1 1 92 92 THR CA C 13 65.2 0.2 . 1 . . . . . 92 THR CA . 27518 1 1051 . 1 1 92 92 THR CB C 13 70.2 0.2 . 1 . . . . . 92 THR CB . 27518 1 1052 . 1 1 92 92 THR CG2 C 13 21.5 0.2 . 1 . . . . . 92 THR CG2 . 27518 1 1053 . 1 1 92 92 THR N N 15 120.6 0.2 . 1 . . . . . 92 THR N . 27518 1 1054 . 1 1 93 93 ALA H H 1 9.19 0.02 . 1 . . . . . 93 ALA H . 27518 1 1055 . 1 1 93 93 ALA HA H 1 4.48 0.02 . 1 . . . . . 93 ALA HA . 27518 1 1056 . 1 1 93 93 ALA HB1 H 1 1.13 0.02 . 1 . . . . . 93 ALA HB . 27518 1 1057 . 1 1 93 93 ALA HB2 H 1 1.13 0.02 . 1 . . . . . 93 ALA HB . 27518 1 1058 . 1 1 93 93 ALA HB3 H 1 1.13 0.02 . 1 . . . . . 93 ALA HB . 27518 1 1059 . 1 1 93 93 ALA C C 13 175.8 0.2 . 1 . . . . . 93 ALA C . 27518 1 1060 . 1 1 93 93 ALA CA C 13 52.9 0.2 . 1 . . . . . 93 ALA CA . 27518 1 1061 . 1 1 93 93 ALA CB C 13 21.8 0.2 . 1 . . . . . 93 ALA CB . 27518 1 1062 . 1 1 93 93 ALA N N 15 128 0.2 . 1 . . . . . 93 ALA N . 27518 1 1063 . 1 1 94 94 VAL H H 1 7.72 0.02 . 1 . . . . . 94 VAL H . 27518 1 1064 . 1 1 94 94 VAL HA H 1 4.52 0.02 . 1 . . . . . 94 VAL HA . 27518 1 1065 . 1 1 94 94 VAL HB H 1 2.05 0.02 . 1 . . . . . 94 VAL HB . 27518 1 1066 . 1 1 94 94 VAL HG11 H 1 1.04 0.02 . 1 . . . . . 94 VAL HG1 . 27518 1 1067 . 1 1 94 94 VAL HG12 H 1 1.04 0.02 . 1 . . . . . 94 VAL HG1 . 27518 1 1068 . 1 1 94 94 VAL HG13 H 1 1.04 0.02 . 1 . . . . . 94 VAL HG1 . 27518 1 1069 . 1 1 94 94 VAL HG21 H 1 0.93 0.02 . 1 . . . . . 94 VAL HG2 . 27518 1 1070 . 1 1 94 94 VAL HG22 H 1 0.93 0.02 . 1 . . . . . 94 VAL HG2 . 27518 1 1071 . 1 1 94 94 VAL HG23 H 1 0.93 0.02 . 1 . . . . . 94 VAL HG2 . 27518 1 1072 . 1 1 94 94 VAL C C 13 176.5 0.2 . 1 . . . . . 94 VAL C . 27518 1 1073 . 1 1 94 94 VAL CA C 13 63.1 0.2 . 1 . . . . . 94 VAL CA . 27518 1 1074 . 1 1 94 94 VAL CB C 13 32.5 0.2 . 1 . . . . . 94 VAL CB . 27518 1 1075 . 1 1 94 94 VAL CG1 C 13 22.4 0.2 . 1 . . . . . 94 VAL CG1 . 27518 1 1076 . 1 1 94 94 VAL CG2 C 13 21.2 0.2 . 1 . . . . . 94 VAL CG2 . 27518 1 1077 . 1 1 94 94 VAL N N 15 117.8 0.2 . 1 . . . . . 94 VAL N . 27518 1 1078 . 1 1 95 95 TYR H H 1 9.48 0.02 . 1 . . . . . 95 TYR H . 27518 1 1079 . 1 1 95 95 TYR HA H 1 5.39 0.02 . 1 . . . . . 95 TYR HA . 27518 1 1080 . 1 1 95 95 TYR HB2 H 1 3.04 0.02 . 1 . . . . . 95 TYR HB2 . 27518 1 1081 . 1 1 95 95 TYR HB3 H 1 2.85 0.02 . 1 . . . . . 95 TYR HB3 . 27518 1 1082 . 1 1 95 95 TYR HD1 H 1 6.83 0.02 . 1 . . . . . 95 TYR HD1 . 27518 1 1083 . 1 1 95 95 TYR HD2 H 1 6.83 0.02 . 1 . . . . . 95 TYR HD2 . 27518 1 1084 . 1 1 95 95 TYR C C 13 174.9 0.2 . 1 . . . . . 95 TYR C . 27518 1 1085 . 1 1 95 95 TYR CA C 13 57.6 0.2 . 1 . . . . . 95 TYR CA . 27518 1 1086 . 1 1 95 95 TYR CB C 13 41.1 0.2 . 1 . . . . . 95 TYR CB . 27518 1 1087 . 