data_34511 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34511 _Entry.Title ; The N-terminal RNA-binding domain of the SARS-CoV-2 nucleocapsid phosphoprotein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-31 _Entry.Accession_date 2020-03-31 _Entry.Last_release_date 2020-04-02 _Entry.Original_release_date 2020-04-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34511 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 V. Veverka V. . . . 34511 2 E. Boura E. . . . 34511 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID COVID-19 . 34511 MERS . 34511 'RNA-binding domain' . 34511 SARS . 34511 'VIRAL PROTEIN' . 34511 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34511 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 574 34511 '15N chemical shifts' 151 34511 '1H chemical shifts' 940 34511 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 . . 2021-09-09 2020-03-31 update BMRB 'update entry citation' 34511 1 . . 2020-04-06 2020-03-31 original author 'original release' 34511 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6YI3 . 34511 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34511 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33264373 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis of RNA recognition by the SARS-CoV-2 nucleocapsid phosphoprotein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Pathog.' _Citation.Journal_name_full 'PLoS pathogens' _Citation.Journal_volume 16 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1553-7374 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e1009100 _Citation.Page_last e1009100 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Dhurvas Chandrasekaran' Dinesh D. C. . . 34511 1 2 Dominika Chalupska D. . . . 34511 1 3 Jan Silhan J. . . . 34511 1 4 Eliska Koutna E. . . . 34511 1 5 Radim Nencka R. . . . 34511 1 6 Vaclav Veverka V. . . . 34511 1 7 Evzen Boura E. . . . 34511 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34511 _Assembly.ID 1 _Assembly.Name N-NTD _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34511 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34511 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGLPNNTASWFTALTQHG KEDLKFPRGQGVPINTNSSP DDQIGYYRRATRRIRGGDGK MKDLSPRWYFYYLGTGPEAG LPYGANKDGIIWVATEGALN TPKDHIGTRNPANNAAIVLQ LPQGTTLPKGFYAEGSRGGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15129.853 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34511 1 2 . ALA . 34511 1 3 . MET . 34511 1 4 . GLY . 34511 1 5 . LEU . 34511 1 6 . PRO . 34511 1 7 . ASN . 34511 1 8 . ASN . 34511 1 9 . THR . 34511 1 10 . ALA . 34511 1 11 . SER . 34511 1 12 . TRP . 34511 1 13 . PHE . 34511 1 14 . THR . 34511 1 15 . ALA . 34511 1 16 . LEU . 34511 1 17 . THR . 34511 1 18 . GLN . 34511 1 19 . HIS . 34511 1 20 . GLY . 34511 1 21 . LYS . 34511 1 22 . GLU . 34511 1 23 . ASP . 34511 1 24 . LEU . 34511 1 25 . LYS . 34511 1 26 . PHE . 34511 1 27 . PRO . 34511 1 28 . ARG . 34511 1 29 . GLY . 34511 1 30 . GLN . 34511 1 31 . GLY . 34511 1 32 . VAL . 34511 1 33 . PRO . 34511 1 34 . ILE . 34511 1 35 . ASN . 34511 1 36 . THR . 34511 1 37 . ASN . 34511 1 38 . SER . 34511 1 39 . SER . 34511 1 40 . PRO . 34511 1 41 . ASP . 34511 1 42 . ASP . 34511 1 43 . GLN . 34511 1 44 . ILE . 34511 1 45 . GLY . 34511 1 46 . TYR . 34511 1 47 . TYR . 34511 1 48 . ARG . 34511 1 49 . ARG . 34511 1 50 . ALA . 34511 1 51 . THR . 34511 1 52 . ARG . 34511 1 53 . ARG . 34511 1 54 . ILE . 34511 1 55 . ARG . 34511 1 56 . GLY . 34511 1 57 . GLY . 34511 1 58 . ASP . 34511 1 59 . GLY . 34511 1 60 . LYS . 34511 1 61 . MET . 34511 1 62 . LYS . 34511 1 63 . ASP . 34511 1 64 . LEU . 34511 1 65 . SER . 34511 1 66 . PRO . 34511 1 67 . ARG . 34511 1 68 . TRP . 34511 1 69 . TYR . 34511 1 70 . PHE . 34511 1 71 . TYR . 34511 1 72 . TYR . 34511 1 73 . LEU . 34511 1 74 . GLY . 34511 1 75 . THR . 34511 1 76 . GLY . 34511 1 77 . PRO . 34511 1 78 . GLU . 34511 1 79 . ALA . 34511 1 80 . GLY . 34511 1 81 . LEU . 34511 1 82 . PRO . 34511 1 83 . TYR . 34511 1 84 . GLY . 34511 1 85 . ALA . 34511 1 86 . ASN . 34511 1 87 . LYS . 34511 1 88 . ASP . 34511 1 89 . GLY . 34511 1 90 . ILE . 34511 1 91 . ILE . 34511 1 92 . TRP . 34511 1 93 . VAL . 34511 1 94 . ALA . 34511 1 95 . THR . 34511 1 96 . GLU . 34511 1 97 . GLY . 34511 1 98 . ALA . 34511 1 99 . LEU . 34511 1 100 . ASN . 34511 1 101 . THR . 34511 1 102 . PRO . 34511 1 103 . LYS . 34511 1 104 . ASP . 34511 1 105 . HIS . 34511 1 106 . ILE . 34511 1 107 . GLY . 34511 1 108 . THR . 34511 1 109 . ARG . 34511 1 110 . ASN . 34511 1 111 . PRO . 34511 1 112 . ALA . 34511 1 113 . ASN . 34511 1 114 . ASN . 34511 1 115 . ALA . 34511 1 116 . ALA . 34511 1 117 . ILE . 34511 1 118 . VAL . 34511 1 119 . LEU . 34511 1 120 . GLN . 34511 1 121 . LEU . 34511 1 122 . PRO . 34511 1 123 . GLN . 34511 1 124 . GLY . 34511 1 125 . THR . 34511 1 126 . THR . 34511 1 127 . LEU . 34511 1 128 . PRO . 34511 1 129 . LYS . 34511 1 130 . GLY . 34511 1 131 . PHE . 34511 1 132 . TYR . 34511 1 133 . ALA . 34511 1 134 . GLU . 34511 1 135 . GLY . 34511 1 136 . SER . 34511 1 137 . ARG . 34511 1 138 . GLY . 34511 1 139 . GLY . 34511 1 140 . SER . 34511 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34511 1 . ALA 2 2 34511 1 . MET 3 3 34511 1 . GLY 4 4 34511 1 . LEU 5 5 34511 1 . PRO 6 6 34511 1 . ASN 7 7 34511 1 . ASN 8 8 34511 1 . THR 9 9 34511 1 . ALA 10 10 34511 1 . SER 11 11 34511 1 . TRP 12 12 34511 1 . PHE 13 13 34511 1 . THR 14 14 34511 1 . ALA 15 15 34511 1 . LEU 16 16 34511 1 . THR 17 17 34511 1 . GLN 18 18 34511 1 . HIS 19 19 34511 1 . GLY 20 20 34511 1 . LYS 21 21 34511 1 . GLU 22 22 34511 1 . ASP 23 23 34511 1 . LEU 24 24 34511 1 . LYS 25 25 34511 1 . PHE 26 26 34511 1 . PRO 27 27 34511 1 . ARG 28 28 34511 1 . GLY 29 29 34511 1 . GLN 30 30 34511 1 . GLY 31 31 34511 1 . VAL 32 32 34511 1 . PRO 33 33 34511 1 . ILE 34 34 34511 1 . ASN 35 35 34511 1 . THR 36 36 34511 1 . ASN 37 37 34511 1 . SER 38 38 34511 1 . SER 39 39 34511 1 . PRO 40 40 34511 1 . ASP 41 41 34511 1 . ASP 42 42 34511 1 . GLN 43 43 34511 1 . ILE 44 44 34511 1 . GLY 45 45 34511 1 . TYR 46 46 34511 1 . TYR 47 47 34511 1 . ARG 48 48 34511 1 . ARG 49 49 34511 1 . ALA 50 50 34511 1 . THR 51 51 34511 1 . ARG 52 52 34511 1 . ARG 53 53 34511 1 . ILE 54 54 34511 1 . ARG 55 55 34511 1 . GLY 56 56 34511 1 . GLY 57 57 34511 1 . ASP 58 58 34511 1 . GLY 59 59 34511 1 . LYS 60 60 34511 1 . MET 61 61 34511 1 . LYS 62 62 34511 1 . ASP 63 63 34511 1 . LEU 64 64 34511 1 . SER 65 65 34511 1 . PRO 66 66 34511 1 . ARG 67 67 34511 1 . TRP 68 68 34511 1 . TYR 69 69 34511 1 . PHE 70 70 34511 1 . TYR 71 71 34511 1 . TYR 72 72 34511 1 . LEU 73 73 34511 1 . GLY 74 74 34511 1 . THR 75 75 34511 1 . GLY 76 76 34511 1 . PRO 77 77 34511 1 . GLU 78 78 34511 1 . ALA 79 79 34511 1 . GLY 80 80 34511 1 . LEU 81 81 34511 1 . PRO 82 82 34511 1 . TYR 83 83 34511 1 . GLY 84 84 34511 1 . ALA 85 85 34511 1 . ASN 86 86 34511 1 . LYS 87 87 34511 1 . ASP 88 88 34511 1 . GLY 89 89 34511 1 . ILE 90 90 34511 1 . ILE 91 91 34511 1 . TRP 92 92 34511 1 . VAL 93 93 34511 1 . ALA 94 94 34511 1 . THR 95 95 34511 1 . GLU 96 96 34511 1 . GLY 97 97 34511 1 . ALA 98 98 34511 1 . LEU 99 99 34511 1 . ASN 100 100 34511 1 . THR 101 101 34511 1 . PRO 102 102 34511 1 . LYS 103 103 34511 1 . ASP 104 104 34511 1 . HIS 105 105 34511 1 . ILE 106 106 34511 1 . GLY 107 107 34511 1 . THR 108 108 34511 1 . ARG 109 109 34511 1 . ASN 110 110 34511 1 . PRO 111 111 34511 1 . ALA 112 112 34511 1 . ASN 113 113 34511 1 . ASN 114 114 34511 1 . ALA 115 115 34511 1 . ALA 116 116 34511 1 . ILE 117 117 34511 1 . VAL 118 118 34511 1 . LEU 119 119 34511 1 . GLN 120 120 34511 1 . LEU 121 121 34511 1 . PRO 122 122 34511 1 . GLN 123 123 34511 1 . GLY 124 124 34511 1 . THR 125 125 34511 1 . THR 126 126 34511 1 . LEU 127 127 34511 1 . PRO 128 128 34511 1 . LYS 129 129 34511 1 . GLY 130 130 34511 1 . PHE 131 131 34511 1 . TYR 132 132 34511 1 . ALA 133 133 34511 1 . GLU 134 134 34511 1 . GLY 135 135 34511 1 . SER 136 136 34511 1 . ARG 137 137 34511 1 . GLY 138 138 34511 1 . GLY 139 139 34511 1 . SER 140 140 34511 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 34511 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 2697049 organism . 'Severe acute respiratory syndrome coronavirus 2' 'COVID-19 virus' . . Viruses . Betacoronavirus COVID-19 . . . . . . . . . . . . . 34511 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 34511 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34511 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34511 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] N-NTD, 25 mM sodium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 N-NTD '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 1 . . mM . . . . 34511 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34511 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34511 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34511 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 125 . mM 34511 1 pH 6.5 . pH 34511 1 pressure 1 . atm 34511 1 temperature 298 . K 34511 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34511 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34511 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34511 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34511 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34511 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34511 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34511 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34511 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34511 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34511 _Software.ID 4 _Software.Type . _Software.Name YASARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID YASARA . . 34511 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34511 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34511 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 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 34511 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 850 . . . 34511 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 34511 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34511 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34511 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34511 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34511 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34511 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34511 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34511 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34511 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34511 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34511 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34511 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34511 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34511 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34511 1 2 '2D 1H-13C HSQC' . . . 34511 1 3 '3D HNCO' . . . 34511 1 4 '3D HNCACB' . . . 34511 1 5 '3D CBCA(CO)NH' . . . 34511 1 6 '3D 1H-15N NOESY' . . . 34511 1 7 '3D 1H-13C NOESY' . . . 34511 1 8 '3D HCCH-TOCSY' . . . 34511 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.830 0.000 . . . . . . A 1 GLY HA2 . 34511 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.830 0.000 . . . . . . A 1 GLY HA3 . 34511 1 3 . 1 . 1 1 1 GLY C C 13 179.457 0.003 . . . . . . A 1 GLY C . 34511 1 4 . 1 . 1 1 1 GLY CA C 13 43.365 0.035 . . . . . . A 1 GLY CA . 34511 1 5 . 1 . 1 2 2 ALA H H 1 8.596 0.002 . . . . . . A 2 ALA H . 34511 1 6 . 1 . 1 2 2 ALA HA H 1 4.345 0.000 . . . . . . A 2 ALA HA . 34511 1 7 . 1 . 1 2 2 ALA HB1 H 1 1.375 0.000 . . . . . . A 2 ALA HB1 . 34511 1 8 . 1 . 1 2 2 ALA HB2 H 1 1.375 0.000 . . . . . . A 2 ALA HB2 . 34511 1 9 . 1 . 1 2 2 ALA HB3 H 1 1.375 0.000 . . . . . . A 2 ALA HB3 . 34511 1 10 . 1 . 1 2 2 ALA C C 13 177.766 0.006 . . . . . . A 2 ALA C . 34511 1 11 . 1 . 1 2 2 ALA CA C 13 52.621 0.023 . . . . . . A 2 ALA CA . 34511 1 12 . 1 . 1 2 2 ALA CB C 13 19.383 0.012 . . . . . . A 2 ALA CB . 34511 1 13 . 1 . 1 2 2 ALA N N 15 123.828 0.003 . . . . . . A 2 ALA N . 34511 1 14 . 1 . 1 3 3 MET H H 1 8.503 0.001 . . . . . . A 3 MET H . 34511 1 15 . 1 . 1 3 3 MET HA H 1 4.459 0.000 . . . . . . A 3 MET HA . 34511 1 16 . 1 . 1 3 3 MET HB2 H 1 2.086 0.000 . . . . . . A 3 MET HB2 . 34511 1 17 . 1 . 1 3 3 MET HB3 H 1 2.013 0.000 . . . . . . A 3 MET HB3 . 34511 1 18 . 1 . 1 3 3 MET HG2 H 1 2.547 0.000 . . . . . . A 3 MET HG2 . 34511 1 19 . 1 . 1 3 3 MET HG3 H 1 2.614 0.000 . . . . . . A 3 MET HG3 . 34511 1 20 . 1 . 1 3 3 MET HE1 H 1 2.082 0.000 . . . . . . A 3 MET HE1 . 34511 1 21 . 1 . 1 3 3 MET HE2 H 1 2.082 0.000 . . . . . . A 3 MET HE2 . 34511 1 22 . 1 . 1 3 3 MET HE3 H 1 2.082 0.000 . . . . . . A 3 MET HE3 . 34511 1 23 . 1 . 1 3 3 MET C C 13 176.610 0.005 . . . . . . A 3 MET C . 34511 1 24 . 1 . 1 3 3 MET CA C 13 55.565 0.039 . . . . . . A 3 MET CA . 34511 1 25 . 1 . 1 3 3 MET CB C 13 32.871 0.027 . . . . . . A 3 MET CB . 34511 1 26 . 1 . 1 3 3 MET CG C 13 32.009 0.033 . . . . . . A 3 MET CG . 34511 1 27 . 