1 1 95 95 TYR CD1 C 13 133.4 0.2 . 1 . . . . . 95 TYR CD1 . 27518 1 1088 . 1 1 95 95 TYR CD2 C 13 133.4 0.2 . 1 . . . . . 95 TYR CD2 . 27518 1 1089 . 1 1 95 95 TYR N N 15 130.4 0.2 . 1 . . . . . 95 TYR N . 27518 1 1090 . 1 1 96 96 ASN H H 1 9.64 0.02 . 1 . . . . . 96 ASN H . 27518 1 1091 . 1 1 96 96 ASN HA H 1 5.35 0.02 . 1 . . . . . 96 ASN HA . 27518 1 1092 . 1 1 96 96 ASN HB2 H 1 2.68 0.02 . 1 . . . . . 96 ASN HB2 . 27518 1 1093 . 1 1 96 96 ASN HB3 H 1 2.39 0.02 . 1 . . . . . 96 ASN HB3 . 27518 1 1094 . 1 1 96 96 ASN HD21 H 1 7.19 0.02 . 1 . . . . . 96 ASN HD21 . 27518 1 1095 . 1 1 96 96 ASN HD22 H 1 6.28 0.02 . 1 . . . . . 96 ASN HD22 . 27518 1 1096 . 1 1 96 96 ASN C C 13 171.4 0.2 . 1 . . . . . 96 ASN C . 27518 1 1097 . 1 1 96 96 ASN CA C 13 51.8 0.2 . 1 . . . . . 96 ASN CA . 27518 1 1098 . 1 1 96 96 ASN CB C 13 43 0.2 . 1 . . . . . 96 ASN CB . 27518 1 1099 . 1 1 96 96 ASN N N 15 120.6 0.2 . 1 . . . . . 96 ASN N . 27518 1 1100 . 1 1 96 96 ASN ND2 N 15 110.6 0.2 . 1 . . . . . 96 ASN ND2 . 27518 1 1101 . 1 1 97 97 CYS H H 1 10.81 0.02 . 1 . . . . . 97 CYS H . 27518 1 1102 . 1 1 97 97 CYS HA H 1 4.85 0.02 . 1 . . . . . 97 CYS HA . 27518 1 1103 . 1 1 97 97 CYS HB2 H 1 2.25 0.02 . 1 . . . . . 97 CYS HB2 . 27518 1 1104 . 1 1 97 97 CYS HB3 H 1 0.69 0.02 . 1 . . . . . 97 CYS HB3 . 27518 1 1105 . 1 1 97 97 CYS C C 13 171.9 0.2 . 1 . . . . . 97 CYS C . 27518 1 1106 . 1 1 97 97 CYS CA C 13 56.2 0.2 . 1 . . . . . 97 CYS CA . 27518 1 1107 . 1 1 97 97 CYS CB C 13 28.6 0.2 . 1 . . . . . 97 CYS CB . 27518 1 1108 . 1 1 97 97 CYS N N 15 127.4 0.2 . 1 . . . . . 97 CYS N . 27518 1 1109 . 1 1 98 98 ALA H H 1 9.13 0.02 . 1 . . . . . 98 ALA H . 27518 1 1110 . 1 1 98 98 ALA HA H 1 4.93 0.02 . 1 . . . . . 98 ALA HA . 27518 1 1111 . 1 1 98 98 ALA HB1 H 1 0.74 0.02 . 1 . . . . . 98 ALA HB . 27518 1 1112 . 1 1 98 98 ALA HB2 H 1 0.74 0.02 . 1 . . . . . 98 ALA HB . 27518 1 1113 . 1 1 98 98 ALA HB3 H 1 0.74 0.02 . 1 . . . . . 98 ALA HB . 27518 1 1114 . 1 1 98 98 ALA C C 13 175.1 0.2 . 1 . . . . . 98 ALA C . 27518 1 1115 . 1 1 98 98 ALA CA C 13 50.7 0.2 . 1 . . . . . 98 ALA CA . 27518 1 1116 . 1 1 98 98 ALA CB C 13 23.3 0.2 . 1 . . . . . 98 ALA CB . 27518 1 1117 . 1 1 98 98 ALA N N 15 128.9 0.2 . 1 . . . . . 98 ALA N . 27518 1 1118 . 1 1 99 99 ALA H H 1 8.55 0.02 . 1 . . . . . 99 ALA H . 27518 1 1119 . 1 1 99 99 ALA HA H 1 5.62 0.02 . 1 . . . . . 99 ALA HA . 27518 1 1120 . 1 1 99 99 ALA HB1 H 1 0.97 0.02 . 1 . . . . . 99 ALA HB . 27518 1 1121 . 1 1 99 99 ALA HB2 H 1 0.97 0.02 . 1 . . . . . 99 ALA HB . 27518 1 1122 . 1 1 99 99 ALA HB3 H 1 0.97 0.02 . 1 . . . . . 99 ALA HB . 27518 1 1123 . 1 1 99 99 ALA C C 13 176.8 0.2 . 1 . . . . . 99 ALA C . 27518 1 1124 . 1 1 99 99 ALA CA C 13 49.7 0.2 . 1 . . . . . 99 ALA CA . 27518 1 1125 . 1 1 99 99 ALA CB C 13 23.5 0.2 . 1 . . . . . 99 ALA CB . 27518 1 1126 . 1 1 99 99 ALA N N 15 123.9 0.2 . 1 . . . . . 99 ALA N . 27518 1 1127 . 1 1 100 100 GLY H H 1 8.51 0.02 . 1 . . . . . 100 GLY H . 27518 1 1128 . 1 1 100 100 GLY C C 13 171.2 0.2 . 1 . . . . . 100 GLY C . 27518 1 1129 . 1 1 100 100 GLY CA C 13 45.2 0.2 . 1 . . . . . 100 GLY CA . 27518 1 1130 . 1 1 100 100 GLY N N 15 110 0.2 . 1 . . . . . 100 GLY N . 27518 1 1131 . 1 1 101 101 LYS H H 1 8.58 0.02 . 1 . . . . . 101 LYS H . 27518 1 1132 . 1 1 101 101 LYS C C 13 173.1 0.2 . 1 . . . . . 101 LYS C . 27518 1 1133 . 1 1 101 101 LYS CA C 13 56.6 0.2 . 1 . . . . . 101 LYS CA . 27518 1 1134 . 1 1 101 101 LYS CB C 13 32.5 0.2 . 1 . . . . . 101 LYS CB . 27518 1 1135 . 1 1 101 101 LYS N N 15 121.7 0.2 . 1 . . . . . 101 LYS N . 27518 1 1136 . 1 1 108 108 GLY HA2 H 1 3.93 0.02 . 1 . . . . . 108 GLY HA2 . 27518 1 1137 . 1 1 108 108 GLY HA3 H 1 3.65 0.02 . 1 . . . . . 108 GLY HA3 . 27518 1 1138 . 1 1 108 108 GLY C C 13 172.7 0.2 . 1 . . . . . 108 GLY C . 27518 1 1139 . 1 1 108 108 GLY CA C 13 44.5 0.2 . 1 . . . . . 108 GLY CA . 27518 1 1140 . 1 1 109 109 ALA H H 1 8.3 0.02 . 1 . . . . . 109 ALA H . 27518 1 1141 . 1 1 109 109 ALA HA H 1 4.4 0.02 . 1 . . . . . 109 ALA HA . 27518 1 1142 . 1 1 109 109 ALA HB1 H 1 1.3 0.02 . 1 . . . . . 109 ALA HB . 27518 1 1143 . 1 1 109 109 ALA HB2 H 1 1.3 0.02 . 1 . . . . . 109 ALA HB . 27518 1 1144 . 1 1 109 109 ALA HB3 H 1 1.3 0.02 . 1 . . . . . 109 ALA HB . 27518 1 1145 . 1 1 109 109 ALA CA C 13 50.5 0.2 . 1 . . . . . 109 ALA CA . 27518 1 1146 . 1 1 109 109 ALA CB C 13 18.1 0.2 . 1 . . . . . 109 ALA CB . 27518 1 1147 . 1 1 109 109 ALA N N 15 123.8 0.2 . 1 . . . . . 109 ALA N . 27518 1 1148 . 1 1 110 110 PRO HA H 1 4.26 0.02 . 1 . . . . . 110 PRO HA . 27518 1 1149 . 1 1 110 110 PRO HB2 H 1 1.78 0.02 . 1 . . . . . 110 PRO HB2 . 27518 1 1150 . 1 1 110 110 PRO HB3 H 1 1.32 0.02 . 1 . . . . . 110 PRO HB3 . 27518 1 1151 . 1 1 110 110 PRO HG2 H 1 1.36 0.02 . 1 . . . . . 110 PRO HG2 . 27518 1 1152 . 1 1 110 110 PRO HG3 H 1 1.33 0.02 . 1 . . . . . 110 PRO HG3 . 27518 1 1153 . 1 1 110 110 PRO HD2 H 1 3.37 0.02 . 1 . . . . . 110 PRO HD2 . 27518 1 1154 . 1 1 110 110 PRO HD3 H 1 3.37 0.02 . 1 . . . . . 110 PRO HD3 . 27518 1 1155 . 1 1 110 110 PRO C C 13 175.2 0.2 . 1 . . . . . 110 PRO C . 27518 1 1156 . 1 1 110 110 PRO CA C 13 62.9 0.2 . 1 . . . . . 110 PRO CA . 27518 1 1157 . 1 1 110 110 PRO CB C 13 32.7 0.2 . 1 . . . . . 110 PRO CB . 27518 1 1158 . 1 1 110 110 PRO CG C 13 27.1 0.2 . 1 . . . . . 110 PRO CG . 27518 1 1159 . 1 1 110 110 PRO CD C 13 50.3 0.2 . 1 . . . . . 110 PRO CD . 27518 1 1160 . 1 1 111 111 ASP H H 1 8.62 0.02 . 