1 . 1 3 3 MET CE C 13 16.929 0.000 . . . . . . A 3 MET CE . 34511 1 28 . 1 . 1 3 3 MET N N 15 119.860 0.004 . . . . . . A 3 MET N . 34511 1 29 . 1 . 1 4 4 GLY H H 1 8.355 0.001 . . . . . . A 4 GLY H . 34511 1 30 . 1 . 1 4 4 GLY HA2 H 1 3.872 0.000 . . . . . . A 4 GLY HA2 . 34511 1 31 . 1 . 1 4 4 GLY HA3 H 1 3.944 0.000 . . . . . . A 4 GLY HA3 . 34511 1 32 . 1 . 1 4 4 GLY C C 13 173.669 0.004 . . . . . . A 4 GLY C . 34511 1 33 . 1 . 1 4 4 GLY CA C 13 45.087 0.036 . . . . . . A 4 GLY CA . 34511 1 34 . 1 . 1 4 4 GLY N N 15 110.071 0.002 . . . . . . A 4 GLY N . 34511 1 35 . 1 . 1 5 5 LEU H H 1 8.096 0.001 . . . . . . A 5 LEU H . 34511 1 36 . 1 . 1 5 5 LEU HA H 1 4.592 0.000 . . . . . . A 5 LEU HA . 34511 1 37 . 1 . 1 5 5 LEU HB2 H 1 1.528 0.001 . . . . . . A 5 LEU HB2 . 34511 1 38 . 1 . 1 5 5 LEU HB3 H 1 1.576 0.000 . . . . . . A 5 LEU HB3 . 34511 1 39 . 1 . 1 5 5 LEU HG H 1 1.635 0.000 . . . . . . A 5 LEU HG . 34511 1 40 . 1 . 1 5 5 LEU HD11 H 1 0.911 0.000 . . . . . . A 5 LEU HD11 . 34511 1 41 . 1 . 1 5 5 LEU HD12 H 1 0.911 0.000 . . . . . . A 5 LEU HD12 . 34511 1 42 . 1 . 1 5 5 LEU HD13 H 1 0.911 0.000 . . . . . . A 5 LEU HD13 . 34511 1 43 . 1 . 1 5 5 LEU HD21 H 1 0.887 0.000 . . . . . . A 5 LEU HD21 . 34511 1 44 . 1 . 1 5 5 LEU HD22 H 1 0.887 0.000 . . . . . . A 5 LEU HD22 . 34511 1 45 . 1 . 1 5 5 LEU HD23 H 1 0.887 0.000 . . . . . . A 5 LEU HD23 . 34511 1 46 . 1 . 1 5 5 LEU C C 13 175.618 0.000 . . . . . . A 5 LEU C . 34511 1 47 . 1 . 1 5 5 LEU CA C 13 53.065 0.000 . . . . . . A 5 LEU CA . 34511 1 48 . 1 . 1 5 5 LEU CB C 13 41.685 0.026 . . . . . . A 5 LEU CB . 34511 1 49 . 1 . 1 5 5 LEU CG C 13 27.023 0.027 . . . . . . A 5 LEU CG . 34511 1 50 . 1 . 1 5 5 LEU CD1 C 13 25.272 0.023 . . . . . . A 5 LEU CD1 . 34511 1 51 . 1 . 1 5 5 LEU CD2 C 13 23.300 0.010 . . . . . . A 5 LEU CD2 . 34511 1 52 . 1 . 1 5 5 LEU N N 15 122.882 0.002 . . . . . . A 5 LEU N . 34511 1 53 . 1 . 1 6 6 PRO HG2 H 1 1.784 0.000 . . . . . . A 6 PRO HG2 . 34511 1 54 . 1 . 1 6 6 PRO HG3 H 1 1.912 0.000 . . . . . . A 6 PRO HG3 . 34511 1 55 . 1 . 1 6 6 PRO HD2 H 1 3.788 0.000 . . . . . . A 6 PRO HD2 . 34511 1 56 . 1 . 1 6 6 PRO HD3 H 1 3.788 0.000 . . . . . . A 6 PRO HD3 . 34511 1 57 . 1 . 1 6 6 PRO C C 13 176.689 0.000 . . . . . . A 6 PRO C . 34511 1 58 . 1 . 1 6 6 PRO CA C 13 63.175 0.254 . . . . . . A 6 PRO CA . 34511 1 59 . 1 . 1 6 6 PRO CB C 13 31.930 0.009 . . . . . . A 6 PRO CB . 34511 1 60 . 1 . 1 6 6 PRO CG C 13 24.590 0.021 . . . . . . A 6 PRO CG . 34511 1 61 . 1 . 1 6 6 PRO CD C 13 50.295 0.132 . . . . . . A 6 PRO CD . 34511 1 62 . 1 . 1 7 7 ASN H H 1 8.438 0.001 . . . . . . A 7 ASN H . 34511 1 63 . 1 . 1 7 7 ASN HA H 1 4.662 0.000 . . . . . . A 7 ASN HA . 34511 1 64 . 1 . 1 7 7 ASN HB2 H 1 2.729 0.000 . . . . . . A 7 ASN HB2 . 34511 1 65 . 1 . 1 7 7 ASN HB3 H 1 2.797 0.000 . . . . . . A 7 ASN HB3 . 34511 1 66 . 1 . 1 7 7 ASN CA C 13 53.329 0.167 . . . . . . A 7 ASN CA . 34511 1 67 . 1 . 1 7 7 ASN CB C 13 38.812 0.016 . . . . . . A 7 ASN CB . 34511 1 68 . 1 . 1 7 7 ASN N N 15 118.208 0.005 . . . . . . A 7 ASN N . 34511 1 69 . 1 . 1 8 8 ASN H H 1 8.286 0.002 . . . . . . A 8 ASN H . 34511 1 70 . 1 . 1 8 8 ASN HA H 1 4.735 0.000 . . . . . . A 8 ASN HA . 34511 1 71 . 1 . 1 8 8 ASN HB2 H 1 2.711 0.000 . . . . . . A 8 ASN HB2 . 34511 1 72 . 1 . 1 8 8 ASN HB3 H 1 2.711 0.000 . . . . . . A 8 ASN HB3 . 34511 1 73 . 1 . 1 8 8 ASN C C 13 175.092 0.001 . . . . . . A 8 ASN C . 34511 1 74 . 1 . 1 8 8 ASN CA C 13 53.077 0.070 . . . . . . A 8 ASN CA . 34511 1 75 . 1 . 1 8 8 ASN CB C 13 38.422 0.046 . . . . . . A 8 ASN CB . 34511 1 76 . 1 . 1 8 8 ASN N N 15 119.388 0.006 . . . . . . A 8 ASN N . 34511 1 77 . 1 . 1 9 9 THR H H 1 7.808 0.001 . . . . . . A 9 THR H . 34511 1 78 . 1 . 1 9 9 THR HA H 1 4.414 0.000 . . . . . . A 9 THR HA . 34511 1 79 . 1 . 1 9 9 THR HB H 1 4.167 0.000 . . . . . . A 9 THR HB . 34511 1 80 . 1 . 1 9 9 THR HG21 H 1 1.073 0.000 . . . . . . A 9 THR HG21 . 34511 1 81 . 1 . 1 9 9 THR HG22 H 1 1.073 0.000 . . . . . . A 9 THR HG22 . 34511 1 82 . 1 . 1 9 9 THR HG23 H 1 1.073 0.000 . . . . . . A 9 THR HG23 . 34511 1 83 . 1 . 1 9 9 THR C C 13 173.890 0.005 . . . . . . A 9 THR C . 34511 1 84 . 1 . 1 9 9 THR CA C 13 60.970 0.056 . . . . . . A 9 THR CA . 34511 1 85 . 1 . 1 9 9 THR CB C 13 70.523 0.032 . . . . . . A 9 THR CB . 34511 1 86 . 1 . 1 9 9 THR CG2 C 13 21.456 0.072 . . . . . . A 9 THR CG2 . 34511 1 87 . 1 . 1 9 9 THR N N 15 110.685 0.004 . . . . . . A 9 THR N . 34511 1 88 . 1 . 1 10 10 ALA H H 1 8.471 0.002 . . . . . . A 10 ALA H . 34511 1 89 . 1 . 1 10 10 ALA HA H 1 4.519 0.000 . . . . . . A 10 ALA HA . 34511 1 90 . 1 . 1 10 10 ALA HB1 H 1 1.247 0.000 . . . . . . A 10 ALA HB1 . 34511 1 91 . 1 . 1 10 10 ALA HB2 H 1 1.247 0.000 . . . . . . A 10 ALA HB2 . 34511 1 92 . 1 . 1 10 10 ALA HB3 H 1 1.247 0.000 . . . . . . A 10 ALA HB3 . 34511 1 93 . 1 . 1 10 10 ALA C C 13 176.299 0.005 . . . . . . A 10 ALA C . 34511 1 94 . 1 . 1 10 10 ALA CA C 13 51.611 0.014 . . . . . . A 10 ALA CA . 34511 1 95 . 1 . 1 10 10 ALA CB C 13 20.616 0.040 . . . . . . A 10 ALA CB . 34511 1 96 . 1 . 1 10 10 ALA N N 15 126.733 0.008 . . . . . . A 10 ALA N . 34511 1 97 . 1 . 1 11 11 SER H H 1 8.219 0.001 . . . . . . A 11 SER H . 34511 1 98 . 1 . 1 11 11 SER HA H 1 4.183 0.000 . . . . . . A 11 SER HA . 34511 1 99 . 1 . 1 11 11 SER HB2 H 1 3.819 0.000 . . . . . . A 11 SER HB2 . 34511 1 100 . 1 . 1 11 11 SER HB3 H 1 3.364 0.002 . . . . . . A 11 SER HB3 . 34511 1 101 . 1 . 1 11 11 SER C C 13 176.644 0.000 . . . . . . A 11 SER C . 34511 1 102 . 1 . 1 11 11 SER CA C 13 57.685 0.041 . . . . . . A 11 SER CA . 34511 1 103 . 1 . 1 11 11 SER CB C 13 63.332 0.020 . . . . . . A 11 SER CB . 34511 1 104 . 1 . 1 11 11 SER N N 15 113.800 0.018 . . . . . . A 11 SER N . 34511 1 105 . 1 . 1 12 12 TRP H H 1 10.102 0.002 . . . . . . A 12 TRP H . 34511 1 106 . 1 . 1 12 12 TRP HA H 1 3.869 0.001 . . . . . . A 12 TRP HA . 34511 1 107 . 1 . 1 12 12 TRP HB2 H 1 2.882 0.000 . . . . . . A 12 TRP HB2 . 34511 1 108 . 1 . 1 12 12 TRP HB3 H 1 2.537 0.000 . . . . . . A 12 TRP HB3 . 34511 1 109 . 1 . 1 12 12 TRP HD1 H 1 7.309 0.000 . . . . . . A 12 TRP HD1 . 34511 1 110 . 1 . 1 12 12 TRP HE1 H 1 8.586 0.000 . . . . . . A 12 TRP HE1 . 34511 1 111 . 1 . 1 12 12 TRP HE3 H 1 7.582 0.000 . . . . . . A 12 TRP HE3 . 34511 1 112 . 1 . 1 12 12 TRP HZ2 H 1 7.524 0.000 . . . . . . A 12 TRP HZ2 . 34511 1 113 . 1 . 1 12 12 TRP HZ3 H 1 6.964 0.000 . . . . . . A 12 TRP HZ3 . 34511 1 114 . 1 . 1 12 12 TRP HH2 H 1 7.152 0.000 . . . . . . A 12 TRP HH2 . 34511 1 115 . 1 . 1 12 12 TRP C C 13 173.956 0.002 . . . . . . A 12 TRP C . 34511 1 116 . 1 . 1 12 12 TRP CA C 13 61.262 0.018 . . . . . . A 12 TRP CA . 34511 1 117 . 1 . 1 12 12 TRP CB C 13 29.908 0.029 . . . . . . A 12 TRP CB . 34511 1 118 . 1 . 1 12 12 TRP CD1 C 13 125.132 0.000 . . . . . . A 12 TRP CD1 . 34511 1 119 . 1 . 1 12 12 TRP CE3 C 13 119.852 0.000 . . . . . . A 12 TRP CE3 . 34511 1 120 . 1 . 1 12 12 TRP CZ2 C 13 115.561 0.000 . . . . . . A 12 TRP CZ2 . 34511 1 121 . 1 . 1 12 12 TRP CZ3 C 13 121.893 0.000 . . . . . . A 12 TRP CZ3 . 34511 1 122 . 1 . 1 12 12 TRP CH2 C 13 125.062 0.000 . . . . . . A 12 TRP CH2 . 34511 1 123 . 1 . 1 12 12 TRP N N 15 127.810 0.004 . . . . . . A 12 TRP N . 34511 1 124 . 1 . 1 12 12 TRP NE1 N 15 127.250 0.000 . . . . . . A 12 TRP NE1 . 34511 1 125 . 1 . 1 13 13 PHE H H 1 8.205 0.003 . . . . . . A 13 PHE H . 34511 1 126 . 1 . 1 13 13 PHE HA H 1 6.132 0.000 . . . . . . A 13 PHE HA . 34511 1 127 . 1 . 1 13 13 PHE HB2 H 1 3.307 0.000 . . . . . . A 13 PHE HB2 . 34511 1 128 . 1 . 1 13 13 PHE HB3 H 1 3.252 0.000 . . . . . . A 13 PHE HB3 . 34511 1 129 . 1 . 1 13 13 PHE HD1 H 1 7.103 0.000 . . . . . . A 13 PHE HD1 . 34511 1 130 . 1 . 1 13 13 PHE HD2 H 1 7.103 0.000 . . . . . . A 13 PHE HD2 . 34511 1 131 . 1 . 1 13 13 PHE HE1 H 1 7.353 0.000 . . . . . . A 13 PHE HE1 . 34511 1 132 . 1 . 1 13 13 PHE HE2 H 1 7.353 0.000 . . . . . . A 13 PHE HE2 . 34511 1 133 . 1 . 1 13 13 PHE HZ H 1 7.356 0.000 . . . . . . A 13 PHE HZ . 34511 1 134 . 1 . 1 13 13 PHE C C 13 177.886 0.006 . . . . . . A 13 PHE C . 34511 1 135 . 1 . 1 13 13 PHE CA C 13 55.596 0.006 . . . . . . A 13 PHE CA . 34511 1 136 . 1 . 1 13 13 PHE CB C 13 43.764 0.036 . . . . . . A 13 PHE CB . 34511 1 137 . 1 . 1 13 13 PHE CD1 C 13 132.771 0.000 . . . . . . A 13 PHE CD1 . 34511 1 138 . 1 . 1 13 13 PHE CE1 C 13 131.775 0.000 . . . . . . A 13 PHE CE1 . 34511 1 139 . 1 . 1 13 13 PHE CZ C 13 129.398 0.000 . . . . . . A 13 PHE CZ . 34511 1 140 . 1 . 1 13 13 PHE N N 15 113.902 0.015 . . . . . . A 13 PHE N . 34511 1 141 . 1 . 1 14 14 THR H H 1 8.171 0.002 . . . . . . A 14 THR H . 34511 1 142 . 1 . 1 14 14 THR HA H 1 4.345 0.000 . . . . . . A 14 THR HA . 34511 1 143 . 1 . 1 14 14 THR HB H 1 4.675 0.000 . . . . . . A 14 THR HB . 34511 1 144 . 1 . 1 14 14 THR HG1 H 1 6.337 0.000 . . . . . . A 14 THR HG1 . 34511 1 145 . 1 . 1 14 14 THR HG21 H 1 1.220 0.001 . . . . . . A 14 THR HG21 . 34511 1 146 . 1 . 1 14 14 THR HG22 H 1 1.220 0.001 . . . . . . A 14 THR HG22 . 34511 1 147 . 1 . 1 14 14 THR HG23 H 1 1.220 0.001 . . . . . . A 14 THR HG23 . 34511 1 148 . 1 . 1 14 14 THR C C 13 173.140 0.004 . . . . . . A 14 THR C . 34511 1 149 . 1 . 1 14 14 THR CA C 13 62.137 0.050 . . . . . . A 14 THR CA . 34511 1 150 . 1 . 1 14 14 THR CB C 13 70.120 0.174 . . . . . . A 14 THR CB . 34511 1 151 . 1 . 1 14 14 THR CG2 C 13 23.759 0.053 . . . . . . A 14 THR CG2 . 34511 1 152 . 1 . 1 14 14 THR N N 15 111.832 0.008 . . . . . . A 14 THR N . 34511 1 153 . 1 . 1 15 15 ALA H H 1 8.249 0.002 . . . . . . A 15 ALA H . 34511 1 154 . 1 . 1 15 15 ALA HA H 1 4.232 0.000 . . . . . . A 15 ALA HA . 34511 1 155 . 1 . 1 15 15 ALA HB1 H 1 0.791 0.000 . . . . . . A 15 ALA HB1 . 34511 1 156 . 1 . 1 15 15 ALA HB2 H 1 0.791 0.000 . . . . . . A 15 ALA HB2 . 34511 1 157 . 1 . 1 15 15 ALA HB3 H 1 0.791 0.000 . . . . . . A 15 ALA HB3 . 34511 1 158 . 1 . 1 15 15 ALA C C 13 178.862 0.007 . . . . . . A 15 ALA C . 34511 1 159 . 1 . 1 15 15 ALA CA C 13 51.891 0.052 . . . . . . A 15 ALA CA . 34511 1 160 . 1 . 1 15 15 ALA CB C 13 20.275 0.019 . . . . . . A 15 ALA CB . 34511 1 161 . 1 . 1 15 15 ALA N N 15 118.441 0.003 . . . . . . A 15 ALA N . 34511 1 162 . 1 . 1 16 16 LEU H H 1 8.618 0.002 . . . . . . A 16 LEU H . 34511 1 163 . 1 . 1 16 16 LEU HA H 1 5.019 0.000 . . . . . . A 16 LEU HA . 34511 1 164 . 1 . 1 16 16 LEU HB2 H 1 1.779 0.003 . . . . . . A 16 LEU HB2 . 34511 1 165 . 1 . 1 16 16 LEU HB3 H 1 1.456 0.000 . . . . . . A 16 LEU HB3 . 34511 1 166 . 1 . 1 16 16 LEU HG H 1 1.778 0.000 . . . . . . A 16 LEU HG . 34511 1 167 . 1 . 1 16 16 LEU HD11 H 1 0.722 0.000 . . . . . . A 16 LEU HD11 . 34511 1 168 . 1 . 1 16 16 LEU HD12 H 1 0.722 0.000 . . . . . . A 16 LEU HD12 . 34511 1 169 . 1 . 1 16 16 LEU HD13 H 1 0.722 0.000 . . . . . . A 16 LEU HD13 . 34511 1 170 . 1 . 1 16 16 LEU HD21 H 1 0.583 0.002 . . . . . . A 16 LEU HD21 . 34511 1 171 . 1 . 1 16 16 LEU HD22 H 1 0.583 0.002 . . . . . . A 16 LEU HD22 . 34511 1 172 . 1 . 1 16 16 LEU HD23 H 1 0.583 0.002 . . . . . . A 16 LEU HD23 . 34511 1 173 . 1 . 1 16 16 LEU C C 13 176.828 0.003 . . . . . . A 16 LEU C . 34511 1 174 . 1 . 1 16 16 LEU CA C 13 53.899 0.022 . . . . . . A 16 LEU CA . 34511 1 175 . 1 . 1 16 16 LEU CB C 13 44.443 0.025 . . . . . . A 16 LEU CB . 34511 1 176 . 1 . 1 16 16 LEU CG C 13 26.661 0.000 . . . . . . A 16 LEU CG . 34511 1 177 . 1 . 1 16 16 LEU CD1 C 13 24.708 0.017 . . . . . . A 16 LEU CD1 . 34511 1 178 . 1 . 1 16 16 LEU CD2 C 13 25.984 0.012 . . . . . . A 16 LEU CD2 . 34511 1 179 . 1 . 1 16 16 LEU N N 15 117.594 0.004 . . . . . . A 16 LEU N . 34511 1 180 . 1 . 1 17 17 THR H H 1 9.304 0.002 . . . . . . A 17 THR H . 34511 1 181 . 1 . 1 17 17 THR HA H 1 4.685 0.000 . . . . . . A 17 THR HA . 34511 1 182 . 1 . 1 17 17 THR HB H 1 3.813 0.000 . . . . . . A 17 THR HB . 34511 1 183 . 1 . 1 17 17 THR HG21 H 1 0.866 0.000 . . . . . . A 17 THR HG21 . 34511 1 184 . 1 . 1 17 17 THR HG22 H 1 0.866 0.000 . . . . . . A 17 THR HG22 . 34511 1 185 . 1 . 1 17 17 THR HG23 H 1 0.866 0.000 . . . . . . A 17 THR HG23 . 34511 1 186 . 1 . 1 17 17 THR C C 13 172.448 0.000 . . . . . . A 17 THR C . 34511 1 187 . 1 . 1 17 17 THR CA C 13 62.495 0.005 . . . . . . A 17 THR CA . 34511 1 188 . 1 . 1 17 17 THR CB C 13 69.368 0.036 . . . . . . A 17 THR CB . 34511 1 189 . 1 . 1 17 17 THR CG2 C 13 22.306 0.088 . . . . . . A 17 THR CG2 . 34511 1 190 . 1 . 1 17 17 THR N N 15 121.170 0.023 . . . . . . A 17 THR N . 34511 1 191 . 1 . 1 18 18 GLN H H 1 8.595 0.003 . . . . . . A 18 GLN H . 34511 1 192 . 1 . 1 18 18 GLN HA H 1 3.580 0.003 . . . . . . A 18 GLN HA . 34511 1 193 . 1 . 1 18 18 GLN HB2 H 1 2.039 0.000 . . . . . . A 18 GLN HB2 . 34511 1 194 . 1 . 1 18 18 GLN HB3 H 1 1.730 0.000 . . . . . . A 18 GLN HB3 . 34511 1 195 . 1 . 1 18 18 GLN HG2 H 1 2.008 0.001 . . . . . . A 18 GLN HG2 . 34511 1 196 . 1 . 1 18 18 GLN HG3 H 1 1.785 0.000 . . . . . . A 18 GLN HG3 . 34511 1 197 . 1 . 1 18 18 GLN HE21 H 1 6.850 0.000 . . . . . . A 18 GLN HE21 . 34511 1 198 . 1 . 1 18 18 GLN HE22 H 1 6.928 0.000 . . . . . . A 18 GLN HE22 . 34511 1 199 . 1 . 1 18 18 GLN C C 13 174.114 0.001 . . . . . . A 18 GLN C . 34511 1 200 . 1 . 