1 . . . . . 111 ASP H . 27518 1 1161 . 1 1 111 111 ASP HA H 1 4.48 0.02 . 1 . . . . . 111 ASP HA . 27518 1 1162 . 1 1 111 111 ASP HB2 H 1 2.07 0.02 . 1 . . . . . 111 ASP HB2 . 27518 1 1163 . 1 1 111 111 ASP HB3 H 1 1.99 0.02 . 1 . . . . . 111 ASP HB3 . 27518 1 1164 . 1 1 111 111 ASP C C 13 175.4 0.2 . 1 . . . . . 111 ASP C . 27518 1 1165 . 1 1 111 111 ASP CA C 13 56.2 0.2 . 1 . . . . . 111 ASP CA . 27518 1 1166 . 1 1 111 111 ASP CB C 13 44 0.2 . 1 . . . . . 111 ASP CB . 27518 1 1167 . 1 1 111 111 ASP N N 15 119.6 0.2 . 1 . . . . . 111 ASP N . 27518 1 1168 . 1 1 112 112 TYR H H 1 7.44 0.02 . 1 . . . . . 112 TYR H . 27518 1 1169 . 1 1 112 112 TYR HA H 1 4.78 0.02 . 1 . . . . . 112 TYR HA . 27518 1 1170 . 1 1 112 112 TYR HB2 H 1 3.01 0.02 . 1 . . . . . 112 TYR HB2 . 27518 1 1171 . 1 1 112 112 TYR HB3 H 1 2.2 0.02 . 1 . . . . . 112 TYR HB3 . 27518 1 1172 . 1 1 112 112 TYR HD1 H 1 6.75 0.02 . 1 . . . . . 112 TYR HD1 . 27518 1 1173 . 1 1 112 112 TYR HD2 H 1 6.75 0.02 . 1 . . . . . 112 TYR HD2 . 27518 1 1174 . 1 1 112 112 TYR HE1 H 1 6.79 0.02 . 1 . . . . . 112 TYR HE1 . 27518 1 1175 . 1 1 112 112 TYR HE2 H 1 6.79 0.02 . 1 . . . . . 112 TYR HE2 . 27518 1 1176 . 1 1 112 112 TYR C C 13 173.8 0.2 . 1 . . . . . 112 TYR C . 27518 1 1177 . 1 1 112 112 TYR CA C 13 56.8 0.2 . 1 . . . . . 112 TYR CA . 27518 1 1178 . 1 1 112 112 TYR CB C 13 42.6 0.2 . 1 . . . . . 112 TYR CB . 27518 1 1179 . 1 1 112 112 TYR CD1 C 13 134.4 0.2 . 1 . . . . . 112 TYR CD1 . 27518 1 1180 . 1 1 112 112 TYR CD2 C 13 134.4 0.2 . 1 . . . . . 112 TYR CD2 . 27518 1 1181 . 1 1 112 112 TYR CE1 C 13 118.1 0.2 . 1 . . . . . 112 TYR CE1 . 27518 1 1182 . 1 1 112 112 TYR CE2 C 13 118.1 0.2 . 1 . . . . . 112 TYR CE2 . 27518 1 1183 . 1 1 112 112 TYR N N 15 113.7 0.2 . 1 . . . . . 112 TYR N . 27518 1 1184 . 1 1 113 113 TRP H H 1 8.63 0.02 . 1 . . . . . 113 TRP H . 27518 1 1185 . 1 1 113 113 TRP HA H 1 5.17 0.02 . 1 . . . . . 113 TRP HA . 27518 1 1186 . 1 1 113 113 TRP HB2 H 1 3.43 0.02 . 1 . . . . . 113 TRP HB2 . 27518 1 1187 . 1 1 113 113 TRP HB3 H 1 2.95 0.02 . 1 . . . . . 113 TRP HB3 . 27518 1 1188 . 1 1 113 113 TRP HD1 H 1 7.04 0.02 . 1 . . . . . 113 TRP HD1 . 27518 1 1189 . 1 1 113 113 TRP HE1 H 1 9.84 0.02 . 1 . . . . . 113 TRP HE1 . 27518 1 1190 . 1 1 113 113 TRP HE3 H 1 7.09 0.02 . 1 . . . . . 113 TRP HE3 . 27518 1 1191 . 1 1 113 113 TRP HZ2 H 1 7.07 0.02 . 1 . . . . . 113 TRP HZ2 . 27518 1 1192 . 1 1 113 113 TRP HZ3 H 1 6.44 0.02 . 1 . . . . . 113 TRP HZ3 . 27518 1 1193 . 1 1 113 113 TRP HH2 H 1 6.12 0.02 . 1 . . . . . 113 TRP HH2 . 27518 1 1194 . 1 1 113 113 TRP C C 13 176.9 0.2 . 1 . . . . . 113 TRP C . 27518 1 1195 . 1 1 113 113 TRP CA C 13 57.2 0.2 . 1 . . . . . 113 TRP CA . 27518 1 1196 . 