1 18 18 GLN CA C 13 54.253 0.073 . . . . . . A 18 GLN CA . 34511 1 201 . 1 . 1 18 18 GLN CB C 13 30.461 0.025 . . . . . . A 18 GLN CB . 34511 1 202 . 1 . 1 18 18 GLN CG C 13 32.481 0.016 . . . . . . A 18 GLN CG . 34511 1 203 . 1 . 1 18 18 GLN N N 15 126.546 0.017 . . . . . . A 18 GLN N . 34511 1 204 . 1 . 1 18 18 GLN NE2 N 15 110.827 0.009 . . . . . . A 18 GLN NE2 . 34511 1 205 . 1 . 1 19 19 HIS H H 1 8.413 0.004 . . . . . . A 19 HIS H . 34511 1 206 . 1 . 1 19 19 HIS HA H 1 4.776 0.000 . . . . . . A 19 HIS HA . 34511 1 207 . 1 . 1 19 19 HIS HB2 H 1 3.061 0.000 . . . . . . A 19 HIS HB2 . 34511 1 208 . 1 . 1 19 19 HIS HB3 H 1 3.176 0.000 . . . . . . A 19 HIS HB3 . 34511 1 209 . 1 . 1 19 19 HIS HD2 H 1 6.972 0.000 . . . . . . A 19 HIS HD2 . 34511 1 210 . 1 . 1 19 19 HIS C C 13 175.739 0.009 . . . . . . A 19 HIS C . 34511 1 211 . 1 . 1 19 19 HIS CA C 13 55.867 0.015 . . . . . . A 19 HIS CA . 34511 1 212 . 1 . 1 19 19 HIS CB C 13 30.085 0.042 . . . . . . A 19 HIS CB . 34511 1 213 . 1 . 1 19 19 HIS CD2 C 13 119.743 0.000 . . . . . . A 19 HIS CD2 . 34511 1 214 . 1 . 1 19 19 HIS N N 15 123.646 0.044 . . . . . . A 19 HIS N . 34511 1 215 . 1 . 1 20 20 GLY H H 1 7.733 0.002 . . . . . . A 20 GLY H . 34511 1 216 . 1 . 1 20 20 GLY HA2 H 1 4.386 0.000 . . . . . . A 20 GLY HA2 . 34511 1 217 . 1 . 1 20 20 GLY HA3 H 1 3.882 0.000 . . . . . . A 20 GLY HA3 . 34511 1 218 . 1 . 1 20 20 GLY C C 13 174.041 0.012 . . . . . . A 20 GLY C . 34511 1 219 . 1 . 1 20 20 GLY CA C 13 44.424 0.014 . . . . . . A 20 GLY CA . 34511 1 220 . 1 . 1 20 20 GLY N N 15 108.481 0.017 . . . . . . A 20 GLY N . 34511 1 221 . 1 . 1 21 21 LYS H H 1 8.482 0.003 . . . . . . A 21 LYS H . 34511 1 222 . 1 . 1 21 21 LYS HA H 1 4.272 0.000 . . . . . . A 21 LYS HA . 34511 1 223 . 1 . 1 21 21 LYS HB2 H 1 1.886 0.000 . . . . . . A 21 LYS HB2 . 34511 1 224 . 1 . 1 21 21 LYS HB3 H 1 1.696 0.000 . . . . . . A 21 LYS HB3 . 34511 1 225 . 1 . 1 21 21 LYS HG2 H 1 1.401 0.007 . . . . . . A 21 LYS HG2 . 34511 1 226 . 1 . 1 21 21 LYS HG3 H 1 1.401 0.007 . . . . . . A 21 LYS HG3 . 34511 1 227 . 1 . 1 21 21 LYS HD2 H 1 1.631 0.000 . . . . . . A 21 LYS HD2 . 34511 1 228 . 1 . 1 21 21 LYS HD3 H 1 1.631 0.000 . . . . . . A 21 LYS HD3 . 34511 1 229 . 1 . 1 21 21 LYS HE2 H 1 2.982 0.000 . . . . . . A 21 LYS HE2 . 34511 1 230 . 1 . 1 21 21 LYS HE3 H 1 2.982 0.000 . . . . . . A 21 LYS HE3 . 34511 1 231 . 1 . 1 21 21 LYS C C 13 177.092 0.006 . . . . . . A 21 LYS C . 34511 1 232 . 1 . 1 21 21 LYS CA C 13 56.330 0.032 . . . . . . A 21 LYS CA . 34511 1 233 . 1 . 1 21 21 LYS CB C 13 33.105 0.039 . . . . . . A 21 LYS CB . 34511 1 234 . 1 . 1 21 21 LYS CG C 13 24.714 0.042 . . . . . . A 21 LYS CG . 34511 1 235 . 1 . 1 21 21 LYS CD C 13 28.938 0.018 . . . . . . A 21 LYS CD . 34511 1 236 . 1 . 1 21 21 LYS CE C 13 42.164 0.000 . . . . . . A 21 LYS CE . 34511 1 237 . 1 . 1 21 21 LYS N N 15 117.737 0.028 . . . . . . A 21 LYS N . 34511 1 238 . 1 . 1 22 22 GLU H H 1 7.987 0.002 . . . . . . A 22 GLU H . 34511 1 239 . 1 . 1 22 22 GLU HA H 1 4.287 0.000 . . . . . . A 22 GLU HA . 34511 1 240 . 1 . 1 22 22 GLU HB2 H 1 2.052 0.000 . . . . . . A 22 GLU HB2 . 34511 1 241 . 1 . 1 22 22 GLU HB3 H 1 1.959 0.000 . . . . . . A 22 GLU HB3 . 34511 1 242 . 1 . 1 22 22 GLU HG2 H 1 2.292 0.000 . . . . . . A 22 GLU HG2 . 34511 1 243 . 1 . 1 22 22 GLU HG3 H 1 2.292 0.000 . . . . . . A 22 GLU HG3 . 34511 1 244 . 1 . 1 22 22 GLU C C 13 175.635 0.005 . . . . . . A 22 GLU C . 34511 1 245 . 1 . 1 22 22 GLU CA C 13 56.321 0.034 . . . . . . A 22 GLU CA . 34511 1 246 . 1 . 1 22 22 GLU CB C 13 30.643 0.020 . . . . . . A 22 GLU CB . 34511 1 247 . 1 . 1 22 22 GLU CG C 13 36.497 0.004 . . . . . . A 22 GLU CG . 34511 1 248 . 1 . 1 22 22 GLU N N 15 120.523 0.024 . . . . . . A 22 GLU N . 34511 1 249 . 1 . 1 23 23 ASP H H 1 8.293 0.002 . . . . . . A 23 ASP H . 34511 1 250 . 1 . 1 23 23 ASP HA H 1 4.577 0.000 . . . . . . A 23 ASP HA . 34511 1 251 . 1 . 1 23 23 ASP HB2 H 1 2.533 0.000 . . . . . . A 23 ASP HB2 . 34511 1 252 . 1 . 1 23 23 ASP HB3 H 1 2.674 0.000 . . . . . . A 23 ASP HB3 . 34511 1 253 . 1 . 1 23 23 ASP C C 13 175.493 0.014 . . . . . . A 23 ASP C . 34511 1 254 . 1 . 1 23 23 ASP CA C 13 54.204 0.045 . . . . . . A 23 ASP CA . 34511 1 255 . 1 . 1 23 23 ASP CB C 13 41.586 0.067 . . . . . . A 23 ASP CB . 34511 1 256 . 1 . 1 23 23 ASP N N 15 119.870 0.022 . . . . . . A 23 ASP N . 34511 1 257 . 1 . 1 24 24 LEU H H 1 5.614 0.004 . . . . . . A 24 LEU H . 34511 1 258 . 1 . 1 24 24 LEU HA H 1 2.683 0.002 . . . . . . A 24 LEU HA . 34511 1 259 . 1 . 1 24 24 LEU HB2 H 1 -0.330 0.000 . . . . . . A 24 LEU HB2 . 34511 1 260 . 1 . 1 24 24 LEU HB3 H 1 -0.852 0.000 . . . . . . A 24 LEU HB3 . 34511 1 261 . 1 . 1 24 24 LEU HG H 1 0.041 0.000 . . . . . . A 24 LEU HG . 34511 1 262 . 1 . 1 24 24 LEU HD11 H 1 -1.214 0.000 . . . . . . A 24 LEU HD11 . 34511 1 263 . 1 . 1 24 24 LEU HD12 H 1 -1.214 0.000 . . . . . . A 24 LEU HD12 . 34511 1 264 . 1 . 1 24 24 LEU HD13 H 1 -1.214 0.000 . . . . . . A 24 LEU HD13 . 34511 1 265 . 1 . 1 24 24 LEU HD21 H 1 -0.672 0.002 . . . . . . A 24 LEU HD21 . 34511 1 266 . 1 . 1 24 24 LEU HD22 H 1 -0.672 0.002 . . . . . . A 24 LEU HD22 . 34511 1 267 . 1 . 1 24 24 LEU HD23 H 1 -0.672 0.002 . . . . . . A 24 LEU HD23 . 34511 1 268 . 1 . 1 24 24 LEU C C 13 172.918 0.000 . . . . . . A 24 LEU C . 34511 1 269 . 1 . 1 24 24 LEU CA C 13 54.656 0.020 . . . . . . A 24 LEU CA . 34511 1 270 . 1 . 1 24 24 LEU CB C 13 39.376 0.013 . . . . . . A 24 LEU CB . 34511 1 271 . 1 . 1 24 24 LEU CG C 13 24.837 0.000 . . . . . . A 24 LEU CG . 34511 1 272 . 1 . 1 24 24 LEU CD1 C 13 19.802 0.000 . . . . . . A 24 LEU CD1 . 34511 1 273 . 1 . 1 24 24 LEU CD2 C 13 24.750 0.016 . . . . . . A 24 LEU CD2 . 34511 1 274 . 1 . 1 24 24 LEU N N 15 120.933 0.018 . . . . . . A 24 LEU N . 34511 1 275 . 1 . 1 25 25 LYS H H 1 5.849 0.002 . . . . . . A 25 LYS H . 34511 1 276 . 1 . 1 25 25 LYS HA H 1 4.079 0.003 . . . . . . A 25 LYS HA . 34511 1 277 . 1 . 1 25 25 LYS HB2 H 1 1.574 0.000 . . . . . . A 25 LYS HB2 . 34511 1 278 . 1 . 1 25 25 LYS HB3 H 1 1.446 0.000 . . . . . . A 25 LYS HB3 . 34511 1 279 . 1 . 1 25 25 LYS HG2 H 1 1.049 0.000 . . . . . . A 25 LYS HG2 . 34511 1 280 . 1 . 1 25 25 LYS HG3 H 1 1.049 0.000 . . . . . . A 25 LYS HG3 . 34511 1 281 . 1 . 1 25 25 LYS HD2 H 1 1.525 0.000 . . . . . . A 25 LYS HD2 . 34511 1 282 . 1 . 1 25 25 LYS HD3 H 1 1.525 0.000 . . . . . . A 25 LYS HD3 . 34511 1 283 . 1 . 1 25 25 LYS HE2 H 1 2.891 0.000 . . . . . . A 25 LYS HE2 . 34511 1 284 . 1 . 1 25 25 LYS HE3 H 1 2.891 0.000 . . . . . . A 25 LYS HE3 . 34511 1 285 . 1 . 1 25 25 LYS C C 13 173.647 0.002 . . . . . . A 25 LYS C . 34511 1 286 . 1 . 1 25 25 LYS CA C 13 55.456 0.018 . . . . . . A 25 LYS CA . 34511 1 287 . 1 . 1 25 25 LYS CB C 13 35.075 0.027 . . . . . . A 25 LYS CB . 34511 1 288 . 1 . 1 25 25 LYS CG C 13 23.526 0.033 . . . . . . A 25 LYS CG . 34511 1 289 . 1 . 1 25 25 LYS CD C 13 29.208 0.029 . . . . . . A 25 LYS CD . 34511 1 290 . 1 . 1 25 25 LYS CE C 13 42.062 0.020 . . . . . . A 25 LYS CE . 34511 1 291 . 1 . 1 25 25 LYS N N 15 119.898 0.016 . . . . . . A 25 LYS N . 34511 1 292 . 1 . 1 26 26 PHE H H 1 8.140 0.002 . . . . . . A 26 PHE H . 34511 1 293 . 1 . 1 26 26 PHE HA H 1 4.859 0.000 . . . . . . A 26 PHE HA . 34511 1 294 . 1 . 1 26 26 PHE HB2 H 1 2.356 0.000 . . . . . . A 26 PHE HB2 . 34511 1 295 . 1 . 1 26 26 PHE HB3 H 1 2.825 0.000 . . . . . . A 26 PHE HB3 . 34511 1 296 . 1 . 1 26 26 PHE HD1 H 1 6.684 0.162 . . . . . . A 26 PHE HD1 . 34511 1 297 . 1 . 1 26 26 PHE HD2 H 1 6.684 0.162 . . . . . . A 26 PHE HD2 . 34511 1 298 . 1 . 1 26 26 PHE HZ H 1 6.415 0.000 . . . . . . A 26 PHE HZ . 34511 1 299 . 1 . 1 26 26 PHE C C 13 173.716 0.000 . . . . . . A 26 PHE C . 34511 1 300 . 1 . 1 26 26 PHE CA C 13 55.925 0.018 . . . . . . A 26 PHE CA . 34511 1 301 . 1 . 1 26 26 PHE CB C 13 42.872 0.018 . . . . . . A 26 PHE CB . 34511 1 302 . 1 . 1 26 26 PHE CD1 C 13 131.445 0.199 . . . . . . A 26 PHE CD1 . 34511 1 303 . 1 . 1 26 26 PHE CZ C 13 128.390 0.000 . . . . . . A 26 PHE CZ . 34511 1 304 . 1 . 1 26 26 PHE N N 15 118.650 0.007 . . . . . . A 26 PHE N . 34511 1 305 . 1 . 1 27 27 PRO HA H 1 4.472 0.000 . . . . . . A 27 PRO HA . 34511 1 306 . 1 . 1 27 27 PRO HB2 H 1 2.399 0.000 . . . . . . A 27 PRO HB2 . 34511 1 307 . 1 . 1 27 27 PRO HB3 H 1 1.701 0.000 . . . . . . A 27 PRO HB3 . 34511 1 308 . 1 . 1 27 27 PRO HG2 H 1 1.967 0.000 . . . . . . A 27 PRO HG2 . 34511 1 309 . 1 . 1 27 27 PRO HG3 H 1 1.967 0.000 . . . . . . A 27 PRO HG3 . 34511 1 310 . 1 . 1 27 27 PRO HD2 H 1 3.593 0.000 . . . . . . A 27 PRO HD2 . 34511 1 311 . 1 . 1 27 27 PRO HD3 H 1 3.915 0.000 . . . . . . A 27 PRO HD3 . 34511 1 312 . 1 . 1 27 27 PRO C C 13 175.356 0.007 . . . . . . A 27 PRO C . 34511 1 313 . 1 . 1 27 27 PRO CA C 13 62.148 0.028 . . . . . . A 27 PRO CA . 34511 1 314 . 1 . 1 27 27 PRO CB C 13 32.528 0.021 . . . . . . A 27 PRO CB . 34511 1 315 . 1 . 1 27 27 PRO CG C 13 27.840 0.043 . . . . . . A 27 PRO CG . 34511 1 316 . 1 . 1 27 27 PRO CD C 13 51.183 0.009 . . . . . . A 27 PRO CD . 34511 1 317 . 1 . 1 28 28 ARG H H 1 8.409 0.002 . . . . . . A 28 ARG H . 34511 1 318 . 1 . 1 28 28 ARG HA H 1 4.198 0.000 . . . . . . A 28 ARG HA . 34511 1 319 . 1 . 1 28 28 ARG HB2 H 1 1.811 0.000 . . . . . . A 28 ARG HB2 . 34511 1 320 . 1 . 1 28 28 ARG HB3 H 1 1.919 0.000 . . . . . . A 28 ARG HB3 . 34511 1 321 . 1 . 1 28 28 ARG HG2 H 1 1.687 0.000 . . . . . . A 28 ARG HG2 . 34511 1 322 . 1 . 1 28 28 ARG HG3 H 1 1.823 0.000 . . . . . . A 28 ARG HG3 . 34511 1 323 . 1 . 1 28 28 ARG HD2 H 1 3.267 0.000 . . . . . . A 28 ARG HD2 . 34511 1 324 . 1 . 1 28 28 ARG HD3 H 1 3.309 0.000 . . . . . . A 28 ARG HD3 . 34511 1 325 . 1 . 1 28 28 ARG HE H 1 7.360 0.000 . . . . . . A 28 ARG HE . 34511 1 326 . 1 . 1 28 28 ARG C C 13 177.601 0.006 . . . . . . A 28 ARG C . 34511 1 327 . 1 . 1 28 28 ARG CA C 13 58.300 0.037 . . . . . . A 28 ARG CA . 34511 1 328 . 1 . 1 28 28 ARG CB C 13 29.900 0.024 . . . . . . A 28 ARG CB . 34511 1 329 . 1 . 1 28 28 ARG CG C 13 27.152 0.026 . . . . . . A 28 ARG CG . 34511 1 330 . 1 . 1 28 28 ARG CD C 13 43.544 0.015 . . . . . . A 28 ARG CD . 34511 1 331 . 1 . 1 28 28 ARG N N 15 121.593 0.019 . . . . . . A 28 ARG N . 34511 1 332 . 1 . 1 28 28 ARG NE N 15 84.987 0.000 . . . . . . A 28 ARG NE . 34511 1 333 . 1 . 1 29 29 GLY H H 1 8.941 0.002 . . . . . . A 29 GLY H . 34511 1 334 . 1 . 1 29 29 GLY HA2 H 1 4.497 0.000 . . . . . . A 29 GLY HA2 . 34511 1 335 . 1 . 1 29 29 GLY HA3 H 1 4.216 0.000 . . . . . . A 29 GLY HA3 . 34511 1 336 . 1 . 1 29 29 GLY C C 13 174.779 0.004 . . . . . . A 29 GLY C . 34511 1 337 . 1 . 1 29 29 GLY CA C 13 45.254 0.044 . . . . . . A 29 GLY CA . 34511 1 338 . 1 . 1 29 29 GLY N N 15 115.541 0.011 . . . . . . A 29 GLY N . 34511 1 339 . 1 . 1 30 30 GLN H H 1 8.119 0.001 . . . . . . A 30 GLN H . 34511 1 340 . 1 . 1 30 30 GLN HA H 1 4.600 0.000 . . . . . . A 30 GLN HA . 34511 1 341 . 1 . 1 30 30 GLN HB2 H 1 2.158 0.000 . . . . . . A 30 GLN HB2 . 34511 1 342 . 1 . 1 30 30 GLN HB3 H 1 1.961 0.000 . . . . . . A 30 GLN HB3 . 34511 1 343 . 1 . 1 30 30 GLN HG2 H 1 2.286 0.000 . . . . . . A 30 GLN HG2 . 34511 1 344 . 1 . 1 30 30 GLN HG3 H 1 2.286 0.000 . . . . . . A 30 GLN HG3 . 34511 1 345 . 1 . 1 30 30 GLN HE21 H 1 6.806 0.000 . . . . . . A 30 GLN HE21 . 34511 1 346 . 1 . 1 30 30 GLN HE22 H 1 7.367 0.000 . . . . . . A 30 GLN HE22 . 34511 1 347 . 1 . 1 30 30 GLN C C 13 175.891 0.005 . . . . . . A 30 GLN C . 34511 1 348 . 1 . 1 30 30 GLN CA C 13 54.660 0.071 . . . . . . A 30 GLN CA . 34511 1 349 . 1 . 1 30 30 GLN CB C 13 31.732 0.028 . . . . . . A 30 GLN CB . 34511 1 350 . 1 . 1 30 30 GLN CG C 13 33.812 0.136 . . . . . . A 30 GLN CG . 34511 1 351 . 1 . 1 30 30 GLN N N 15 119.383 0.013 . . . . . . A 30 GLN N . 34511 1 352 . 1 . 1 30 30 GLN NE2 N 15 109.901 0.003 . . . . . . A 30 GLN NE2 . 34511 1 353 . 1 . 1 31 31 GLY H H 1 8.361 0.003 . . . . . . A 31 GLY H . 34511 1 354 . 1 . 1 31 31 GLY HA2 H 1 1.755 0.000 . . . . . . A 31 GLY HA2 . 34511 1 355 . 1 . 1 31 31 GLY HA3 H 1 2.940 0.000 . . . . . . A 31 GLY HA3 . 34511 1 356 . 1 . 1 31 31 GLY C C 13 172.361 0.000 . . . . . . A 31 GLY C . 34511 1 357 . 1 . 1 31 31 GLY CA C 13 43.504 0.047 . . . . . . A 31 GLY CA . 34511 1 358 . 1 . 1 31 31 GLY N N 15 102.514 0.033 . . . . . . A 31 GLY N . 34511 1 359 . 1 . 1 32 32 VAL H H 1 7.360 0.002 . . . . . . A 32 VAL H . 34511 1 360 . 1 . 1 32 32 VAL HA H 1 3.247 0.000 . . . . . . A 32 VAL HA . 34511 1 361 . 1 . 1 32 32 VAL HB H 1 1.524 0.000 . . . . . . A 32 VAL HB . 34511 1 362 . 1 . 1 32 32 VAL HG11 H 1 0.472 0.001 . . . . . . A 32 VAL HG11 . 34511 1 363 . 1 . 1 32 32 VAL HG12 H 1 0.472 0.001 . . . . . . A 32 VAL HG12 . 34511 1 364 . 1 . 1 32 32 VAL HG13 H 1 0.472 0.001 . . . . . . A 32 VAL HG13 . 34511 1 365 . 1 . 1 32 32 VAL HG21 H 1 0.534 0.001 . . . . . . A 32 VAL HG21 . 34511 1 366 . 1 . 1 32 32 VAL HG22 H 1 0.534 0.001 . . . . . . A 32 VAL HG22 . 34511 1 367 . 1 . 1 32 32 VAL HG23 H 1 0.534 0.001 . . . . . . A 32 VAL HG23 . 34511 1 368 . 1 . 1 32 32 VAL C C 13 173.601 0.000 . . . . . . A 32 VAL C . 34511 1 369 . 1 . 1 32 32 VAL CA C 13 60.214 0.038 . . . . . . A 32 VAL CA . 34511 1 370 . 1 . 1 32 32 VAL CB C 13 31.197 0.039 . . . . . . A 32 VAL CB . 