1 1 113 113 TRP CB C 13 32.7 0.2 . 1 . . . . . 113 TRP CB . 27518 1 1197 . 1 1 113 113 TRP CD1 C 13 127.2 0.2 . 1 . . . . . 113 TRP CD1 . 27518 1 1198 . 1 1 113 113 TRP CE3 C 13 120.1 0.2 . 1 . . . . . 113 TRP CE3 . 27518 1 1199 . 1 1 113 113 TRP CZ2 C 13 114.3 0.2 . 1 . . . . . 113 TRP CZ2 . 27518 1 1200 . 1 1 113 113 TRP CZ3 C 13 121.9 0.2 . 1 . . . . . 113 TRP CZ3 . 27518 1 1201 . 1 1 113 113 TRP CH2 C 13 124 0.2 . 1 . . . . . 113 TRP CH2 . 27518 1 1202 . 1 1 113 113 TRP N N 15 119.8 0.2 . 1 . . . . . 113 TRP N . 27518 1 1203 . 1 1 113 113 TRP NE1 N 15 129.8 0.2 . 1 . . . . . 113 TRP NE1 . 27518 1 1204 . 1 1 114 114 GLY H H 1 8.74 0.02 . 1 . . . . . 114 GLY H . 27518 1 1205 . 1 1 114 114 GLY HA2 H 1 4.76 0.02 . 1 . . . . . 114 GLY HA2 . 27518 1 1206 . 1 1 114 114 GLY HA3 H 1 4.52 0.02 . 1 . . . . . 114 GLY HA3 . 27518 1 1207 . 1 1 114 114 GLY C C 13 175.3 0.2 . 1 . . . . . 114 GLY C . 27518 1 1208 . 1 1 114 114 GLY CA C 13 45 0.2 . 1 . . . . . 114 GLY CA . 27518 1 1209 . 1 1 114 114 GLY N N 15 110 0.2 . 1 . . . . . 114 GLY N . 27518 1 1210 . 1 1 115 115 GLN H H 1 8.85 0.02 . 1 . . . . . 115 GLN H . 27518 1 1211 . 1 1 115 115 GLN HA H 1 4.33 0.02 . 1 . . . . . 115 GLN HA . 27518 1 1212 . 1 1 115 115 GLN HB2 H 1 2.32 0.02 . 1 . . . . . 115 GLN HB2 . 27518 1 1213 . 1 1 115 115 GLN HB3 H 1 2.27 0.02 . 1 . . . . . 115 GLN HB3 . 27518 1 1214 . 1 1 115 115 GLN HG2 H 1 2.65 0.02 . 1 . . . . . 115 GLN HG2 . 27518 1 1215 . 1 1 115 115 GLN HG3 H 1 2.65 0.02 . 1 . . . . . 115 GLN HG3 . 27518 1 1216 . 1 1 115 115 GLN HE21 H 1 7.75 0.02 . 1 . . . . . 115 GLN HE21 . 27518 1 1217 . 1 1 115 115 GLN HE22 H 1 7.03 0.02 . 1 . . . . . 115 GLN HE22 . 27518 1 1218 . 1 1 115 115 GLN C C 13 177.8 0.2 . 1 . . . . . 115 GLN C . 27518 1 1219 . 1 1 115 115 GLN CA C 13 57.5 0.2 . 1 . . . . . 115 GLN CA . 27518 1 1220 . 1 1 115 115 GLN CB C 13 29.7 0.2 . 1 . . . . . 115 GLN CB . 27518 1 1221 . 1 1 115 115 GLN CG C 13 34.2 0.2 . 1 . . . . . 115 GLN CG . 27518 1 1222 . 1 1 115 115 GLN N N 15 118.7 0.2 . 1 . . . . . 115 GLN N . 27518 1 1223 . 1 1 115 115 GLN NE2 N 15 112.3 0.2 . 1 . . . . . 115 GLN NE2 . 27518 1 1224 . 1 1 116 116 GLY H H 1 9.51 0.02 . 1 . . . . . 116 GLY H . 27518 1 1225 . 1 1 116 116 GLY HA2 H 1 4.18 0.02 . 1 . . . . . 116 GLY HA2 . 27518 1 1226 . 1 1 116 116 GLY HA3 H 1 4.05 0.02 . 1 . . . . . 116 GLY HA3 . 27518 1 1227 . 1 1 116 116 GLY C C 13 173 0.2 . 1 . . . . . 116 GLY C . 27518 1 1228 . 1 1 116 116 GLY CA C 13 44.4 0.2 . 1 . . . . . 116 GLY CA . 27518 1 1229 . 1 1 116 116 GLY N N 15 111 0.2 . 1 . . . . . 116 GLY N . 27518 1 1230 . 1 1 117 117 THR H H 1 8.91 0.02 . 1 . . . . . 117 THR H . 27518 1 1231 . 1 1 117 117 THR HA H 1 4.81 0.02 . 1 . . . . . 117 THR HA . 