34511 1 371 . 1 . 1 32 32 VAL CG1 C 13 21.000 0.011 . . . . . . A 32 VAL CG1 . 34511 1 372 . 1 . 1 32 32 VAL CG2 C 13 20.851 0.007 . . . . . . A 32 VAL CG2 . 34511 1 373 . 1 . 1 32 32 VAL N N 15 122.855 0.019 . . . . . . A 32 VAL N . 34511 1 374 . 1 . 1 33 33 PRO HA H 1 3.978 0.000 . . . . . . A 33 PRO HA . 34511 1 375 . 1 . 1 33 33 PRO HB2 H 1 1.234 0.000 . . . . . . A 33 PRO HB2 . 34511 1 376 . 1 . 1 33 33 PRO HB3 H 1 0.583 0.000 . . . . . . A 33 PRO HB3 . 34511 1 377 . 1 . 1 33 33 PRO HG2 H 1 0.439 0.000 . . . . . . A 33 PRO HG2 . 34511 1 378 . 1 . 1 33 33 PRO HG3 H 1 -0.095 0.000 . . . . . . A 33 PRO HG3 . 34511 1 379 . 1 . 1 33 33 PRO HD2 H 1 2.455 0.000 . . . . . . A 33 PRO HD2 . 34511 1 380 . 1 . 1 33 33 PRO HD3 H 1 0.965 0.000 . . . . . . A 33 PRO HD3 . 34511 1 381 . 1 . 1 33 33 PRO C C 13 175.204 0.001 . . . . . . A 33 PRO C . 34511 1 382 . 1 . 1 33 33 PRO CA C 13 61.904 0.010 . . . . . . A 33 PRO CA . 34511 1 383 . 1 . 1 33 33 PRO CB C 13 32.297 0.022 . . . . . . A 33 PRO CB . 34511 1 384 . 1 . 1 33 33 PRO CG C 13 26.578 0.032 . . . . . . A 33 PRO CG . 34511 1 385 . 1 . 1 33 33 PRO CD C 13 48.984 0.005 . . . . . . A 33 PRO CD . 34511 1 386 . 1 . 1 34 34 ILE H H 1 7.933 0.002 . . . . . . A 34 ILE H . 34511 1 387 . 1 . 1 34 34 ILE HA H 1 3.685 0.000 . . . . . . A 34 ILE HA . 34511 1 388 . 1 . 1 34 34 ILE HB H 1 1.493 0.000 . . . . . . A 34 ILE HB . 34511 1 389 . 1 . 1 34 34 ILE HG12 H 1 0.915 0.000 . . . . . . A 34 ILE HG12 . 34511 1 390 . 1 . 1 34 34 ILE HG13 H 1 1.377 0.000 . . . . . . A 34 ILE HG13 . 34511 1 391 . 1 . 1 34 34 ILE HG21 H 1 0.752 0.000 . . . . . . A 34 ILE HG21 . 34511 1 392 . 1 . 1 34 34 ILE HG22 H 1 0.752 0.000 . . . . . . A 34 ILE HG22 . 34511 1 393 . 1 . 1 34 34 ILE HG23 H 1 0.752 0.000 . . . . . . A 34 ILE HG23 . 34511 1 394 . 1 . 1 34 34 ILE HD11 H 1 0.566 0.000 . . . . . . A 34 ILE HD11 . 34511 1 395 . 1 . 1 34 34 ILE HD12 H 1 0.566 0.000 . . . . . . A 34 ILE HD12 . 34511 1 396 . 1 . 1 34 34 ILE HD13 H 1 0.566 0.000 . . . . . . A 34 ILE HD13 . 34511 1 397 . 1 . 1 34 34 ILE C C 13 176.911 0.026 . . . . . . A 34 ILE C . 34511 1 398 . 1 . 1 34 34 ILE CA C 13 62.163 0.030 . . . . . . A 34 ILE CA . 34511 1 399 . 1 . 1 34 34 ILE CB C 13 38.571 0.032 . . . . . . A 34 ILE CB . 34511 1 400 . 1 . 1 34 34 ILE CG1 C 13 27.624 0.016 . . . . . . A 34 ILE CG1 . 34511 1 401 . 1 . 1 34 34 ILE CG2 C 13 16.852 0.031 . . . . . . A 34 ILE CG2 . 34511 1 402 . 1 . 1 34 34 ILE CD1 C 13 13.325 0.000 . . . . . . A 34 ILE CD1 . 34511 1 403 . 1 . 1 34 34 ILE N N 15 118.768 0.012 . . . . . . A 34 ILE N . 34511 1 404 . 1 . 1 35 35 ASN H H 1 8.813 0.003 . . . . . . A 35 ASN H . 34511 1 405 . 1 . 1 35 35 ASN HA H 1 5.040 0.000 . . . . . . A 35 ASN HA . 34511 1 406 . 1 . 1 35 35 ASN HB2 H 1 2.926 0.000 . . . . . . A 35 ASN HB2 . 34511 1 407 . 1 . 1 35 35 ASN HB3 H 1 3.232 0.000 . . . . . . A 35 ASN HB3 . 34511 1 408 . 1 . 1 35 35 ASN HD21 H 1 6.960 0.000 . . . . . . A 35 ASN HD21 . 34511 1 409 . 1 . 1 35 35 ASN HD22 H 1 7.216 0.000 . . . . . . A 35 ASN HD22 . 34511 1 410 . 1 . 1 35 35 ASN C C 13 176.842 0.003 . . . . . . A 35 ASN C . 34511 1 411 . 1 . 1 35 35 ASN CA C 13 51.455 0.058 . . . . . . A 35 ASN CA . 34511 1 412 . 1 . 1 35 35 ASN CB C 13 39.236 0.024 . . . . . . A 35 ASN CB . 34511 1 413 . 1 . 1 35 35 ASN N N 15 124.045 0.021 . . . . . . A 35 ASN N . 34511 1 414 . 1 . 1 35 35 ASN ND2 N 15 106.934 0.005 . . . . . . A 35 ASN ND2 . 34511 1 415 . 1 . 1 36 36 THR H H 1 9.176 0.002 . . . . . . A 36 THR H . 34511 1 416 . 1 . 1 36 36 THR HA H 1 4.125 0.000 . . . . . . A 36 THR HA . 34511 1 417 . 1 . 1 36 36 THR HB H 1 4.325 0.000 . . . . . . A 36 THR HB . 34511 1 418 . 1 . 1 36 36 THR HG21 H 1 1.241 0.000 . . . . . . A 36 THR HG21 . 34511 1 419 . 1 . 1 36 36 THR HG22 H 1 1.241 0.000 . . . . . . A 36 THR HG22 . 34511 1 420 . 1 . 1 36 36 THR HG23 H 1 1.241 0.000 . . . . . . A 36 THR HG23 . 34511 1 421 . 1 . 1 36 36 THR C C 13 174.849 0.008 . . . . . . A 36 THR C . 34511 1 422 . 1 . 1 36 36 THR CA C 13 64.737 0.032 . . . . . . A 36 THR CA . 34511 1 423 . 1 . 1 36 36 THR CB C 13 68.439 0.020 . . . . . . A 36 THR CB . 34511 1 424 . 1 . 1 36 36 THR CG2 C 13 21.704 0.040 . . . . . . A 36 THR CG2 . 34511 1 425 . 1 . 1 36 36 THR N N 15 120.185 0.018 . . . . . . A 36 THR N . 34511 1 426 . 1 . 1 37 37 ASN H H 1 7.710 0.002 . . . . . . A 37 ASN H . 34511 1 427 . 1 . 1 37 37 ASN HA H 1 4.893 0.000 . . . . . . A 37 ASN HA . 34511 1 428 . 1 . 1 37 37 ASN HB2 H 1 2.757 0.000 . . . . . . A 37 ASN HB2 . 34511 1 429 . 1 . 1 37 37 ASN HB3 H 1 2.450 0.000 . . . . . . A 37 ASN HB3 . 34511 1 430 . 1 . 1 37 37 ASN HD21 H 1 7.577 0.000 . . . . . . A 37 ASN HD21 . 34511 1 431 . 1 . 1 37 37 ASN HD22 H 1 6.847 0.000 . . . . . . A 37 ASN HD22 . 34511 1 432 . 1 . 1 37 37 ASN C C 13 173.515 0.005 . . . . . . A 37 ASN C . 34511 1 433 . 1 . 1 37 37 ASN CA C 13 52.818 0.062 . . . . . . A 37 ASN CA . 34511 1 434 . 1 . 1 37 37 ASN CB C 13 38.080 0.019 . . . . . . A 37 ASN CB . 34511 1 435 . 1 . 1 37 37 ASN N N 15 119.243 0.011 . . . . . . A 37 ASN N . 34511 1 436 . 1 . 1 37 37 ASN ND2 N 15 114.297 0.001 . . . . . . A 37 ASN ND2 . 34511 1 437 . 1 . 1 38 38 SER H H 1 7.606 0.001 . . . . . . A 38 SER H . 34511 1 438 . 1 . 1 38 38 SER HA H 1 4.606 0.000 . . . . . . A 38 SER HA . 34511 1 439 . 1 . 1 38 38 SER HB2 H 1 4.018 0.000 . . . . . . A 38 SER HB2 . 34511 1 440 . 1 . 1 38 38 SER HB3 H 1 3.622 0.000 . . . . . . A 38 SER HB3 . 34511 1 441 . 1 . 1 38 38 SER HG H 1 5.492 0.000 . . . . . . A 38 SER HG . 34511 1 442 . 1 . 1 38 38 SER C C 13 172.490 0.006 . . . . . . A 38 SER C . 34511 1 443 . 1 . 1 38 38 SER CA C 13 57.709 0.025 . . . . . . A 38 SER CA . 34511 1 444 . 1 . 1 38 38 SER CB C 13 66.075 0.014 . . . . . . A 38 SER CB . 34511 1 445 . 1 . 1 38 38 SER N N 15 113.248 0.008 . . . . . . A 38 SER N . 34511 1 446 . 1 . 1 39 39 SER H H 1 9.551 0.001 . . . . . . A 39 SER H . 34511 1 447 . 1 . 1 39 39 SER HA H 1 5.113 0.000 . . . . . . A 39 SER HA . 34511 1 448 . 1 . 1 39 39 SER HB2 H 1 3.872 0.000 . . . . . . A 39 SER HB2 . 34511 1 449 . 1 . 1 39 39 SER HB3 H 1 4.074 0.000 . . . . . . A 39 SER HB3 . 34511 1 450 . 1 . 1 39 39 SER C C 13 175.275 0.000 . . . . . . A 39 SER C . 34511 1 451 . 1 . 1 39 39 SER CA C 13 56.707 0.047 . . . . . . A 39 SER CA . 34511 1 452 . 1 . 1 39 39 SER CB C 13 64.445 0.033 . . . . . . A 39 SER CB . 34511 1 453 . 1 . 1 39 39 SER N N 15 119.296 0.003 . . . . . . A 39 SER N . 34511 1 454 . 1 . 1 40 40 PRO HA H 1 4.241 0.000 . . . . . . A 40 PRO HA . 34511 1 455 . 1 . 1 40 40 PRO HB2 H 1 2.371 0.000 . . . . . . A 40 PRO HB2 . 34511 1 456 . 1 . 1 40 40 PRO HB3 H 1 1.966 0.000 . . . . . . A 40 PRO HB3 . 34511 1 457 . 1 . 1 40 40 PRO HG2 H 1 1.993 0.000 . . . . . . A 40 PRO HG2 . 34511 1 458 . 1 . 1 40 40 PRO HG3 H 1 2.154 0.000 . . . . . . A 40 PRO HG3 . 34511 1 459 . 1 . 1 40 40 PRO HD2 H 1 3.880 0.000 . . . . . . A 40 PRO HD2 . 34511 1 460 . 1 . 1 40 40 PRO HD3 H 1 3.905 0.000 . . . . . . A 40 PRO HD3 . 34511 1 461 . 1 . 1 40 40 PRO C C 13 178.329 0.005 . . . . . . A 40 PRO C . 34511 1 462 . 1 . 1 40 40 PRO CA C 13 66.449 0.038 . . . . . . A 40 PRO CA . 34511 1 463 . 1 . 1 40 40 PRO CB C 13 31.760 0.012 . . . . . . A 40 PRO CB . 34511 1 464 . 1 . 1 40 40 PRO CG C 13 28.057 0.024 . . . . . . A 40 PRO CG . 34511 1 465 . 1 . 1 40 40 PRO CD C 13 50.942 0.009 . . . . . . A 40 PRO CD . 34511 1 466 . 1 . 1 41 41 ASP H H 1 8.091 0.002 . . . . . . A 41 ASP H . 34511 1 467 . 1 . 1 41 41 ASP HA H 1 4.337 0.000 . . . . . . A 41 ASP HA . 34511 1 468 . 1 . 1 41 41 ASP HB2 H 1 2.761 0.000 . . . . . . A 41 ASP HB2 . 34511 1 469 . 1 . 1 41 41 ASP HB3 H 1 2.408 0.000 . . . . . . A 41 ASP HB3 . 34511 1 470 . 1 . 1 41 41 ASP C C 13 177.623 0.007 . . . . . . A 41 ASP C . 34511 1 471 . 1 . 1 41 41 ASP CA C 13 56.698 0.092 . . . . . . A 41 ASP CA . 34511 1 472 . 1 . 1 41 41 ASP CB C 13 41.236 0.006 . . . . . . A 41 ASP CB . 34511 1 473 . 1 . 1 41 41 ASP N N 15 115.009 0.018 . . . . . . A 41 ASP N . 34511 1 474 . 1 . 1 42 42 ASP H H 1 8.009 0.003 . . . . . . A 42 ASP H . 34511 1 475 . 1 . 1 42 42 ASP HA H 1 4.505 0.000 . . . . . . A 42 ASP HA . 34511 1 476 . 1 . 1 42 42 ASP HB2 H 1 2.869 0.000 . . . . . . A 42 ASP HB2 . 34511 1 477 . 1 . 1 42 42 ASP HB3 H 1 2.984 0.000 . . . . . . A 42 ASP HB3 . 34511 1 478 . 1 . 1 42 42 ASP C C 13 176.679 0.010 . . . . . . A 42 ASP C . 34511 1 479 . 1 . 1 42 42 ASP CA C 13 55.724 0.034 . . . . . . A 42 ASP CA . 34511 1 480 . 1 . 1 42 42 ASP CB C 13 43.075 0.021 . . . . . . A 42 ASP CB . 34511 1 481 . 1 . 1 42 42 ASP N N 15 114.764 0.018 . . . . . . A 42 ASP N . 34511 1 482 . 1 . 1 43 43 GLN H H 1 6.801 0.002 . . . . . . A 43 GLN H . 34511 1 483 . 1 . 1 43 43 GLN HA H 1 4.250 0.004 . . . . . . A 43 GLN HA . 34511 1 484 . 1 . 1 43 43 GLN HB2 H 1 2.139 0.000 . . . . . . A 43 GLN HB2 . 34511 1 485 . 1 . 1 43 43 GLN HB3 H 1 2.329 0.000 . . . . . . A 43 GLN HB3 . 34511 1 486 . 1 . 1 43 43 GLN HG2 H 1 2.598 0.000 . . . . . . A 43 GLN HG2 . 34511 1 487 . 1 . 1 43 43 GLN HG3 H 1 2.526 0.000 . . . . . . A 43 GLN HG3 . 34511 1 488 . 1 . 1 43 43 GLN HE21 H 1 7.457 0.000 . . . . . . A 43 GLN HE21 . 34511 1 489 . 1 . 1 43 43 GLN HE22 H 1 7.542 0.000 . . . . . . A 43 GLN HE22 . 34511 1 490 . 1 . 1 43 43 GLN C C 13 172.108 0.001 . . . . . . A 43 GLN C . 34511 1 491 . 1 . 1 43 43 GLN CA C 13 55.194 0.038 . . . . . . A 43 GLN CA . 34511 1 492 . 1 . 1 43 43 GLN CB C 13 25.998 0.046 . . . . . . A 43 GLN CB . 34511 1 493 . 1 . 1 43 43 GLN CG C 13 32.609 0.025 . . . . . . A 43 GLN CG . 34511 1 494 . 1 . 1 43 43 GLN N N 15 114.049 0.024 . . . . . . A 43 GLN N . 34511 1 495 . 1 . 1 43 43 GLN NE2 N 15 116.181 0.000 . . . . . . A 43 GLN NE2 . 34511 1 496 . 1 . 1 44 44 ILE H H 1 9.170 0.002 . . . . . . A 44 ILE H . 34511 1 497 . 1 . 1 44 44 ILE HA H 1 5.172 0.000 . . . . . . A 44 ILE HA . 34511 1 498 . 1 . 1 44 44 ILE HB H 1 1.983 0.000 . . . . . . A 44 ILE HB . 34511 1 499 . 1 . 1 44 44 ILE HG12 H 1 1.042 0.000 . . . . . . A 44 ILE HG12 . 34511 1 500 . 1 . 1 44 44 ILE HG13 H 1 2.101 0.000 . . . . . . A 44 ILE HG13 . 34511 1 501 . 1 . 1 44 44 ILE HG21 H 1 1.230 0.000 . . . . . . A 44 ILE HG21 . 34511 1 502 . 1 . 1 44 44 ILE HG22 H 1 1.230 0.000 . . . . . . A 44 ILE HG22 . 34511 1 503 . 1 . 1 44 44 ILE HG23 H 1 1.230 0.000 . . . . . . A 44 ILE HG23 . 34511 1 504 . 1 . 1 44 44 ILE HD11 H 1 0.179 0.000 . . . . . . A 44 ILE HD11 . 34511 1 505 . 1 . 1 44 44 ILE HD12 H 1 0.179 0.000 . . . . . . A 44 ILE HD12 . 34511 1 506 . 1 . 1 44 44 ILE HD13 H 1 0.179 0.000 . . . . . . A 44 ILE HD13 . 34511 1 507 . 1 . 1 44 44 ILE C C 13 174.678 0.003 . . . . . . A 44 ILE C . 34511 1 508 . 1 . 1 44 44 ILE CA C 13 59.940 0.007 . . . . . . A 44 ILE CA . 34511 1 509 . 1 . 1 44 44 ILE CB C 13 39.201 0.027 . . . . . . A 44 ILE CB . 34511 1 510 . 1 . 1 44 44 ILE CG1 C 13 28.952 0.035 . . . . . . A 44 ILE CG1 . 34511 1 511 . 1 . 1 44 44 ILE CG2 C 13 15.635 0.012 . . . . . . A 44 ILE CG2 . 34511 1 512 . 1 . 1 44 44 ILE CD1 C 13 13.202 0.043 . . . . . . A 44 ILE CD1 . 34511 1 513 . 1 . 1 44 44 ILE N N 15 122.963 0.011 . . . . . . A 44 ILE N . 34511 1 514 . 1 . 1 45 45 GLY H H 1 9.647 0.002 . . . . . . A 45 GLY H . 34511 1 515 . 1 . 1 45 45 GLY HA2 H 1 4.089 0.003 . . . . . . A 45 GLY HA2 . 34511 1 516 . 1 . 1 45 45 GLY HA3 H 1 4.684 0.000 . . . . . . A 45 GLY HA3 . 34511 1 517 . 1 . 1 45 45 GLY C C 13 178.214 0.001 . . . . . . A 45 GLY C . 34511 1 518 . 1 . 1 45 45 GLY CA C 13 47.472 0.042 . . . . . . A 45 GLY CA . 34511 1 519 . 1 . 1 45 45 GLY N N 15 113.327 0.009 . . . . . . A 45 GLY N . 34511 1 520 . 1 . 1 46 46 TYR H H 1 8.437 0.002 . . . . . . A 46 TYR H . 34511 1 521 . 1 . 1 46 46 TYR HA H 1 5.791 0.000 . . . . . . A 46 TYR HA . 34511 1 522 . 1 . 1 46 46 TYR HB2 H 1 1.550 0.000 . . . . . . A 46 TYR HB2 . 34511 1 523 . 1 . 1 46 46 TYR HB3 H 1 2.057 0.000 . . . . . . A 46 TYR HB3 . 34511 1 524 . 1 . 1 46 46 TYR HD1 H 1 6.766 0.000 . . . . . . A 46 TYR HD1 . 34511 1 525 . 1 . 1 46 46 TYR HD2 H 1 6.766 0.000 . . . . . . A 46 TYR HD2 . 34511 1 526 . 1 . 1 46 46 TYR C C 13 173.696 0.005 . . . . . . A 46 TYR C . 34511 1 527 . 1 . 1 46 46 TYR CA C 13 53.916 0.042 . . . . . . A 46 TYR CA . 34511 1 528 . 1 . 1 46 46 TYR CB C 13 39.794 0.020 . . . . . . A 46 TYR CB . 34511 1 529 . 1 . 1 46 46 TYR CD1 C 13 132.200 0.000 . . . . . . A 46 TYR CD1 . 34511 1 530 . 1 . 1 46 46 TYR N N 15 116.952 0.002 . . . . . . A 46 TYR N . 34511 1 531 . 1 . 1 47 47 TYR H H 1 9.160 0.004 . . . . . . A 47 TYR H . 34511 1 532 . 1 . 1 47 47 TYR HA H 1 5.536 0.000 . . . . . . A 47 TYR HA . 34511 1 533 . 1 . 1 47 47 TYR HB2 H 1 2.922 0.000 . . . . . . A 47 TYR HB2 . 34511 1 534 . 1 . 1 47 47 TYR HB3 H 1 2.922 0.000 . . . . . . A 47 TYR HB3 . 34511 1 535 . 1 . 1 47 47 TYR HD1 H 1 5.430 0.001 . . . . . . A 47 TYR HD1 . 34511 1 536 . 1 . 1 47 47 TYR HD2 H 1 5.430 0.001 . . . . . . A 47 TYR HD2 . 34511 1 537 . 1 . 1 47 47 TYR HE1 H 1 5.004 0.001 . . . . . . A 47 TYR HE1 . 34511 1 538 . 1 . 1 47 47 TYR HE2 H 1 5.004 0.001 . . . . . . A 47 TYR HE2 . 34511 1 539 . 1 . 1 47 47 TYR C C 13 175.953 0.002 . . . . . . A 47 TYR C . 34511 1 540 . 1 . 1 47 47 TYR CA C 13 57.008 0.029 . . . . . . A 47 TYR CA . 34511 1 541 . 1 . 1 47 47 TYR CB C 13 42.583 0.027 . . . . . . A 47 TYR CB . 34511 1 542 . 1 . 1 47 47 TYR CD1 C 13 131.737 0.000 . . . . . . A 47 TYR CD1 . 34511 1 543 . 1 . 1 47 47 TYR CE1 C 13 129.728 0.000 . . . . . . A 47 TYR CE1 . 34511 1 544 . 1 . 1 47 47 TYR N N 15 115.553 0.019 . . . . . . A 47 TYR N . 34511 1 545 . 1 . 1 48 48 ARG H H 1 9.730 0.002 . . . . . . A 48 ARG H . 34511 1 546 . 1 . 1 48 48 ARG HA H 1 5.793 0.006 . . . . . . A 48 ARG HA . 34511 1 547 . 1 . 1 48 48 ARG HB2 H 1 2.166 0.000 . . . . . . A 48 ARG HB2 . 34511 1 548 . 1 . 1 48 48 ARG HB3 H 1 1.705 0.000 . . . . . . A 48 ARG HB3 . 34511 1 549 . 1 . 1 48 48 ARG HG2 H 1 1.665 0.000 . . . . . . A 48 ARG HG2 . 34511 1 550 . 1 . 1 48 48 ARG HG3 H 1 1.665 0.000 . . . . . . A 48 ARG HG3 . 34511 1 551 . 1 . 1 48 48 ARG HD2 H 1 2.934 0.000 . . . . . . A 48 ARG HD2 . 34511 1 552 . 1 . 1 48 48 ARG HD3 H 1 3.216 0.000 . . . . . . A 48 ARG HD3 . 34511 1 553 . 1 . 1 48 48 ARG HE H 1 8.397 0.000 . . . . . . A 48 ARG HE . 34511 1 554 . 1 . 1 48 48 ARG C C 13 176.041 0.013 . . . . . . A 48 ARG C . 34511 1 555 . 1 . 1 48 48 ARG CA C 13 53.282 0.027 . . . . . . A 48 ARG CA . 34511 1 556 . 1 . 1 48 48 ARG CB C 13 34.689 0.030 . . . . . . A 48 ARG CB . 34511 1 557 . 1 . 1 48 48 ARG CG C 13 28.207 0.000 . . . . . . A 48 ARG CG . 34511 1 558 . 1 . 1 48 48 ARG CD C 13 44.499 0.009 . . . . . . A 48 ARG CD . 34511 1 559 . 1 . 1 48 48 ARG N N 15 121.659 0.017 . . . . . . A 48 ARG N . 34511 1 560 . 1 . 1 48 48 ARG NE N 15 85.082 0.000 . . . . . . A 48 ARG NE . 34511 1 561 . 1 . 1 49 49 ARG H H 1 8.750 0.003 . . . . . . A 49 ARG H . 34511 1 562 . 1 . 1 49 49 ARG HA H 1 3.648 0.000 . . . . . . A 49 ARG HA . 34511 1 563 . 1 . 1 49 49 ARG HB2 H 1 1.100 0.000 . . . . . . A 49 ARG HB2 . 34511 1 564 . 1 . 1 49 49 ARG HB3 H 1 -0.514 0.002 . . . . . . A 49 ARG HB3 . 34511 1 565 . 1 . 1 49 49 ARG HG2 H 1 0.358 0.000 . . . . . . A 49 ARG HG2 . 34511 1 566 . 1 . 1 49 49 ARG HG3 H 1 0.947 0.000 . . . . . . A 49 ARG HG3 . 34511 1 567 . 1 . 1 49 49 ARG HD2 H 1 2.869 0.000 . . . . . . A 49 ARG HD2 . 34511 1 568 . 1 . 1 49 49 ARG HD3 H 1 2.981 0.000 . . . . . . A 49 ARG HD3 . 34511 1 569 . 1 . 1 49 49 ARG HE H 1 6.949 0.000 . . . . . . A 49 ARG HE . 34511 1 570 . 1 . 1 49 49 ARG C C 13 174.877 0.004 . . . . . . A 49 ARG C . 34511 1 571 . 1 . 1 49 49 ARG CA C 13 56.352 0.035 . . . . . . A 49 ARG CA . 34511 1 572 . 1 . 1 49 49 ARG CB C 13 29.631 0.034 . . . . . . A 49 ARG CB . 34511 1 573 . 1 . 1 49 49 ARG CG C 13 26.599 0.061 . . . . . . A 49 ARG CG . 34511 1 574 . 1 . 1 49 49 ARG CD C 13 43.692 0.021 . . . . . . A 49 ARG CD . 34511 1 575 . 1 . 1 49 49 ARG N N 15 132.330 0.038 . . . . . . A 49 ARG N . 34511 1 576 . 1 . 1 49 49 ARG NE N 15 83.551 0.000 . . . . . . A 49 ARG NE . 34511 1 577 . 1 . 1 50 50 ALA H H 1 9.497 0.001 . . . . . . A 50 ALA H . 34511 1 578 . 1 . 1 50 50 ALA HA H 1 4.691 0.000 . . . . . . A 50 ALA HA . 34511 1 579 . 1 . 1 50 50 ALA HB1 H 1 1.560 0.000 . . . . . . A 50 ALA HB1 . 34511 1 580 . 1 . 1 50 50 ALA HB2 H 1 1.560 0.000 . . . . . . A 50 ALA HB2 . 34511 1 581 . 1 . 1 50 50 ALA HB3 H 1 1.560 0.000 . . . . . . A 50 ALA HB3 . 34511 1 582 . 1 . 1 50 50 ALA C C 13 177.169 0.003 . . . . . . A 50 ALA C . 34511 1 583 . 1 . 1 50 50 ALA CA C 13 51.680 0.031 . . . . . . A 50 ALA CA . 34511 1 584 . 1 . 1 50 50 ALA CB C 13 20.852 0.031 . . . . . . A 50 ALA CB . 34511 1 585 . 1 . 1 50 50 ALA N N 15 131.675 0.010 . . . . . . A 50 ALA N . 34511 1 586 . 1 . 1 51 51 THR H H 1 8.357 0.001 . . . . . . A 51 THR H . 34511 1 587 . 1 . 1 51 51 THR HA H 1 4.413 0.000 . . . . . . A 51 THR HA . 34511 1 588 . 1 . 1 51 51 THR HB H 1 4.124 0.000 . . . . . . A 51 THR HB . 34511 1 589 . 1 . 1 51 51 THR HG21 H 1 1.119 0.000 . . . . . . A 51 THR HG21 . 34511 1 590 . 1 . 1 51 51 THR HG22 H 1 1.119 0.000 . . . . . . A 51 THR HG22 . 34511 1 591 . 1 . 1 51 51 THR HG23 H 1 1.119 0.000 . . . . . . A 51 THR HG23 . 34511 1 592 . 1 . 1 51 51 THR C C 13 174.304 0.077 . . . . . . A 51 THR C . 34511 1 593 . 1 . 1 51 51 THR CA C 13 61.340 0.039 . . . . . . A 51 THR CA . 34511 1 594 . 1 . 1 51 51 THR CB C 13 70.122 0.175 . . . . . . A 51 THR CB . 34511 1 595 . 1 . 1 51 51 THR CG2 C 13 21.755 0.051 . . . . . . A 51 THR CG2 . 34511 1 596 . 1 . 1 51 51 THR N N 15 116.285 0.013 . . . . . . A 51 THR N . 34511 1 597 . 1 . 1 52 52 ARG H H 1 8.743 0.002 . . . . . . A 52 ARG H . 34511 1 598 . 1 . 1 52 52 ARG HA H 1 4.496 0.002 . . . . . . A 52 ARG HA . 34511 1 599 . 1 . 1 52 52 ARG HB2 H 1 1.766 0.000 . . . . . . A 52 ARG HB2 . 34511 1 600 . 1 . 1 52 52 ARG HB3 H 1 1.681 0.000 . . . . . . A 52 ARG HB3 . 34511 1 601 . 1 . 1 52 52 ARG HG2 H 1 1.573 0.000 . . . . . . A 52 ARG HG2 . 34511 1 602 . 1 . 1 52 52 ARG HG3 H 1 1.628 0.002 . . . . . . A 52 ARG HG3 . 34511 1 603 . 1 . 1 52 52 ARG HD2 H 1 3.159 0.000 . . . . . . A 52 ARG HD2 . 34511 1 604 . 1 . 1 52 52 ARG HD3 H 1 3.220 0.000 . . . . . . A 52 ARG HD3 . 34511 1 605 . 1 . 1 52 52 ARG HE H 1 7.213 0.000 . . . . . . A 52 ARG HE . 34511 1 606 . 1 . 1 52 52 ARG C C 13 174.419 0.002 . . . . . . A 52 ARG C . 34511 1 607 . 1 . 1 52 52 ARG CA C 13 55.817 0.020 . . . . . . A 52 ARG CA . 34511 1 608 . 1 . 1 52 52 ARG CB C 13 32.765 0.090 . . . . . . A 52 ARG CB . 34511 1 609 . 1 . 1 52 52 ARG CG C 13 27.167 0.038 . . . . . . A 52 ARG CG . 34511 1 610 . 1 . 1 52 52 ARG CD C 13 43.733 0.011 . . . . . . A 52 ARG CD . 34511 1 611 . 1 . 1 52 52 ARG N N 15 124.229 0.006 . . . . . . A 52 ARG N . 34511 1 612 . 1 . 1 52 52 ARG NE N 15 84.241 0.000 . . . . . . A 52 ARG NE . 34511 1 613 . 1 . 1 53 53 ARG H H 1 8.391 0.002 . . . . . . A 53 ARG H . 34511 1 614 . 1 . 1 53 53 ARG HA H 1 4.959 0.000 . . . . . . A 53 ARG HA . 34511 1 615 . 1 . 1 53 53 ARG HB2 H 1 1.720 0.000 . . . . . . A 53 ARG HB2 . 34511 1 616 . 1 . 1 53 53 ARG HB3 H 1 1.639 0.000 . . . . . . A 53 ARG HB3 . 34511 1 617 . 1 . 1 53 53 ARG HG2 H 1 1.550 0.000 . . . . . . A 53 ARG HG2 . 34511 1 618 . 1 . 1 53 53 ARG HG3 H 1 1.550 0.000 . . . . . . A 53 ARG HG3 . 34511 1 619 . 1 . 1 53 53 ARG HD2 H 1 3.134 0.000 . . . . . . A 53 ARG HD2 . 34511 1 620 . 1 . 1 53 53 ARG HD3 H 1 3.086 0.000 . . . . . . A 53 ARG HD3 . 34511 1 621 . 1 . 1 53 53 ARG HE H 1 7.400 0.000 . . . . . . A 53 ARG HE . 34511 1 622 . 1 . 1 53 53 ARG C C 13 175.669 0.002 . . . . . . A 53 ARG C . 34511 1 623 . 1 . 1 53 53 ARG CA C 13 55.292 0.047 . . . . . . A 53 ARG CA . 34511 1 624 . 1 . 1 53 53 ARG CB C 13 32.515 0.028 . . . . . . A 53 ARG CB . 34511 1 625 . 1 . 1 53 53 ARG CG C 13 27.087 0.049 . . . . . . A 53 ARG CG . 34511 1 626 . 1 . 1 53 53 ARG CD C 13 43.705 0.011 . . . . . . A 53 ARG CD . 34511 1 627 . 1 . 1 53 53 ARG N N 15 123.160 0.016 . . . . . . A 53 ARG N . 34511 1 628 . 1 . 1 53 53 ARG NE N 15 85.061 0.000 . . . . . . A 53 ARG NE . 34511 1 629 . 1 . 1 54 54 ILE H H 1 8.613 0.002 . . . . . . A 54 ILE H . 34511 1 630 . 1 . 1 54 54 ILE HA H 1 4.459 0.000 . . . . . . A 54 ILE HA . 34511 1 631 . 1 . 1 54 54 ILE HB H 1 1.791 0.000 . . . . . . A 54 ILE HB . 34511 1 632 . 1 . 1 54 54 ILE HG12 H 1 1.363 0.000 . . . . . . A 54 ILE HG12 . 34511 1 633 . 1 . 1 54 54 ILE HG13 H 1 1.065 0.000 . . . . . . A 54 ILE HG13 . 34511 1 634 . 1 . 1 54 54 ILE HG21 H 1 0.838 0.000 . . . . . . A 54 ILE HG21 . 34511 1 635 . 1 . 1 54 54 ILE HG22 H 1 0.838 0.000 . . . . . . A 54 ILE HG22 . 34511 1 636 . 1 . 1 54 54 ILE HG23 H 1 0.838 0.000 . . . . . . A 54 ILE HG23 . 34511 1 637 . 1 . 1 54 54 ILE HD11 H 1 0.833 0.000 . . . . . . A 54 ILE HD11 . 34511 1 638 . 1 . 1 54 54 ILE HD12 H 1 0.833 0.000 . . . . . . A 54 ILE HD12 . 34511 1 639 . 1 . 1 54 54 ILE HD13 H 1 0.833 0.000 . . . . . . A 54 ILE HD13 . 34511 1 640 . 1 . 1 54 54 ILE C C 13 174.427 0.002 . . . . . . A 54 ILE C . 34511 1 641 . 1 . 1 54 54 ILE CA C 13 59.671 0.040 . . . . . . A 54 ILE CA . 34511 1 642 . 1 . 1 54 54 ILE CB C 13 41.419 0.031 . . . . . . A 54 ILE CB . 34511 1 643 . 1 . 1 54 54 ILE CG1 C 13 26.875 0.026 . . . . . . A 54 ILE CG1 . 34511 1 644 . 1 . 1 54 54 ILE CG2 C 13 17.839 0.017 . . . . . . A 54 ILE CG2 . 34511 1 645 . 1 . 1 54 54 ILE CD1 C 13 13.591 0.015 . . . . . . A 54 ILE CD1 . 34511 1 646 . 1 . 1 54 54 ILE N N 15 120.641 0.009 . . . . . . A 54 ILE N . 34511 1 647 . 1 . 1 55 55 ARG H H 1 8.500 0.002 . . . . . . A 55 ARG H . 34511 1 648 . 1 . 1 55 55 ARG HA H 1 4.479 0.000 . . . . . . A 55 ARG HA . 34511 1 649 . 1 . 1 55 55 ARG HB2 H 1 1.679 0.000 . . . . . . A 55 ARG HB2 . 34511 1 650 . 1 . 1 55 55 ARG HB3 H 1 1.770 0.000 . . . . . . A 55 ARG HB3 . 34511 1 651 . 1 . 1 55 55 ARG HG2 H 1 1.619 0.000 . . . . . . A 55 ARG HG2 . 34511 1 652 . 1 . 1 55 55 ARG HG3 H 1 1.483 0.000 . . . . . . A 55 ARG HG3 . 34511 1 653 . 1 . 1 55 55 ARG HD2 H 1 3.156 0.000 . . . . . . A 55 ARG HD2 . 34511 1 654 . 1 . 1 55 55 ARG HD3 H 1 3.156 0.000 . . . . . . A 55 ARG HD3 . 34511 1 655 . 1 . 1 55 55 ARG HE H 1 7.246 0.000 . . . . . . A 55 ARG HE . 34511 1 656 . 1 . 1 55 55 ARG C C 13 176.961 0.001 . . . . . . A 55 ARG C . 34511 1 657 . 1 . 1 55 55 ARG CA C 13 56.299 0.064 . . . . . . A 55 ARG CA . 34511 1 658 . 1 . 1 55 55 ARG CB C 13 30.780 0.012 . . . . . . A 55 ARG CB . 34511 1 659 . 1 . 1 55 55 ARG CG C 13 27.259 0.082 . . . . . . A 55 ARG CG . 34511 1 660 . 1 . 1 55 55 ARG CD C 13 43.376 0.007 . . . . . . A 55 ARG CD . 34511 1 661 . 1 . 1 55 55 ARG N N 15 125.065 0.015 . . . . . . A 55 ARG N . 34511 1 662 . 1 . 1 55 55 ARG NE N 15 84.424 0.000 . . . . . . A 55 ARG NE . 34511 1 663 . 1 . 1 56 56 GLY H H 1 8.667 0.001 . . . . . . A 56 GLY H . 34511 1 664 . 1 . 1 56 56 GLY HA2 H 1 4.016 0.000 . . . . . . A 56 GLY HA2 . 34511 1 665 . 1 . 1 56 56 GLY HA3 H 1 4.221 0.000 . . . . . . A 56 GLY HA3 . 34511 1 666 . 1 . 1 56 56 GLY C C 13 175.469 0.008 . . . . . . A 56 GLY C . 34511 1 667 . 1 . 1 56 56 GLY CA C 13 44.575 0.027 . . . . . . A 56 GLY CA . 34511 1 668 . 1 . 1 56 56 GLY N N 15 112.999 0.006 . . . . . . A 56 GLY N . 34511 1 669 . 1 . 1 57 57 GLY H H 1 8.694 0.002 . . . . . . A 57 GLY H . 34511 1 670 . 1 . 1 57 57 GLY HA2 H 1 3.924 0.000 . . . . . . A 57 GLY HA2 . 34511 1 671 . 1 . 1 57 57 GLY HA3 H 1 3.924 0.000 . . . . . . A 57 GLY HA3 . 34511 1 672 . 1 . 1 57 57 GLY C C 13 174.221 0.008 . . . . . . A 57 GLY C . 34511 1 673 . 1 . 1 57 57 GLY CA C 13 46.455 0.027 . . . . . . A 57 GLY CA . 34511 1 674 . 1 . 1 57 57 GLY N N 15 109.090 0.007 . . . . . . A 57 GLY N . 34511 1 675 . 1 . 1 58 58 ASP H H 1 8.114 0.002 . . . . . . A 58 ASP H . 34511 1 676 . 1 . 1 58 58 ASP HA H 1 4.544 0.000 . . . . . . A 58 ASP HA . 34511 1 677 . 1 . 1 58 58 ASP HB2 H 1 2.921 0.000 . . . . . . A 58 ASP HB2 . 34511 1 678 . 1 . 1 58 58 ASP HB3 H 1 2.634 0.000 . . . . . . A 58 ASP HB3 . 34511 1 679 . 1 . 1 58 58 ASP C C 13 177.070 0.002 . . . . . . A 58 ASP C . 34511 1 680 . 1 . 1 58 58 ASP CA C 13 53.237 0.139 . . . . . . A 58 ASP CA . 34511 1 681 . 1 . 1 58 58 ASP CB C 13 40.395 0.031 . . . . . . A 58 ASP CB . 34511 1 682 . 1 . 1 58 58 ASP N N 15 118.215 0.005 . . . . . . A 58 ASP N . 34511 1 683 . 1 . 1 59 59 GLY H H 1 8.177 0.002 . . . . . . A 59 GLY H . 34511 1 684 . 1 . 1 59 59 GLY HA2 H 1 4.163 0.000 . . . . . . A 59 GLY HA2 . 34511 1 685 . 1 . 1 59 59 GLY HA3 H 1 3.643 0.000 . . . . . . A 59 GLY HA3 . 34511 1 686 . 1 . 1 59 59 GLY C C 13 174.132 0.007 . . . . . . A 59 GLY C . 34511 1 687 . 1 . 1 59 59 GLY CA C 13 45.391 0.021 . . . . . . A 59 GLY CA . 34511 1 688 . 1 . 1 59 59 GLY N N 15 108.099 0.008 . . . . . . A 59 GLY N . 34511 1 689 . 1 . 1 60 60 LYS H H 1 7.916 0.002 . . . . . . A 60 LYS H . 34511 1 690 . 1 . 1 60 60 LYS HA H 1 4.402 0.001 . . . . . . A 60 LYS HA . 34511 1 691 . 1 . 1 60 60 LYS HB2 H 1 1.795 0.000 . . . . . . A 60 LYS HB2 . 34511 1 692 . 1 . 1 60 60 LYS HB3 H 1 1.795 0.000 . . . . . . A 60 LYS HB3 . 34511 1 693 . 1 . 1 60 60 LYS HG2 H 1 1.314 0.011 . . . . . . A 60 LYS HG2 . 34511 1 694 . 1 . 1 60 60 LYS HG3 H 1 1.314 0.011 . . . . . . A 60 LYS HG3 . 34511 1 695 . 1 . 1 60 60 LYS HD2 H 1 1.632 0.000 . . . . . . A 60 LYS HD2 . 34511 1 696 . 1 . 1 60 60 LYS HD3 H 1 1.632 0.000 . . . . . . A 60 LYS HD3 . 34511 1 697 . 1 . 1 60 60 LYS HE2 H 1 2.946 0.000 . . . . . . A 60 LYS HE2 . 34511 1 698 . 1 . 1 60 60 LYS HE3 H 1 2.946 0.000 . . . . . . A 60 LYS HE3 . 34511 1 699 . 1 . 1 60 60 LYS C C 13 177.018 0.002 . . . . . . A 60 LYS C . 34511 1 700 . 1 . 1 60 60 LYS CA C 13 55.730 0.027 . . . . . . A 60 LYS CA . 34511 1 701 . 1 . 1 60 60 LYS CB C 13 32.938 0.012 . . . . . . A 60 LYS CB . 34511 1 702 . 1 . 1 60 60 LYS CG C 13 25.187 0.073 . . . . . . A 60 LYS CG . 34511 1 703 . 1 . 1 60 60 LYS CD C 13 28.879 0.002 . . . . . . A 60 LYS CD . 34511 1 704 . 1 . 1 60 60 LYS N N 15 120.675 0.008 . . . . . . A 60 LYS N . 34511 1 705 . 1 . 1 61 61 MET H H 1 8.593 0.002 . . . . . . A 61 MET H . 34511 1 706 . 1 . 1 61 61 MET HA H 1 4.792 0.000 . . . . . . A 61 MET HA . 34511 1 707 . 1 . 1 61 61 MET HB2 H 1 1.804 0.000 . . . . . . A 61 MET HB2 . 34511 1 708 . 1 . 1 61 61 MET HB3 H 1 2.008 0.000 . . . . . . A 61 MET HB3 . 34511 1 709 . 1 . 1 61 61 MET HG2 H 1 2.539 0.000 . . . . . . A 61 MET HG2 . 34511 1 710 . 1 . 1 61 61 MET HG3 H 1 2.628 0.000 . . . . . . A 61 MET HG3 . 34511 1 711 . 