27518 1 1232 . 1 1 117 117 THR HB H 1 3.89 0.02 . 1 . . . . . 117 THR HB . 27518 1 1233 . 1 1 117 117 THR HG21 H 1 1.2 0.02 . 1 . . . . . 117 THR HG2 . 27518 1 1234 . 1 1 117 117 THR HG22 H 1 1.2 0.02 . 1 . . . . . 117 THR HG2 . 27518 1 1235 . 1 1 117 117 THR HG23 H 1 1.2 0.02 . 1 . . . . . 117 THR HG2 . 27518 1 1236 . 1 1 117 117 THR C C 13 171.9 0.2 . 1 . . . . . 117 THR C . 27518 1 1237 . 1 1 117 117 THR CA C 13 60.5 0.2 . 1 . . . . . 117 THR CA . 27518 1 1238 . 1 1 117 117 THR CB C 13 71 0.2 . 1 . . . . . 117 THR CB . 27518 1 1239 . 1 1 117 117 THR CG2 C 13 20 0.2 . 1 . . . . . 117 THR CG2 . 27518 1 1240 . 1 1 117 117 THR N N 15 128.3 0.2 . 1 . . . . . 117 THR N . 27518 1 1241 . 1 1 118 118 GLN H H 1 8.73 0.02 . 1 . . . . . 118 GLN H . 27518 1 1242 . 1 1 118 118 GLN HA H 1 4.57 0.02 . 1 . . . . . 118 GLN HA . 27518 1 1243 . 1 1 118 118 GLN HB2 H 1 2.1 0.02 . 1 . . . . . 118 GLN HB2 . 27518 1 1244 . 1 1 118 118 GLN HB3 H 1 2.1 0.02 . 1 . . . . . 118 GLN HB3 . 27518 1 1245 . 1 1 118 118 GLN HE21 H 1 7.02 0.02 . 1 . . . . . 118 GLN HE21 . 27518 1 1246 . 1 1 118 118 GLN HE22 H 1 6.73 0.02 . 1 . . . . . 118 GLN HE22 . 27518 1 1247 . 1 1 118 118 GLN C C 13 174.9 0.2 . 1 . . . . . 118 GLN C . 27518 1 1248 . 1 1 118 118 GLN CA C 13 56.8 0.2 . 1 . . . . . 118 GLN CA . 27518 1 1249 . 1 1 118 118 GLN CB C 13 29.6 0.2 . 1 . . . . . 118 GLN CB . 27518 1 1250 . 1 1 118 118 GLN CG C 13 33.5 0.2 . 1 . . . . . 118 GLN CG . 27518 1 1251 . 1 1 118 118 GLN N N 15 130.3 0.2 . 1 . . . . . 118 GLN N . 27518 1 1252 . 1 1 118 118 GLN NE2 N 15 111.8 0.2 . 1 . . . . . 118 GLN NE2 . 27518 1 1253 . 1 1 119 119 VAL H H 1 8.91 0.02 . 1 . . . . . 119 VAL H . 27518 1 1254 . 1 1 119 119 VAL HA H 1 4.46 0.02 . 1 . . . . . 119 VAL HA . 27518 1 1255 . 1 1 119 119 VAL HB H 1 2.39 0.02 . 1 . . . . . 119 VAL HB . 27518 1 1256 . 1 1 119 119 VAL HG11 H 1 0.65 0.02 . 1 . . . . . 119 VAL HG1 . 27518 1 1257 . 1 1 119 119 VAL HG12 H 1 0.65 0.02 . 1 . . . . . 119 VAL HG1 . 27518 1 1258 . 1 1 119 119 VAL HG13 H 1 0.65 0.02 . 1 . . . . . 119 VAL HG1 . 27518 1 1259 . 1 1 119 119 VAL HG21 H 1 0.63 0.02 . 1 . . . . . 119 VAL HG2 . 27518 1 1260 . 1 1 119 119 VAL HG22 H 1 0.63 0.02 . 1 . . . . . 119 VAL HG2 . 27518 1 1261 . 1 1 119 119 VAL HG23 H 1 0.63 0.02 . 1 . . . . . 119 VAL HG2 . 27518 1 1262 . 1 1 119 119 VAL C C 13 174.4 0.2 . 1 . . . . . 119 VAL C . 27518 1 1263 . 1 1 119 119 VAL CA C 13 62.2 0.2 . 1 . . . . . 119 VAL CA . 27518 1 1264 . 1 1 119 119 VAL CB C 13 34.1 0.2 . 1 . . . . . 119 VAL CB . 27518 1 1265 . 1 1 119 119 VAL CG1 C 13 23.1 0.2 . 1 . . . . . 119 VAL CG1 . 27518 1 1266 . 1 1 119 119 VAL CG2 C 13 20 0.2 . 1 . . . . . 119 VAL CG2 . 27518 1 1267 . 1 1 119 119 VAL N N 15 128.3 0.2 . 