1 . 1 61 61 MET HE1 H 1 1.938 0.000 . . . . . . A 61 MET HE1 . 34511 1 712 . 1 . 1 61 61 MET HE2 H 1 1.938 0.000 . . . . . . A 61 MET HE2 . 34511 1 713 . 1 . 1 61 61 MET HE3 H 1 1.938 0.000 . . . . . . A 61 MET HE3 . 34511 1 714 . 1 . 1 61 61 MET C C 13 176.321 0.005 . . . . . . A 61 MET C . 34511 1 715 . 1 . 1 61 61 MET CA C 13 54.759 0.024 . . . . . . A 61 MET CA . 34511 1 716 . 1 . 1 61 61 MET CB C 13 31.778 0.017 . . . . . . A 61 MET CB . 34511 1 717 . 1 . 1 61 61 MET CG C 13 32.082 0.043 . . . . . . A 61 MET CG . 34511 1 718 . 1 . 1 61 61 MET CE C 13 16.472 0.000 . . . . . . A 61 MET CE . 34511 1 719 . 1 . 1 61 61 MET N N 15 121.407 0.008 . . . . . . A 61 MET N . 34511 1 720 . 1 . 1 62 62 LYS H H 1 8.905 0.003 . . . . . . A 62 LYS H . 34511 1 721 . 1 . 1 62 62 LYS HA H 1 4.501 0.000 . . . . . . A 62 LYS HA . 34511 1 722 . 1 . 1 62 62 LYS HB2 H 1 1.752 0.000 . . . . . . A 62 LYS HB2 . 34511 1 723 . 1 . 1 62 62 LYS HB3 H 1 1.716 0.000 . . . . . . A 62 LYS HB3 . 34511 1 724 . 1 . 1 62 62 LYS HG2 H 1 1.355 0.001 . . . . . . A 62 LYS HG2 . 34511 1 725 . 1 . 1 62 62 LYS HG3 H 1 1.355 0.001 . . . . . . A 62 LYS HG3 . 34511 1 726 . 1 . 1 62 62 LYS HD2 H 1 1.630 0.000 . . . . . . A 62 LYS HD2 . 34511 1 727 . 1 . 1 62 62 LYS HD3 H 1 1.630 0.000 . . . . . . A 62 LYS HD3 . 34511 1 728 . 1 . 1 62 62 LYS HE2 H 1 2.939 0.000 . . . . . . A 62 LYS HE2 . 34511 1 729 . 1 . 1 62 62 LYS HE3 H 1 2.939 0.000 . . . . . . A 62 LYS HE3 . 34511 1 730 . 1 . 1 62 62 LYS C C 13 175.061 0.003 . . . . . . A 62 LYS C . 34511 1 731 . 1 . 1 62 62 LYS CA C 13 55.265 0.033 . . . . . . A 62 LYS CA . 34511 1 732 . 1 . 1 62 62 LYS CB C 13 34.491 0.013 . . . . . . A 62 LYS CB . 34511 1 733 . 1 . 1 62 62 LYS CG C 13 24.402 0.028 . . . . . . A 62 LYS CG . 34511 1 734 . 1 . 1 62 62 LYS CD C 13 29.132 0.000 . . . . . . A 62 LYS CD . 34511 1 735 . 1 . 1 62 62 LYS N N 15 123.071 0.016 . . . . . . A 62 LYS N . 34511 1 736 . 1 . 1 63 63 ASP H H 1 8.398 0.002 . . . . . . A 63 ASP H . 34511 1 737 . 1 . 1 63 63 ASP HA H 1 4.852 0.000 . . . . . . A 63 ASP HA . 34511 1 738 . 1 . 1 63 63 ASP HB2 H 1 2.538 0.000 . . . . . . A 63 ASP HB2 . 34511 1 739 . 1 . 1 63 63 ASP HB3 H 1 2.671 0.000 . . . . . . A 63 ASP HB3 . 34511 1 740 . 1 . 1 63 63 ASP C C 13 176.354 0.004 . . . . . . A 63 ASP C . 34511 1 741 . 1 . 1 63 63 ASP CA C 13 54.423 0.231 . . . . . . A 63 ASP CA . 34511 1 742 . 1 . 1 63 63 ASP CB C 13 41.571 0.030 . . . . . . A 63 ASP CB . 34511 1 743 . 1 . 1 63 63 ASP N N 15 121.983 0.011 . . . . . . A 63 ASP N . 34511 1 744 . 1 . 1 64 64 LEU H H 1 8.356 0.002 . . . . . . A 64 LEU H . 34511 1 745 . 1 . 1 64 64 LEU HA H 1 4.533 0.000 . . . . . . A 64 LEU HA . 34511 1 746 . 1 . 1 64 64 LEU HB2 H 1 1.636 0.000 . . . . . . A 64 LEU HB2 . 34511 1 747 . 1 . 1 64 64 LEU HB3 H 1 1.636 0.000 . . . . . . A 64 LEU HB3 . 34511 1 748 . 1 . 1 64 64 LEU HG H 1 1.557 0.000 . . . . . . A 64 LEU HG . 34511 1 749 . 1 . 1 64 64 LEU HD11 H 1 0.849 0.000 . . . . . . A 64 LEU HD11 . 34511 1 750 . 1 . 1 64 64 LEU HD12 H 1 0.849 0.000 . . . . . . A 64 LEU HD12 . 34511 1 751 . 1 . 1 64 64 LEU HD13 H 1 0.849 0.000 . . . . . . A 64 LEU HD13 . 34511 1 752 . 1 . 1 64 64 LEU HD21 H 1 0.826 0.000 . . . . . . A 64 LEU HD21 . 34511 1 753 . 1 . 1 64 64 LEU HD22 H 1 0.826 0.000 . . . . . . A 64 LEU HD22 . 34511 1 754 . 1 . 1 64 64 LEU HD23 H 1 0.826 0.000 . . . . . . A 64 LEU HD23 . 34511 1 755 . 1 . 1 64 64 LEU C C 13 177.199 0.002 . . . . . . A 64 LEU C . 34511 1 756 . 1 . 1 64 64 LEU CA C 13 53.825 0.031 . . . . . . A 64 LEU CA . 34511 1 757 . 1 . 1 64 64 LEU CB C 13 42.669 0.022 . . . . . . A 64 LEU CB . 34511 1 758 . 1 . 1 64 64 LEU CG C 13 27.051 0.085 . . . . . . A 64 LEU CG . 34511 1 759 . 1 . 1 64 64 LEU CD1 C 13 25.483 0.054 . . . . . . A 64 LEU CD1 . 34511 1 760 . 1 . 1 64 64 LEU CD2 C 13 22.794 0.038 . . . . . . A 64 LEU CD2 . 34511 1 761 . 1 . 1 64 64 LEU N N 15 123.342 0.002 . . . . . . A 64 LEU N . 34511 1 762 . 1 . 1 65 65 SER H H 1 8.297 0.002 . . . . . . A 65 SER H . 34511 1 763 . 1 . 1 65 65 SER HA H 1 4.611 0.000 . . . . . . A 65 SER HA . 34511 1 764 . 1 . 1 65 65 SER HB2 H 1 3.955 0.000 . . . . . . A 65 SER HB2 . 34511 1 765 . 1 . 1 65 65 SER HB3 H 1 3.553 0.000 . . . . . . A 65 SER HB3 . 34511 1 766 . 1 . 1 65 65 SER C C 13 172.271 0.000 . . . . . . A 65 SER C . 34511 1 767 . 1 . 1 65 65 SER CA C 13 57.869 0.047 . . . . . . A 65 SER CA . 34511 1 768 . 1 . 1 65 65 SER CB C 13 62.747 0.020 . . . . . . A 65 SER CB . 34511 1 769 . 1 . 1 65 65 SER N N 15 117.867 0.018 . . . . . . A 65 SER N . 34511 1 770 . 1 . 1 66 66 PRO HA H 1 4.479 0.000 . . . . . . A 66 PRO HA . 34511 1 771 . 1 . 1 66 66 PRO HB2 H 1 1.948 0.000 . . . . . . A 66 PRO HB2 . 34511 1 772 . 1 . 1 66 66 PRO HB3 H 1 1.948 0.000 . . . . . . A 66 PRO HB3 . 34511 1 773 . 1 . 1 66 66 PRO HG2 H 1 1.627 0.000 . . . . . . A 66 PRO HG2 . 34511 1 774 . 1 . 1 66 66 PRO HG3 H 1 1.627 0.000 . . . . . . A 66 PRO HG3 . 34511 1 775 . 1 . 1 66 66 PRO HD2 H 1 3.880 0.000 . . . . . . A 66 PRO HD2 . 34511 1 776 . 1 . 1 66 66 PRO HD3 H 1 4.028 0.000 . . . . . . A 66 PRO HD3 . 34511 1 777 . 1 . 1 66 66 PRO C C 13 175.014 0.001 . . . . . . A 66 PRO C . 34511 1 778 . 1 . 1 66 66 PRO CA C 13 63.533 0.085 . . . . . . A 66 PRO CA . 34511 1 779 . 1 . 1 66 66 PRO CB C 13 32.502 0.047 . . . . . . A 66 PRO CB . 34511 1 780 . 1 . 1 66 66 PRO CG C 13 27.287 0.093 . . . . . . A 66 PRO CG . 34511 1 781 . 1 . 1 66 66 PRO CD C 13 50.937 0.000 . . . . . . A 66 PRO CD . 34511 1 782 . 1 . 1 67 67 ARG H H 1 8.147 0.003 . . . . . . A 67 ARG H . 34511 1 783 . 1 . 1 67 67 ARG HA H 1 5.193 0.000 . . . . . . A 67 ARG HA . 34511 1 784 . 1 . 1 67 67 ARG HB2 H 1 1.437 0.000 . . . . . . A 67 ARG HB2 . 34511 1 785 . 1 . 1 67 67 ARG HB3 H 1 1.740 0.000 . . . . . . A 67 ARG HB3 . 34511 1 786 . 1 . 1 67 67 ARG HG2 H 1 1.677 0.000 . . . . . . A 67 ARG HG2 . 34511 1 787 . 1 . 1 67 67 ARG HG3 H 1 1.714 0.000 . . . . . . A 67 ARG HG3 . 34511 1 788 . 1 . 1 67 67 ARG HD2 H 1 3.134 0.000 . . . . . . A 67 ARG HD2 . 34511 1 789 . 1 . 1 67 67 ARG HD3 H 1 3.041 0.000 . . . . . . A 67 ARG HD3 . 34511 1 790 . 1 . 1 67 67 ARG HE H 1 7.301 0.000 . . . . . . A 67 ARG HE . 34511 1 791 . 1 . 1 67 67 ARG C C 13 174.239 0.005 . . . . . . A 67 ARG C . 34511 1 792 . 1 . 1 67 67 ARG CA C 13 54.697 0.048 . . . . . . A 67 ARG CA . 34511 1 793 . 1 . 1 67 67 ARG CB C 13 34.995 0.039 . . . . . . A 67 ARG CB . 34511 1 794 . 1 . 1 67 67 ARG CG C 13 28.503 0.037 . . . . . . A 67 ARG CG . 34511 1 795 . 1 . 1 67 67 ARG CD C 13 43.820 0.022 . . . . . . A 67 ARG CD . 34511 1 796 . 1 . 1 67 67 ARG N N 15 120.142 0.009 . . . . . . A 67 ARG N . 34511 1 797 . 1 . 1 67 67 ARG NE N 15 85.515 0.000 . . . . . . A 67 ARG NE . 34511 1 798 . 1 . 1 68 68 TRP H H 1 9.359 0.003 . . . . . . A 68 TRP H . 34511 1 799 . 1 . 1 68 68 TRP HA H 1 5.282 0.000 . . . . . . A 68 TRP HA . 34511 1 800 . 1 . 1 68 68 TRP HB2 H 1 3.052 0.000 . . . . . . A 68 TRP HB2 . 34511 1 801 . 1 . 1 68 68 TRP HB3 H 1 3.079 0.000 . . . . . . A 68 TRP HB3 . 34511 1 802 . 1 . 1 68 68 TRP HD1 H 1 7.163 0.002 . . . . . . A 68 TRP HD1 . 34511 1 803 . 1 . 1 68 68 TRP HE1 H 1 11.042 0.000 . . . . . . A 68 TRP HE1 . 34511 1 804 . 1 . 1 68 68 TRP HE3 H 1 7.276 0.000 . . . . . . A 68 TRP HE3 . 34511 1 805 . 1 . 1 68 68 TRP HZ2 H 1 7.768 0.000 . . . . . . A 68 TRP HZ2 . 34511 1 806 . 1 . 1 68 68 TRP HZ3 H 1 6.912 0.000 . . . . . . A 68 TRP HZ3 . 34511 1 807 . 1 . 1 68 68 TRP HH2 H 1 7.222 0.000 . . . . . . A 68 TRP HH2 . 34511 1 808 . 1 . 1 68 68 TRP C C 13 175.189 0.079 . . . . . . A 68 TRP C . 34511 1 809 . 1 . 1 68 68 TRP CA C 13 55.810 0.047 . . . . . . A 68 TRP CA . 34511 1 810 . 1 . 1 68 68 TRP CB C 13 31.192 0.020 . . . . . . A 68 TRP CB . 34511 1 811 . 1 . 1 68 68 TRP CD1 C 13 125.767 0.058 . . . . . . A 68 TRP CD1 . 34511 1 812 . 1 . 1 68 68 TRP CE3 C 13 121.082 0.000 . . . . . . A 68 TRP CE3 . 34511 1 813 . 1 . 1 68 68 TRP CZ2 C 13 113.436 0.000 . . . . . . A 68 TRP CZ2 . 34511 1 814 . 1 . 1 68 68 TRP CZ3 C 13 123.366 0.000 . . . . . . A 68 TRP CZ3 . 34511 1 815 . 1 . 1 68 68 TRP CH2 C 13 124.315 0.000 . . . . . . A 68 TRP CH2 . 34511 1 816 . 1 . 1 68 68 TRP N N 15 121.408 0.014 . . . . . . A 68 TRP N . 34511 1 817 . 1 . 1 68 68 TRP NE1 N 15 129.885 0.000 . . . . . . A 68 TRP NE1 . 34511 1 818 . 1 . 1 69 69 TYR H H 1 8.568 0.002 . . . . . . A 69 TYR H . 34511 1 819 . 1 . 1 69 69 TYR HA H 1 5.459 0.000 . . . . . . A 69 TYR HA . 34511 1 820 . 1 . 1 69 69 TYR HB2 H 1 2.947 0.000 . . . . . . A 69 TYR HB2 . 34511 1 821 . 1 . 1 69 69 TYR HB3 H 1 2.695 0.000 . . . . . . A 69 TYR HB3 . 34511 1 822 . 1 . 1 69 69 TYR HD1 H 1 7.239 0.000 . . . . . . A 69 TYR HD1 . 34511 1 823 . 1 . 1 69 69 TYR HD2 H 1 7.239 0.000 . . . . . . A 69 TYR HD2 . 34511 1 824 . 1 . 1 69 69 TYR HE1 H 1 6.828 0.000 . . . . . . A 69 TYR HE1 . 34511 1 825 . 1 . 1 69 69 TYR HE2 H 1 6.828 0.000 . . . . . . A 69 TYR HE2 . 34511 1 826 . 1 . 1 69 69 TYR C C 13 175.238 0.078 . . . . . . A 69 TYR C . 34511 1 827 . 1 . 1 69 69 TYR CA C 13 56.356 0.093 . . . . . . A 69 TYR CA . 34511 1 828 . 1 . 1 69 69 TYR CB C 13 43.180 0.057 . . . . . . A 69 TYR CB . 34511 1 829 . 1 . 1 69 69 TYR CD1 C 13 133.492 0.000 . . . . . . A 69 TYR CD1 . 34511 1 830 . 1 . 1 69 69 TYR CE1 C 13 118.758 0.000 . . . . . . A 69 TYR CE1 . 34511 1 831 . 1 . 1 69 69 TYR N N 15 119.687 0.033 . . . . . . A 69 TYR N . 34511 1 832 . 1 . 1 70 70 PHE H H 1 9.479 0.002 . . . . . . A 70 PHE H . 34511 1 833 . 1 . 1 70 70 PHE HA H 1 4.474 0.000 . . . . . . A 70 PHE HA . 34511 1 834 . 1 . 1 70 70 PHE HB2 H 1 2.132 0.000 . . . . . . A 70 PHE HB2 . 34511 1 835 . 1 . 1 70 70 PHE HB3 H 1 1.961 0.000 . . . . . . A 70 PHE HB3 . 34511 1 836 . 1 . 1 70 70 PHE HD1 H 1 6.524 0.000 . . . . . . A 70 PHE HD1 . 34511 1 837 . 1 . 1 70 70 PHE HD2 H 1 6.524 0.000 . . . . . . A 70 PHE HD2 . 34511 1 838 . 1 . 1 70 70 PHE HE1 H 1 6.409 0.003 . . . . . . A 70 PHE HE1 . 34511 1 839 . 1 . 1 70 70 PHE HE2 H 1 6.409 0.003 . . . . . . A 70 PHE HE2 . 34511 1 840 . 1 . 1 70 70 PHE HZ H 1 6.298 0.000 . . . . . . A 70 PHE HZ . 34511 1 841 . 1 . 1 70 70 PHE CA C 13 57.011 0.056 . . . . . . A 70 PHE CA . 34511 1 842 . 1 . 1 70 70 PHE CB C 13 39.792 0.032 . . . . . . A 70 PHE CB . 34511 1 843 . 1 . 1 70 70 PHE CD1 C 13 131.779 0.000 . . . . . . A 70 PHE CD1 . 34511 1 844 . 1 . 1 70 70 PHE CE1 C 13 129.868 0.000 . . . . . . A 70 PHE CE1 . 34511 1 845 . 1 . 1 70 70 PHE CZ C 13 128.253 0.000 . . . . . . A 70 PHE CZ . 34511 1 846 . 1 . 1 70 70 PHE N N 15 121.531 0.016 . . . . . . A 70 PHE N . 34511 1 847 . 1 . 1 71 71 TYR H H 1 8.295 0.003 . . . . . . A 71 TYR H . 34511 1 848 . 1 . 1 71 71 TYR HA H 1 3.767 0.000 . . . . . . A 71 TYR HA . 34511 1 849 . 1 . 1 71 71 TYR HB2 H 1 2.374 0.000 . . . . . . A 71 TYR HB2 . 34511 1 850 . 1 . 1 71 71 TYR HB3 H 1 1.061 0.000 . . . . . . A 71 TYR HB3 . 34511 1 851 . 1 . 1 71 71 TYR HD1 H 1 6.848 0.000 . . . . . . A 71 TYR HD1 . 34511 1 852 . 1 . 1 71 71 TYR HD2 H 1 6.848 0.000 . . . . . . A 71 TYR HD2 . 34511 1 853 . 1 . 1 71 71 TYR HE1 H 1 6.399 0.000 . . . . . . A 71 TYR HE1 . 34511 1 854 . 1 . 1 71 71 TYR HE2 H 1 6.399 0.000 . . . . . . A 71 TYR HE2 . 34511 1 855 . 1 . 1 71 71 TYR C C 13 171.832 0.002 . . . . . . A 71 TYR C . 34511 1 856 . 1 . 1 71 71 TYR CA C 13 57.076 0.050 . . . . . . A 71 TYR CA . 34511 1 857 . 1 . 1 71 71 TYR CB C 13 40.722 0.017 . . . . . . A 71 TYR CB . 34511 1 858 . 1 . 1 71 71 TYR CD1 C 13 132.236 0.000 . . . . . . A 71 TYR CD1 . 34511 1 859 . 1 . 1 71 71 TYR CE1 C 13 118.702 0.000 . . . . . . A 71 TYR CE1 . 34511 1 860 . 1 . 1 71 71 TYR N N 15 128.449 0.002 . . . . . . A 71 TYR N . 34511 1 861 . 1 . 1 72 72 TYR H H 1 6.844 0.002 . . . . . . A 72 TYR H . 34511 1 862 . 1 . 1 72 72 TYR HA H 1 4.346 0.001 . . . . . . A 72 TYR HA . 34511 1 863 . 1 . 1 72 72 TYR HB2 H 1 2.821 0.000 . . . . . . A 72 TYR HB2 . 34511 1 864 . 1 . 1 72 72 TYR HB3 H 1 3.285 0.000 . . . . . . A 72 TYR HB3 . 34511 1 865 . 1 . 1 72 72 TYR HE1 H 1 6.826 0.000 . . . . . . A 72 TYR HE1 . 34511 1 866 . 1 . 1 72 72 TYR HE2 H 1 6.826 0.000 . . . . . . A 72 TYR HE2 . 34511 1 867 . 1 . 1 72 72 TYR HH H 1 10.702 0.000 . . . . . . A 72 TYR HH . 34511 1 868 . 1 . 1 72 72 TYR C C 13 176.806 0.002 . . . . . . A 72 TYR C . 34511 1 869 . 1 . 1 72 72 TYR CA C 13 60.044 0.023 . . . . . . A 72 TYR CA . 34511 1 870 . 1 . 1 72 72 TYR CB C 13 39.560 0.025 . . . . . . A 72 TYR CB . 34511 1 871 . 1 . 1 72 72 TYR CE1 C 13 182.764 0.000 . . . . . . A 72 TYR CE1 . 34511 1 872 . 1 . 1 72 72 TYR N N 15 116.295 0.014 . . . . . . A 72 TYR N . 34511 1 873 . 1 . 1 73 73 LEU H H 1 9.070 0.002 . . . . . . A 73 LEU H . 34511 1 874 . 1 . 1 73 73 LEU HA H 1 4.461 0.000 . . . . . . A 73 LEU HA . 34511 1 875 . 1 . 1 73 73 LEU HB2 H 1 2.182 0.000 . . . . . . A 73 LEU HB2 . 34511 1 876 . 1 . 1 73 73 LEU HB3 H 1 1.716 0.000 . . . . . . A 73 LEU HB3 . 34511 1 877 . 1 . 1 73 73 LEU HG H 1 1.724 0.000 . . . . . . A 73 LEU HG . 34511 1 878 . 1 . 1 73 73 LEU HD11 H 1 1.114 0.000 . . . . . . A 73 LEU HD11 . 34511 1 879 . 1 . 1 73 73 LEU HD12 H 1 1.114 0.000 . . . . . . A 73 LEU HD12 . 34511 1 880 . 1 . 1 73 73 LEU HD13 H 1 1.114 0.000 . . . . . . A 73 LEU HD13 . 34511 1 881 . 