1 . . . . . 119 VAL N . 27518 1 1268 . 1 1 120 120 THR H H 1 8.54 0.02 . 1 . . . . . 120 THR H . 27518 1 1269 . 1 1 120 120 THR HA H 1 4.61 0.02 . 1 . . . . . 120 THR HA . 27518 1 1270 . 1 1 120 120 THR HB H 1 3.87 0.02 . 1 . . . . . 120 THR HB . 27518 1 1271 . 1 1 120 120 THR HG21 H 1 1.12 0.02 . 1 . . . . . 120 THR HG2 . 27518 1 1272 . 1 1 120 120 THR HG22 H 1 1.12 0.02 . 1 . . . . . 120 THR HG2 . 27518 1 1273 . 1 1 120 120 THR HG23 H 1 1.12 0.02 . 1 . . . . . 120 THR HG2 . 27518 1 1274 . 1 1 120 120 THR C C 13 171.6 0.2 . 1 . . . . . 120 THR C . 27518 1 1275 . 1 1 120 120 THR CA C 13 62 0.2 . 1 . . . . . 120 THR CA . 27518 1 1276 . 1 1 120 120 THR CB C 13 70.5 0.2 . 1 . . . . . 120 THR CB . 27518 1 1277 . 1 1 120 120 THR CG2 C 13 22 0.2 . 1 . . . . . 120 THR CG2 . 27518 1 1278 . 1 1 120 120 THR N N 15 125.1 0.2 . 1 . . . . . 120 THR N . 27518 1 1279 . 1 1 121 121 VAL H H 1 8.47 0.02 . 1 . . . . . 121 VAL H . 27518 1 1280 . 1 1 121 121 VAL HA H 1 4.87 0.02 . 1 . . . . . 121 VAL HA . 27518 1 1281 . 1 1 121 121 VAL HB H 1 1.9 0.02 . 1 . . . . . 121 VAL HB . 27518 1 1282 . 1 1 121 121 VAL HG11 H 1 0.64 0.02 . 1 . . . . . 121 VAL HG1 . 27518 1 1283 . 1 1 121 121 VAL HG12 H 1 0.64 0.02 . 1 . . . . . 121 VAL HG1 . 27518 1 1284 . 1 1 121 121 VAL HG13 H 1 0.64 0.02 . 1 . . . . . 121 VAL HG1 . 27518 1 1285 . 1 1 121 121 VAL HG21 H 1 0.41 0.02 . 1 . . . . . 121 VAL HG2 . 27518 1 1286 . 1 1 121 121 VAL HG22 H 1 0.41 0.02 . 1 . . . . . 121 VAL HG2 . 27518 1 1287 . 1 1 121 121 VAL HG23 H 1 0.41 0.02 . 1 . . . . . 121 VAL HG2 . 27518 1 1288 . 1 1 121 121 VAL C C 13 175.8 0.2 . 1 . . . . . 121 VAL C . 27518 1 1289 . 1 1 121 121 VAL CA C 13 59.7 0.2 . 1 . . . . . 121 VAL CA . 27518 1 1290 . 1 1 121 121 VAL CB C 13 32.1 0.2 . 1 . . . . . 121 VAL CB . 27518 1 1291 . 1 1 121 121 VAL CG1 C 13 20.8 0.2 . 1 . . . . . 121 VAL CG1 . 27518 1 1292 . 1 1 121 121 VAL CG2 C 13 20.1 0.2 . 1 . . . . . 121 VAL CG2 . 27518 1 1293 . 1 1 121 121 VAL N N 15 127.9 0.2 . 1 . . . . . 121 VAL N . 27518 1 1294 . 1 1 122 122 SER H H 1 8.69 0.02 . 1 . . . . . 122 SER H . 27518 1 1295 . 1 1 122 122 SER HA H 1 4.56 0.02 . 1 . . . . . 122 SER HA . 27518 1 1296 . 1 1 122 122 SER HB2 H 1 3.72 0.02 . 1 . . . . . 122 SER HB2 . 27518 1 1297 . 1 1 122 122 SER HB3 H 1 3.72 0.02 . 1 . . . . . 122 SER HB3 . 27518 1 1298 . 1 1 122 122 SER C C 13 173.9 0.2 . 1 . . . . . 122 SER C . 27518 1 1299 . 1 1 122 122 SER CA C 13 57.3 0.2 . 1 . . . . . 122 SER CA . 27518 1 1300 . 1 1 122 122 SER CB C 13 65 0.2 . 1 . . . . . 122 SER CB . 27518 1 1301 . 1 1 122 122 SER N N 15 121.6 0.2 . 1 . . . . . 122 SER N . 27518 1 1302 . 1 1 123 123 SER H H 1 8.6 0.02 . 1 . . . . . 123 SER H . 27518 1 1303 . 