1 . 1 73 73 LEU HD21 H 1 1.412 0.000 . . . . . . A 73 LEU HD21 . 34511 1 882 . 1 . 1 73 73 LEU HD22 H 1 1.412 0.000 . . . . . . A 73 LEU HD22 . 34511 1 883 . 1 . 1 73 73 LEU HD23 H 1 1.412 0.000 . . . . . . A 73 LEU HD23 . 34511 1 884 . 1 . 1 73 73 LEU C C 13 176.323 0.001 . . . . . . A 73 LEU C . 34511 1 885 . 1 . 1 73 73 LEU CA C 13 56.997 0.059 . . . . . . A 73 LEU CA . 34511 1 886 . 1 . 1 73 73 LEU CB C 13 45.361 0.020 . . . . . . A 73 LEU CB . 34511 1 887 . 1 . 1 73 73 LEU CG C 13 27.337 0.000 . . . . . . A 73 LEU CG . 34511 1 888 . 1 . 1 73 73 LEU CD1 C 13 27.258 0.040 . . . . . . A 73 LEU CD1 . 34511 1 889 . 1 . 1 73 73 LEU CD2 C 13 25.202 0.000 . . . . . . A 73 LEU CD2 . 34511 1 890 . 1 . 1 73 73 LEU N N 15 124.818 0.014 . . . . . . A 73 LEU N . 34511 1 891 . 1 . 1 74 74 GLY H H 1 9.911 0.003 . . . . . . A 74 GLY H . 34511 1 892 . 1 . 1 74 74 GLY HA2 H 1 4.072 0.000 . . . . . . A 74 GLY HA2 . 34511 1 893 . 1 . 1 74 74 GLY HA3 H 1 4.831 0.000 . . . . . . A 74 GLY HA3 . 34511 1 894 . 1 . 1 74 74 GLY C C 13 173.595 0.005 . . . . . . A 74 GLY C . 34511 1 895 . 1 . 1 74 74 GLY CA C 13 46.116 0.030 . . . . . . A 74 GLY CA . 34511 1 896 . 1 . 1 74 74 GLY N N 15 114.288 0.017 . . . . . . A 74 GLY N . 34511 1 897 . 1 . 1 75 75 THR H H 1 8.159 0.003 . . . . . . A 75 THR H . 34511 1 898 . 1 . 1 75 75 THR HA H 1 5.049 0.000 . . . . . . A 75 THR HA . 34511 1 899 . 1 . 1 75 75 THR HB H 1 4.209 0.000 . . . . . . A 75 THR HB . 34511 1 900 . 1 . 1 75 75 THR HG21 H 1 1.126 0.000 . . . . . . A 75 THR HG21 . 34511 1 901 . 1 . 1 75 75 THR HG22 H 1 1.126 0.000 . . . . . . A 75 THR HG22 . 34511 1 902 . 1 . 1 75 75 THR HG23 H 1 1.126 0.000 . . . . . . A 75 THR HG23 . 34511 1 903 . 1 . 1 75 75 THR C C 13 174.589 0.003 . . . . . . A 75 THR C . 34511 1 904 . 1 . 1 75 75 THR CA C 13 59.416 0.028 . . . . . . A 75 THR CA . 34511 1 905 . 1 . 1 75 75 THR CB C 13 73.712 0.015 . . . . . . A 75 THR CB . 34511 1 906 . 1 . 1 75 75 THR CG2 C 13 21.513 0.044 . . . . . . A 75 THR CG2 . 34511 1 907 . 1 . 1 75 75 THR N N 15 108.708 0.024 . . . . . . A 75 THR N . 34511 1 908 . 1 . 1 76 76 GLY H H 1 9.145 0.002 . . . . . . A 76 GLY H . 34511 1 909 . 1 . 1 76 76 GLY HA2 H 1 3.598 0.000 . . . . . . A 76 GLY HA2 . 34511 1 910 . 1 . 1 76 76 GLY HA3 H 1 3.344 0.000 . . . . . . A 76 GLY HA3 . 34511 1 911 . 1 . 1 76 76 GLY C C 13 172.338 0.000 . . . . . . A 76 GLY C . 34511 1 912 . 1 . 1 76 76 GLY CA C 13 45.754 0.027 . . . . . . A 76 GLY CA . 34511 1 913 . 1 . 1 76 76 GLY N N 15 107.009 0.018 . . . . . . A 76 GLY N . 34511 1 914 . 1 . 1 77 77 PRO HA H 1 4.156 0.000 . . . . . . A 77 PRO HA . 34511 1 915 . 1 . 1 77 77 PRO HB2 H 1 2.306 0.000 . . . . . . A 77 PRO HB2 . 34511 1 916 . 1 . 1 77 77 PRO HB3 H 1 1.575 0.000 . . . . . . A 77 PRO HB3 . 34511 1 917 . 1 . 1 77 77 PRO HG2 H 1 1.794 0.000 . . . . . . A 77 PRO HG2 . 34511 1 918 . 1 . 1 77 77 PRO HG3 H 1 1.559 0.000 . . . . . . A 77 PRO HG3 . 34511 1 919 . 1 . 1 77 77 PRO HD2 H 1 2.767 0.000 . . . . . . A 77 PRO HD2 . 34511 1 920 . 1 . 1 77 77 PRO HD3 H 1 2.165 0.000 . . . . . . A 77 PRO HD3 . 34511 1 921 . 1 . 1 77 77 PRO C C 13 177.310 0.002 . . . . . . A 77 PRO C . 34511 1 922 . 1 . 1 77 77 PRO CA C 13 64.642 0.031 . . . . . . A 77 PRO CA . 34511 1 923 . 1 . 1 77 77 PRO CB C 13 32.168 0.028 . . . . . . A 77 PRO CB . 34511 1 924 . 1 . 1 77 77 PRO CG C 13 27.699 0.056 . . . . . . A 77 PRO CG . 34511 1 925 . 1 . 1 77 77 PRO CD C 13 48.496 0.013 . . . . . . A 77 PRO CD . 34511 1 926 . 1 . 1 78 78 GLU H H 1 7.627 0.002 . . . . . . A 78 GLU H . 34511 1 927 . 1 . 1 78 78 GLU HA H 1 4.813 0.000 . . . . . . A 78 GLU HA . 34511 1 928 . 1 . 1 78 78 GLU HB2 H 1 0.685 0.000 . . . . . . A 78 GLU HB2 . 34511 1 929 . 1 . 1 78 78 GLU HB3 H 1 2.005 0.000 . . . . . . A 78 GLU HB3 . 34511 1 930 . 1 . 1 78 78 GLU HG2 H 1 1.851 0.000 . . . . . . A 78 GLU HG2 . 34511 1 931 . 1 . 1 78 78 GLU HG3 H 1 1.654 0.000 . . . . . . A 78 GLU HG3 . 34511 1 932 . 1 . 1 78 78 GLU C C 13 177.038 0.002 . . . . . . A 78 GLU C . 34511 1 933 . 1 . 1 78 78 GLU CA C 13 52.707 0.029 . . . . . . A 78 GLU CA . 34511 1 934 . 1 . 1 78 78 GLU CB C 13 25.609 0.032 . . . . . . A 78 GLU CB . 34511 1 935 . 1 . 1 78 78 GLU CG C 13 34.194 0.056 . . . . . . A 78 GLU CG . 34511 1 936 . 1 . 1 78 78 GLU N N 15 114.731 0.013 . . . . . . A 78 GLU N . 34511 1 937 . 1 . 1 79 79 ALA H H 1 6.997 0.002 . . . . . . A 79 ALA H . 34511 1 938 . 1 . 1 79 79 ALA HA H 1 3.622 0.000 . . . . . . A 79 ALA HA . 34511 1 939 . 1 . 1 79 79 ALA HB1 H 1 1.275 0.000 . . . . . . A 79 ALA HB1 . 34511 1 940 . 1 . 1 79 79 ALA HB2 H 1 1.275 0.000 . . . . . . A 79 ALA HB2 . 34511 1 941 . 1 . 1 79 79 ALA HB3 H 1 1.275 0.000 . . . . . . A 79 ALA HB3 . 34511 1 942 . 1 . 1 79 79 ALA C C 13 177.364 0.002 . . . . . . A 79 ALA C . 34511 1 943 . 1 . 1 79 79 ALA CA C 13 55.516 0.007 . . . . . . A 79 ALA CA . 34511 1 944 . 1 . 1 79 79 ALA CB C 13 18.698 0.006 . . . . . . A 79 ALA CB . 34511 1 945 . 1 . 1 79 79 ALA N N 15 123.018 0.018 . . . . . . A 79 ALA N . 34511 1 946 . 1 . 1 80 80 GLY H H 1 8.253 0.002 . . . . . . A 80 GLY H . 34511 1 947 . 1 . 1 80 80 GLY HA2 H 1 4.095 0.000 . . . . . . A 80 GLY HA2 . 34511 1 948 . 1 . 1 80 80 GLY HA3 H 1 3.553 0.000 . . . . . . A 80 GLY HA3 . 34511 1 949 . 1 . 1 80 80 GLY C C 13 174.756 0.002 . . . . . . A 80 GLY C . 34511 1 950 . 1 . 1 80 80 GLY CA C 13 44.887 0.011 . . . . . . A 80 GLY CA . 34511 1 951 . 1 . 1 80 80 GLY N N 15 101.002 0.012 . . . . . . A 80 GLY N . 34511 1 952 . 1 . 1 81 81 LEU H H 1 7.537 0.002 . . . . . . A 81 LEU H . 34511 1 953 . 1 . 1 81 81 LEU HA H 1 4.642 0.000 . . . . . . A 81 LEU HA . 34511 1 954 . 1 . 1 81 81 LEU HB2 H 1 1.725 0.000 . . . . . . A 81 LEU HB2 . 34511 1 955 . 1 . 1 81 81 LEU HB3 H 1 1.848 0.000 . . . . . . A 81 LEU HB3 . 34511 1 956 . 1 . 1 81 81 LEU HG H 1 1.855 0.000 . . . . . . A 81 LEU HG . 34511 1 957 . 1 . 1 81 81 LEU HD11 H 1 0.835 0.000 . . . . . . A 81 LEU HD11 . 34511 1 958 . 1 . 1 81 81 LEU HD12 H 1 0.835 0.000 . . . . . . A 81 LEU HD12 . 34511 1 959 . 1 . 1 81 81 LEU HD13 H 1 0.835 0.000 . . . . . . A 81 LEU HD13 . 34511 1 960 . 1 . 1 81 81 LEU HD21 H 1 0.812 0.000 . . . . . . A 81 LEU HD21 . 34511 1 961 . 1 . 1 81 81 LEU HD22 H 1 0.812 0.000 . . . . . . A 81 LEU HD22 . 34511 1 962 . 1 . 1 81 81 LEU HD23 H 1 0.812 0.000 . . . . . . A 81 LEU HD23 . 34511 1 963 . 1 . 1 81 81 LEU C C 13 174.909 0.000 . . . . . . A 81 LEU C . 34511 1 964 . 1 . 1 81 81 LEU CA C 13 52.287 0.023 . . . . . . A 81 LEU CA . 34511 1 965 . 1 . 1 81 81 LEU CB C 13 42.420 0.023 . . . . . . A 81 LEU CB . 34511 1 966 . 1 . 1 81 81 LEU CG C 13 26.439 0.000 . . . . . . A 81 LEU CG . 34511 1 967 . 1 . 1 81 81 LEU CD1 C 13 25.750 0.000 . . . . . . A 81 LEU CD1 . 34511 1 968 . 1 . 1 81 81 LEU CD2 C 13 23.802 0.000 . . . . . . A 81 LEU CD2 . 34511 1 969 . 1 . 1 81 81 LEU N N 15 122.941 0.014 . . . . . . A 81 LEU N . 34511 1 970 . 1 . 1 82 82 PRO HA H 1 4.374 0.000 . . . . . . A 82 PRO HA . 34511 1 971 . 1 . 1 82 82 PRO HB2 H 1 2.154 0.000 . . . . . . A 82 PRO HB2 . 34511 1 972 . 1 . 1 82 82 PRO HB3 H 1 1.724 0.000 . . . . . . A 82 PRO HB3 . 34511 1 973 . 1 . 1 82 82 PRO HG2 H 1 1.893 0.000 . . . . . . A 82 PRO HG2 . 34511 1 974 . 1 . 1 82 82 PRO HG3 H 1 1.977 0.000 . . . . . . A 82 PRO HG3 . 34511 1 975 . 1 . 1 82 82 PRO HD2 H 1 3.556 0.000 . . . . . . A 82 PRO HD2 . 34511 1 976 . 1 . 1 82 82 PRO HD3 H 1 3.946 0.000 . . . . . . A 82 PRO HD3 . 34511 1 977 . 1 . 1 82 82 PRO C C 13 174.246 0.006 . . . . . . A 82 PRO C . 34511 1 978 . 1 . 1 82 82 PRO CA C 13 61.375 0.023 . . . . . . A 82 PRO CA . 34511 1 979 . 1 . 1 82 82 PRO CB C 13 31.933 0.015 . . . . . . A 82 PRO CB . 34511 1 980 . 1 . 1 82 82 PRO CG C 13 26.828 0.056 . . . . . . A 82 PRO CG . 34511 1 981 . 1 . 1 82 82 PRO CD C 13 50.617 0.043 . . . . . . A 82 PRO CD . 34511 1 982 . 1 . 1 83 83 TYR H H 1 8.497 0.002 . . . . . . A 83 TYR H . 34511 1 983 . 1 . 1 83 83 TYR HA H 1 1.625 0.000 . . . . . . A 83 TYR HA . 34511 1 984 . 1 . 1 83 83 TYR HB2 H 1 2.647 0.000 . . . . . . A 83 TYR HB2 . 34511 1 985 . 1 . 1 83 83 TYR HB3 H 1 2.425 0.000 . . . . . . A 83 TYR HB3 . 34511 1 986 . 1 . 1 83 83 TYR HD1 H 1 6.808 0.000 . . . . . . A 83 TYR HD1 . 34511 1 987 . 1 . 1 83 83 TYR HD2 H 1 6.808 0.000 . . . . . . A 83 TYR HD2 . 34511 1 988 . 1 . 1 83 83 TYR HE1 H 1 7.002 0.000 . . . . . . A 83 TYR HE1 . 34511 1 989 . 1 . 1 83 83 TYR HE2 H 1 7.002 0.000 . . . . . . A 83 TYR HE2 . 34511 1 990 . 1 . 1 83 83 TYR C C 13 177.083 0.000 . . . . . . A 83 TYR C . 34511 1 991 . 1 . 1 83 83 TYR CA C 13 59.456 0.047 . . . . . . A 83 TYR CA . 34511 1 992 . 1 . 1 83 83 TYR CB C 13 37.825 0.020 . . . . . . A 83 TYR CB . 34511 1 993 . 1 . 1 83 83 TYR CD1 C 13 133.309 0.000 . . . . . . A 83 TYR CD1 . 34511 1 994 . 1 . 1 83 83 TYR CE1 C 13 118.800 0.000 . . . . . . A 83 TYR CE1 . 34511 1 995 . 1 . 1 83 83 TYR N N 15 118.889 0.022 . . . . . . A 83 TYR N . 34511 1 996 . 1 . 1 84 84 GLY HA2 H 1 2.539 0.000 . . . . . . A 84 GLY HA2 . 34511 1 997 . 1 . 1 84 84 GLY HA3 H 1 3.610 0.000 . . . . . . A 84 GLY HA3 . 34511 1 998 . 1 . 1 84 84 GLY C C 13 173.908 0.000 . . . . . . A 84 GLY C . 34511 1 999 . 1 . 1 84 84 GLY CA C 13 44.759 0.025 . . . . . . A 84 GLY CA . 34511 1 1000 . 1 . 1 85 85 ALA H H 1 7.321 0.001 . . . . . . A 85 ALA H . 34511 1 1001 . 1 . 1 85 85 ALA HA H 1 4.089 0.000 . . . . . . A 85 ALA HA . 34511 1 1002 . 1 . 1 85 85 ALA HB1 H 1 1.479 0.000 . . . . . . A 85 ALA HB1 . 34511 1 1003 . 1 . 1 85 85 ALA HB2 H 1 1.479 0.000 . . . . . . A 85 ALA HB2 . 34511 1 1004 . 1 . 1 85 85 ALA HB3 H 1 1.479 0.000 . . . . . . A 85 ALA HB3 . 34511 1 1005 . 1 . 1 85 85 ALA C C 13 177.930 0.002 . . . . . . A 85 ALA C . 34511 1 1006 . 1 . 1 85 85 ALA CA C 13 53.158 0.022 . . . . . . A 85 ALA CA . 34511 1 1007 . 1 . 1 85 85 ALA CB C 13 19.782 0.032 . . . . . . A 85 ALA CB . 34511 1 1008 . 1 . 1 85 85 ALA N N 15 123.634 0.009 . . . . . . A 85 ALA N . 34511 1 1009 . 1 . 1 86 86 ASN H H 1 8.768 0.002 . . . . . . A 86 ASN H . 34511 1 1010 . 1 . 1 86 86 ASN HA H 1 4.814 0.000 . . . . . . A 86 ASN HA . 34511 1 1011 . 1 . 1 86 86 ASN HB2 H 1 2.784 0.000 . . . . . . A 86 ASN HB2 . 34511 1 1012 . 1 . 1 86 86 ASN HB3 H 1 2.784 0.000 . . . . . . A 86 ASN HB3 . 34511 1 1013 . 1 . 1 86 86 ASN HD21 H 1 7.605 0.000 . . . . . . A 86 ASN HD21 . 34511 1 1014 . 1 . 1 86 86 ASN HD22 H 1 6.978 0.000 . . . . . . A 86 ASN HD22 . 34511 1 1015 . 1 . 1 86 86 ASN C C 13 174.613 0.002 . . . . . . A 86 ASN C . 34511 1 1016 . 1 . 1 86 86 ASN CA C 13 53.601 0.051 . . . . . . A 86 ASN CA . 34511 1 1017 . 1 . 1 86 86 ASN CB C 13 39.190 0.024 . . . . . . A 86 ASN CB . 34511 1 1018 . 1 . 1 86 86 ASN N N 15 121.826 0.005 . . . . . . A 86 ASN N . 34511 1 1019 . 1 . 1 86 86 ASN ND2 N 15 112.861 0.001 . . . . . . A 86 ASN ND2 . 34511 1 1020 . 1 . 1 87 87 LYS H H 1 8.711 0.002 . . . . . . A 87 LYS H . 34511 1 1021 . 1 . 1 87 87 LYS HA H 1 4.249 0.000 . . . . . . A 87 LYS HA . 34511 1 1022 . 1 . 1 87 87 LYS HB2 H 1 1.680 0.000 . . . . . . A 87 LYS HB2 . 34511 1 1023 . 1 . 1 87 87 LYS HB3 H 1 1.413 0.000 . . . . . . A 87 LYS HB3 . 34511 1 1024 . 1 . 1 87 87 LYS HG2 H 1 1.406 0.000 . . . . . . A 87 LYS HG2 . 34511 1 1025 . 1 . 1 87 87 LYS HG3 H 1 1.359 0.000 . . . . . . A 87 LYS HG3 . 34511 1 1026 . 1 . 1 87 87 LYS HD2 H 1 1.545 0.000 . . . . . . A 87 LYS HD2 . 34511 1 1027 . 1 . 1 87 87 LYS HD3 H 1 1.467 0.000 . . . . . . A 87 LYS HD3 . 34511 1 1028 . 1 . 1 87 87 LYS HE2 H 1 2.924 0.000 . . . . . . A 87 LYS HE2 . 34511 1 1029 . 1 . 1 87 87 LYS HE3 H 1 2.924 0.000 . . . . . . A 87 LYS HE3 . 34511 1 1030 . 1 . 1 87 87 LYS C C 13 174.180 0.007 . . . . . . A 87 LYS C . 34511 1 1031 . 1 . 1 87 87 LYS CA C 13 56.746 0.039 . . . . . . A 87 LYS CA . 34511 1 1032 . 1 . 1 87 87 LYS CB C 13 35.166 0.028 . . . . . . A 87 LYS CB . 34511 1 1033 . 1 . 1 87 87 LYS CG C 13 25.457 0.052 . . . . . . A 87 LYS CG . 34511 1 1034 . 1 . 1 87 87 LYS CD C 13 30.122 0.007 . . . . . . A 87 LYS CD . 34511 1 1035 . 1 . 1 87 87 LYS CE C 13 42.472 0.000 . . . . . . A 87 LYS CE . 34511 1 1036 . 1 . 1 87 87 LYS N N 15 127.947 0.013 . . . . . . A 87 LYS N . 34511 1 1037 . 1 . 1 88 88 ASP H H 1 8.566 0.003 . . . . . . A 88 ASP H . 34511 1 1038 . 1 . 1 88 88 ASP HA H 1 4.446 0.000 . . . . . . A 88 ASP HA . 34511 1 1039 . 1 . 1 88 88 ASP HB2 H 1 2.685 0.000 . . . . . . A 88 ASP HB2 . 34511 1 1040 . 1 . 1 88 88 ASP HB3 H 1 2.529 0.000 . . . . . . A 88 ASP HB3 . 34511 1 1041 . 1 . 1 88 88 ASP C C 13 177.024 0.005 . . . . . . A 88 ASP C . 34511 1 1042 . 1 . 1 88 88 ASP CA C 13 56.608 0.115 . . . . . . A 88 ASP CA . 34511 1 1043 . 1 . 1 88 88 ASP CB C 13 41.337 0.033 . . . . . . A 88 ASP CB . 34511 1 1044 . 1 . 1 88 88 ASP N N 15 126.086 0.020 . . . . . . A 88 ASP N . 34511 1 1045 . 1 . 1 89 89 GLY H H 1 9.121 0.002 . . . . . . A 89 GLY H . 34511 1 1046 . 1 . 1 89 89 GLY HA2 H 1 4.104 0.000 . . . . . . A 89 GLY HA2 . 34511 1 1047 . 1 . 1 89 89 GLY HA3 H 1 3.342 0.000 . . . . . . A 89 GLY HA3 . 34511 1 1048 . 1 . 1 89 89 GLY C C 13 171.703 0.002 . . . . . . A 89 GLY C . 34511 1 1049 . 1 . 1 89 89 GLY CA C 13 45.795 0.025 . . . . . . A 89 GLY CA . 34511 1 1050 . 1 . 1 89 89 GLY N N 15 113.340 0.007 . . . . . . A 89 GLY N . 