1 1 123 123 SER HA H 1 4.52 0.02 . 1 . . . . . 123 SER HA . 27518 1 1304 . 1 1 123 123 SER HB2 H 1 3.88 0.02 . 1 . . . . . 123 SER HB2 . 27518 1 1305 . 1 1 123 123 SER HB3 H 1 3.88 0.02 . 1 . . . . . 123 SER HB3 . 27518 1 1306 . 1 1 123 123 SER C C 13 174.6 0.2 . 1 . . . . . 123 SER C . 27518 1 1307 . 1 1 123 123 SER CA C 13 58.2 0.2 . 1 . . . . . 123 SER CA . 27518 1 1308 . 1 1 123 123 SER CB C 13 64.1 0.2 . 1 . . . . . 123 SER CB . 27518 1 1309 . 1 1 123 123 SER N N 15 117.5 0.2 . 1 . . . . . 123 SER N . 27518 1 1310 . 1 1 124 124 LEU H H 1 8.5 0.02 . 1 . . . . . 124 LEU H . 27518 1 1311 . 1 1 124 124 LEU HA H 1 4.3 0.02 . 1 . . . . . 124 LEU HA . 27518 1 1312 . 1 1 124 124 LEU HB2 H 1 1.55 0.02 . 1 . . . . . 124 LEU HB2 . 27518 1 1313 . 1 1 124 124 LEU HB3 H 1 1.55 0.02 . 1 . . . . . 124 LEU HB3 . 27518 1 1314 . 1 1 124 124 LEU C C 13 177.2 0.2 . 1 . . . . . 124 LEU C . 27518 1 1315 . 1 1 124 124 LEU CA C 13 55.6 0.2 . 1 . . . . . 124 LEU CA . 27518 1 1316 . 1 1 124 124 LEU CB C 13 42.3 0.2 . 1 . . . . . 124 LEU CB . 27518 1 1317 . 1 1 124 124 LEU N N 15 123.8 0.2 . 1 . . . . . 124 LEU N . 27518 1 1318 . 1 1 125 125 GLU H H 1 8.44 0.02 . 1 . . . . . 125 GLU H . 27518 1 1319 . 1 1 125 125 GLU HA H 1 4.17 0.02 . 1 . . . . . 125 GLU HA . 27518 1 1320 . 1 1 125 125 GLU HB2 H 1 1.85 0.02 . 1 . . . . . 125 GLU HB2 . 27518 1 1321 . 1 1 125 125 GLU HB3 H 1 1.85 0.02 . 1 . . . . . 125 GLU HB3 . 27518 1 1322 . 1 1 125 125 GLU C C 13 176.1 0.2 . 1 . . . . . 125 GLU C . 27518 1 1323 . 1 1 125 125 GLU CA C 13 56.8 0.2 . 1 . . . . . 125 GLU CA . 27518 1 1324 . 1 1 125 125 GLU CB C 13 30.3 0.2 . 1 . . . . . 125 GLU CB . 27518 1 1325 . 1 1 125 125 GLU N N 15 120.8 0.2 . 1 . . . . . 125 GLU N . 27518 1 1326 . 1 1 126 126 HIS H H 1 8.11 0.02 . 1 . . . . . 126 HIS H . 27518 1 1327 . 1 1 126 126 HIS HA H 1 4.57 0.02 . 1 . . . . . 126 HIS HA . 27518 1 1328 . 1 1 126 126 HIS HB2 H 1 3.06 0.02 . 1 . . . . . 126 HIS HB2 . 27518 1 1329 . 1 1 126 126 HIS HB3 H 1 2.97 0.02 . 1 . . . . . 126 HIS HB3 . 27518 1 1330 . 1 1 126 126 HIS C C 13 175.1 0.2 . 1 . . . . . 126 HIS C . 27518 1 1331 . 1 1 126 126 HIS CA C 13 56.2 0.2 . 1 . . . . . 126 HIS CA . 27518 1 1332 . 1 1 126 126 HIS CB C 13 31.1 0.2 . 1 . . . . . 126 HIS CB . 27518 1 1333 . 1 1 126 126 HIS N N 15 119.8 0.2 . 1 . . . . . 126 HIS N . 27518 1 1334 . 1 1 127 127 HIS H H 1 7.83 0.02 . 1 . . . . . 127 HIS H . 27518 1 1335 . 1 1 127 127 HIS C C 13 179.5 0.2 . 1 . . . . . 127 HIS C . 27518 1 1336 . 1 1 127 127 HIS CA C 13 57.6 0.2 . 1 . . . . . 127 HIS CA . 27518 1 1337 . 1 1 127 127 HIS CB C 13 30.6 0.2 . 1 . . . . . 127 HIS CB . 27518 1 1338 . 1 1 127 127 HIS N N 15 125.6 0.2 . 1 . . . . . 127 HIS N . 27518 1 stop_ save_