34511 1 1051 . 1 . 1 90 90 ILE H H 1 7.786 0.002 . . . . . . A 90 ILE H . 34511 1 1052 . 1 . 1 90 90 ILE HA H 1 5.457 0.000 . . . . . . A 90 ILE HA . 34511 1 1053 . 1 . 1 90 90 ILE HB H 1 2.040 0.000 . . . . . . A 90 ILE HB . 34511 1 1054 . 1 . 1 90 90 ILE HG12 H 1 1.272 0.000 . . . . . . A 90 ILE HG12 . 34511 1 1055 . 1 . 1 90 90 ILE HG13 H 1 0.883 0.000 . . . . . . A 90 ILE HG13 . 34511 1 1056 . 1 . 1 90 90 ILE HG21 H 1 0.040 0.000 . . . . . . A 90 ILE HG21 . 34511 1 1057 . 1 . 1 90 90 ILE HG22 H 1 0.040 0.000 . . . . . . A 90 ILE HG22 . 34511 1 1058 . 1 . 1 90 90 ILE HG23 H 1 0.040 0.000 . . . . . . A 90 ILE HG23 . 34511 1 1059 . 1 . 1 90 90 ILE HD11 H 1 0.645 0.000 . . . . . . A 90 ILE HD11 . 34511 1 1060 . 1 . 1 90 90 ILE HD12 H 1 0.645 0.000 . . . . . . A 90 ILE HD12 . 34511 1 1061 . 1 . 1 90 90 ILE HD13 H 1 0.645 0.000 . . . . . . A 90 ILE HD13 . 34511 1 1062 . 1 . 1 90 90 ILE C C 13 176.678 0.002 . . . . . . A 90 ILE C . 34511 1 1063 . 1 . 1 90 90 ILE CA C 13 57.874 0.012 . . . . . . A 90 ILE CA . 34511 1 1064 . 1 . 1 90 90 ILE CB C 13 37.859 0.048 . . . . . . A 90 ILE CB . 34511 1 1065 . 1 . 1 90 90 ILE CG1 C 13 26.840 0.035 . . . . . . A 90 ILE CG1 . 34511 1 1066 . 1 . 1 90 90 ILE CG2 C 13 16.682 0.020 . . . . . . A 90 ILE CG2 . 34511 1 1067 . 1 . 1 90 90 ILE CD1 C 13 11.652 0.000 . . . . . . A 90 ILE CD1 . 34511 1 1068 . 1 . 1 90 90 ILE N N 15 118.376 0.026 . . . . . . A 90 ILE N . 34511 1 1069 . 1 . 1 91 91 ILE H H 1 8.880 0.003 . . . . . . A 91 ILE H . 34511 1 1070 . 1 . 1 91 91 ILE HA H 1 4.812 0.000 . . . . . . A 91 ILE HA . 34511 1 1071 . 1 . 1 91 91 ILE HB H 1 2.012 0.000 . . . . . . A 91 ILE HB . 34511 1 1072 . 1 . 1 91 91 ILE HG12 H 1 1.189 0.000 . . . . . . A 91 ILE HG12 . 34511 1 1073 . 1 . 1 91 91 ILE HG13 H 1 1.426 0.000 . . . . . . A 91 ILE HG13 . 34511 1 1074 . 1 . 1 91 91 ILE HG21 H 1 1.003 0.000 . . . . . . A 91 ILE HG21 . 34511 1 1075 . 1 . 1 91 91 ILE HG22 H 1 1.003 0.000 . . . . . . A 91 ILE HG22 . 34511 1 1076 . 1 . 1 91 91 ILE HG23 H 1 1.003 0.000 . . . . . . A 91 ILE HG23 . 34511 1 1077 . 1 . 1 91 91 ILE HD11 H 1 0.706 0.000 . . . . . . A 91 ILE HD11 . 34511 1 1078 . 1 . 1 91 91 ILE HD12 H 1 0.706 0.000 . . . . . . A 91 ILE HD12 . 34511 1 1079 . 1 . 1 91 91 ILE HD13 H 1 0.706 0.000 . . . . . . A 91 ILE HD13 . 34511 1 1080 . 1 . 1 91 91 ILE C C 13 174.726 0.007 . . . . . . A 91 ILE C . 34511 1 1081 . 1 . 1 91 91 ILE CA C 13 58.277 0.043 . . . . . . A 91 ILE CA . 34511 1 1082 . 1 . 1 91 91 ILE CB C 13 41.275 0.041 . . . . . . A 91 ILE CB . 34511 1 1083 . 1 . 1 91 91 ILE CG1 C 13 27.199 0.019 . . . . . . A 91 ILE CG1 . 34511 1 1084 . 1 . 1 91 91 ILE CG2 C 13 18.569 0.023 . . . . . . A 91 ILE CG2 . 34511 1 1085 . 1 . 1 91 91 ILE CD1 C 13 13.630 0.040 . . . . . . A 91 ILE CD1 . 34511 1 1086 . 1 . 1 91 91 ILE N N 15 123.977 0.004 . . . . . . A 91 ILE N . 34511 1 1087 . 1 . 1 92 92 TRP H H 1 8.637 0.003 . . . . . . A 92 TRP H . 34511 1 1088 . 1 . 1 92 92 TRP HA H 1 5.256 0.000 . . . . . . A 92 TRP HA . 34511 1 1089 . 1 . 1 92 92 TRP HB2 H 1 2.818 0.000 . . . . . . A 92 TRP HB2 . 34511 1 1090 . 1 . 1 92 92 TRP HB3 H 1 3.165 0.000 . . . . . . A 92 TRP HB3 . 34511 1 1091 . 1 . 1 92 92 TRP HD1 H 1 7.147 0.000 . . . . . . A 92 TRP HD1 . 34511 1 1092 . 1 . 1 92 92 TRP HE1 H 1 10.853 0.000 . . . . . . A 92 TRP HE1 . 34511 1 1093 . 1 . 1 92 92 TRP HE3 H 1 8.127 0.000 . . . . . . A 92 TRP HE3 . 34511 1 1094 . 1 . 1 92 92 TRP HZ2 H 1 7.034 0.000 . . . . . . A 92 TRP HZ2 . 34511 1 1095 . 1 . 1 92 92 TRP HZ3 H 1 7.090 0.000 . . . . . . A 92 TRP HZ3 . 34511 1 1096 . 1 . 1 92 92 TRP HH2 H 1 7.075 0.000 . . . . . . A 92 TRP HH2 . 34511 1 1097 . 1 . 1 92 92 TRP C C 13 176.684 0.003 . . . . . . A 92 TRP C . 34511 1 1098 . 1 . 1 92 92 TRP CA C 13 57.194 0.015 . . . . . . A 92 TRP CA . 34511 1 1099 . 1 . 1 92 92 TRP CB C 13 30.776 0.019 . . . . . . A 92 TRP CB . 34511 1 1100 . 1 . 1 92 92 TRP CD1 C 13 126.586 0.000 . . . . . . A 92 TRP CD1 . 34511 1 1101 . 1 . 1 92 92 TRP CE3 C 13 122.743 0.000 . . . . . . A 92 TRP CE3 . 34511 1 1102 . 1 . 1 92 92 TRP CZ2 C 13 116.218 0.000 . . . . . . A 92 TRP CZ2 . 34511 1 1103 . 1 . 1 92 92 TRP CZ3 C 13 122.046 0.000 . . . . . . A 92 TRP CZ3 . 34511 1 1104 . 1 . 1 92 92 TRP CH2 C 13 125.759 0.000 . . . . . . A 92 TRP CH2 . 34511 1 1105 . 1 . 1 92 92 TRP N N 15 125.225 0.026 . . . . . . A 92 TRP N . 34511 1 1106 . 1 . 1 92 92 TRP NE1 N 15 132.028 0.000 . . . . . . A 92 TRP NE1 . 34511 1 1107 . 1 . 1 93 93 VAL H H 1 9.483 0.003 . . . . . . A 93 VAL H . 34511 1 1108 . 1 . 1 93 93 VAL HA H 1 5.130 0.000 . . . . . . A 93 VAL HA . 34511 1 1109 . 1 . 1 93 93 VAL HB H 1 2.046 0.000 . . . . . . A 93 VAL HB . 34511 1 1110 . 1 . 1 93 93 VAL HG11 H 1 1.036 0.000 . . . . . . A 93 VAL HG11 . 34511 1 1111 . 1 . 1 93 93 VAL HG12 H 1 1.036 0.000 . . . . . . A 93 VAL HG12 . 34511 1 1112 . 1 . 1 93 93 VAL HG13 H 1 1.036 0.000 . . . . . . A 93 VAL HG13 . 34511 1 1113 . 1 . 1 93 93 VAL HG21 H 1 0.851 0.000 . . . . . . A 93 VAL HG21 . 34511 1 1114 . 1 . 1 93 93 VAL HG22 H 1 0.851 0.000 . . . . . . A 93 VAL HG22 . 34511 1 1115 . 1 . 1 93 93 VAL HG23 H 1 0.851 0.000 . . . . . . A 93 VAL HG23 . 34511 1 1116 . 1 . 1 93 93 VAL C C 13 173.956 0.006 . . . . . . A 93 VAL C . 34511 1 1117 . 1 . 1 93 93 VAL CA C 13 59.531 0.047 . . . . . . A 93 VAL CA . 34511 1 1118 . 1 . 1 93 93 VAL CB C 13 36.196 0.027 . . . . . . A 93 VAL CB . 34511 1 1119 . 1 . 1 93 93 VAL CG1 C 13 24.401 0.043 . . . . . . A 93 VAL CG1 . 34511 1 1120 . 1 . 1 93 93 VAL CG2 C 13 20.184 0.029 . . . . . . A 93 VAL CG2 . 34511 1 1121 . 1 . 1 93 93 VAL N N 15 116.039 0.037 . . . . . . A 93 VAL N . 34511 1 1122 . 1 . 1 94 94 ALA H H 1 8.575 0.002 . . . . . . A 94 ALA H . 34511 1 1123 . 1 . 1 94 94 ALA HA H 1 4.796 0.000 . . . . . . A 94 ALA HA . 34511 1 1124 . 1 . 1 94 94 ALA HB1 H 1 1.327 0.000 . . . . . . A 94 ALA HB1 . 34511 1 1125 . 1 . 1 94 94 ALA HB2 H 1 1.327 0.000 . . . . . . A 94 ALA HB2 . 34511 1 1126 . 1 . 1 94 94 ALA HB3 H 1 1.327 0.000 . . . . . . A 94 ALA HB3 . 34511 1 1127 . 1 . 1 94 94 ALA C C 13 176.963 0.005 . . . . . . A 94 ALA C . 34511 1 1128 . 1 . 1 94 94 ALA CA C 13 52.726 0.018 . . . . . . A 94 ALA CA . 34511 1 1129 . 1 . 1 94 94 ALA CB C 13 21.789 0.028 . . . . . . A 94 ALA CB . 34511 1 1130 . 1 . 1 94 94 ALA N N 15 119.933 0.011 . . . . . . A 94 ALA N . 34511 1 1131 . 1 . 1 95 95 THR H H 1 8.236 0.002 . . . . . . A 95 THR H . 34511 1 1132 . 1 . 1 95 95 THR HA H 1 4.323 0.000 . . . . . . A 95 THR HA . 34511 1 1133 . 1 . 1 95 95 THR HB H 1 4.247 0.000 . . . . . . A 95 THR HB . 34511 1 1134 . 1 . 1 95 95 THR HG21 H 1 1.362 0.000 . . . . . . A 95 THR HG21 . 34511 1 1135 . 1 . 1 95 95 THR HG22 H 1 1.362 0.000 . . . . . . A 95 THR HG22 . 34511 1 1136 . 1 . 1 95 95 THR HG23 H 1 1.362 0.000 . . . . . . A 95 THR HG23 . 34511 1 1137 . 1 . 1 95 95 THR C C 13 175.170 0.004 . . . . . . A 95 THR C . 34511 1 1138 . 1 . 1 95 95 THR CA C 13 61.306 0.030 . . . . . . A 95 THR CA . 34511 1 1139 . 1 . 1 95 95 THR CB C 13 69.577 0.036 . . . . . . A 95 THR CB . 34511 1 1140 . 1 . 1 95 95 THR CG2 C 13 22.960 0.045 . . . . . . A 95 THR CG2 . 34511 1 1141 . 1 . 1 95 95 THR N N 15 116.890 0.020 . . . . . . A 95 THR N . 34511 1 1142 . 1 . 1 96 96 GLU H H 1 9.000 0.002 . . . . . . A 96 GLU H . 34511 1 1143 . 1 . 1 96 96 GLU HA H 1 4.047 0.000 . . . . . . A 96 GLU HA . 34511 1 1144 . 1 . 1 96 96 GLU HB2 H 1 2.035 0.000 . . . . . . A 96 GLU HB2 . 34511 1 1145 . 1 . 1 96 96 GLU HB3 H 1 1.968 0.000 . . . . . . A 96 GLU HB3 . 34511 1 1146 . 1 . 1 96 96 GLU HG2 H 1 2.302 0.000 . . . . . . A 96 GLU HG2 . 34511 1 1147 . 1 . 1 96 96 GLU HG3 H 1 2.302 0.000 . . . . . . A 96 GLU HG3 . 34511 1 1148 . 1 . 1 96 96 GLU C C 13 177.450 0.008 . . . . . . A 96 GLU C . 34511 1 1149 . 1 . 1 96 96 GLU CA C 13 58.774 0.033 . . . . . . A 96 GLU CA . 34511 1 1150 . 1 . 1 96 96 GLU CB C 13 29.107 0.028 . . . . . . A 96 GLU CB . 34511 1 1151 . 1 . 1 96 96 GLU CG C 13 35.938 0.022 . . . . . . A 96 GLU CG . 34511 1 1152 . 1 . 1 96 96 GLU N N 15 125.933 0.015 . . . . . . A 96 GLU N . 34511 1 1153 . 1 . 1 97 97 GLY H H 1 8.588 0.003 . . . . . . A 97 GLY H . 34511 1 1154 . 1 . 1 97 97 GLY HA2 H 1 4.094 0.000 . . . . . . A 97 GLY HA2 . 34511 1 1155 . 1 . 1 97 97 GLY HA3 H 1 3.707 0.000 . . . . . . A 97 GLY HA3 . 34511 1 1156 . 1 . 1 97 97 GLY C C 13 174.322 0.003 . . . . . . A 97 GLY C . 34511 1 1157 . 1 . 1 97 97 GLY CA C 13 44.708 0.030 . . . . . . A 97 GLY CA . 34511 1 1158 . 1 . 1 97 97 GLY N N 15 112.580 0.012 . . . . . . A 97 GLY N . 34511 1 1159 . 1 . 1 98 98 ALA H H 1 7.457 0.002 . . . . . . A 98 ALA H . 34511 1 1160 . 1 . 1 98 98 ALA HA H 1 4.276 0.000 . . . . . . A 98 ALA HA . 34511 1 1161 . 1 . 1 98 98 ALA HB1 H 1 1.264 0.000 . . . . . . A 98 ALA HB1 . 34511 1 1162 . 1 . 1 98 98 ALA HB2 H 1 1.264 0.000 . . . . . . A 98 ALA HB2 . 34511 1 1163 . 1 . 1 98 98 ALA HB3 H 1 1.264 0.000 . . . . . . A 98 ALA HB3 . 34511 1 1164 . 1 . 1 98 98 ALA C C 13 177.271 0.004 . . . . . . A 98 ALA C . 34511 1 1165 . 1 . 1 98 98 ALA CA C 13 52.972 0.028 . . . . . . A 98 ALA CA . 34511 1 1166 . 1 . 1 98 98 ALA CB C 13 20.363 0.008 . . . . . . A 98 ALA CB . 34511 1 1167 . 1 . 1 98 98 ALA N N 15 122.779 0.006 . . . . . . A 98 ALA N . 34511 1 1168 . 1 . 1 99 99 LEU H H 1 8.595 0.003 . . . . . . A 99 LEU H . 34511 1 1169 . 1 . 1 99 99 LEU HA H 1 4.514 0.000 . . . . . . A 99 LEU HA . 34511 1 1170 . 1 . 1 99 99 LEU HB2 H 1 1.465 0.000 . . . . . . A 99 LEU HB2 . 34511 1 1171 . 1 . 1 99 99 LEU HB3 H 1 1.513 0.000 . . . . . . A 99 LEU HB3 . 34511 1 1172 . 1 . 1 99 99 LEU HG H 1 1.639 0.000 . . . . . . A 99 LEU HG . 34511 1 1173 . 1 . 1 99 99 LEU HD11 H 1 0.853 0.000 . . . . . . A 99 LEU HD11 . 34511 1 1174 . 1 . 1 99 99 LEU HD12 H 1 0.853 0.000 . . . . . . A 99 LEU HD12 . 34511 1 1175 . 1 . 1 99 99 LEU HD13 H 1 0.853 0.000 . . . . . . A 99 LEU HD13 . 34511 1 1176 . 1 . 1 99 99 LEU HD21 H 1 0.796 0.000 . . . . . . A 99 LEU HD21 . 34511 1 1177 . 1 . 1 99 99 LEU HD22 H 1 0.796 0.000 . . . . . . A 99 LEU HD22 . 34511 1 1178 . 1 . 1 99 99 LEU HD23 H 1 0.796 0.000 . . . . . . A 99 LEU HD23 . 34511 1 1179 . 1 . 1 99 99 LEU C C 13 177.772 0.005 . . . . . . A 99 LEU C . 34511 1 1180 . 1 . 1 99 99 LEU CA C 13 53.844 0.032 . . . . . . A 99 LEU CA . 34511 1 1181 . 1 . 1 99 99 LEU CB C 13 43.876 0.022 . . . . . . A 99 LEU CB . 34511 1 1182 . 1 . 1 99 99 LEU CG C 13 27.148 0.031 . . . . . . A 99 LEU CG . 34511 1 1183 . 1 . 1 99 99 LEU CD1 C 13 24.562 0.006 . . . . . . A 99 LEU CD1 . 34511 1 1184 . 1 . 1 99 99 LEU CD2 C 13 23.319 0.036 . . . . . . A 99 LEU CD2 . 34511 1 1185 . 1 . 1 99 99 LEU N N 15 120.605 0.019 . . . . . . A 99 LEU N . 34511 1 1186 . 1 . 1 100 100 ASN H H 1 9.004 0.002 . . . . . . A 100 ASN H . 34511 1 1187 . 1 . 1 100 100 ASN HA H 1 4.550 0.000 . . . . . . A 100 ASN HA . 34511 1 1188 . 1 . 1 100 100 ASN HB2 H 1 2.928 0.000 . . . . . . A 100 ASN HB2 . 34511 1 1189 . 1 . 1 100 100 ASN HB3 H 1 2.439 0.000 . . . . . . A 100 ASN HB3 . 34511 1 1190 . 1 . 1 100 100 ASN HD21 H 1 7.297 0.000 . . . . . . A 100 ASN HD21 . 34511 1 1191 . 1 . 1 100 100 ASN HD22 H 1 6.506 0.000 . . . . . . A 100 ASN HD22 . 34511 1 1192 . 1 . 1 100 100 ASN C C 13 173.912 0.002 . . . . . . A 100 ASN C . 34511 1 1193 . 1 . 1 100 100 ASN CA C 13 52.069 0.078 . . . . . . A 100 ASN CA . 34511 1 1194 . 1 . 1 100 100 ASN CB C 13 35.904 0.027 . . . . . . A 100 ASN CB . 34511 1 1195 . 1 . 1 100 100 ASN N N 15 124.730 0.015 . . . . . . A 100 ASN N . 34511 1 1196 . 1 . 1 100 100 ASN ND2 N 15 106.726 0.001 . . . . . . A 100 ASN ND2 . 34511 1 1197 . 1 . 1 101 101 THR H H 1 7.694 0.002 . . . . . . A 101 THR H . 34511 1 1198 . 1 . 1 101 101 THR HA H 1 4.759 0.000 . . . . . . A 101 THR HA . 34511 1 1199 . 1 . 1 101 101 THR HB H 1 4.356 0.000 . . . . . . A 101 THR HB . 34511 1 1200 . 1 . 1 101 101 THR HG1 H 1 5.777 0.000 . . . . . . A 101 THR HG1 . 34511 1 1201 . 1 . 1 101 101 THR HG21 H 1 1.114 0.001 . . . . . . A 101 THR HG21 . 34511 1 1202 . 1 . 1 101 101 THR HG22 H 1 1.114 0.001 . . . . . . A 101 THR HG22 . 34511 1 1203 . 1 . 1 101 101 THR HG23 H 1 1.114 0.001 . . . . . . A 101 THR HG23 . 34511 1 1204 . 1 . 1 101 101 THR C C 13 171.422 0.000 . . . . . . A 101 THR C . 34511 1 1205 . 1 . 1 101 101 THR CA C 13 57.711 0.034 . . . . . . A 101 THR CA . 34511 1 1206 . 1 . 1 101 101 THR CB C 13 70.184 0.025 . . . . . . A 101 THR CB . 34511 1 1207 . 1 . 1 101 101 THR CG2 C 13 23.279 0.022 . . . . . . A 101 THR CG2 . 34511 1 1208 . 1 . 1 101 101 THR N N 15 114.643 0.008 . . . . . . A 101 THR N . 34511 1 1209 . 1 . 1 102 102 PRO HA H 1 4.328 0.000 . . . . . . A 102 PRO HA . 34511 1 1210 . 1 . 1 102 102 PRO HB2 H 1 2.252 0.000 . . . . . . A 102 PRO HB2 . 34511 1 1211 . 1 . 1 102 102 PRO HB3 H 1 2.444 0.000 . . . . . . A 102 PRO HB3 . 34511 1 1212 . 1 . 1 102 102 PRO HG2 H 1 2.138 0.000 . . . . . . A 102 PRO HG2 . 34511 1 1213 . 1 . 1 102 102 PRO HG3 H 1 2.308 0.005 . . . . . . A 102 PRO HG3 . 34511 1 1214 . 1 . 1 102 102 PRO HD2 H 1 3.774 0.000 . . . . . . A 102 PRO HD2 . 34511 1 1215 . 1 . 1 102 102 PRO HD3 H 1 3.774 0.000 . . . . . . A 102 PRO HD3 . 34511 1 1216 . 1 . 1 102 102 PRO C C 13 178.754 0.005 . . . . . . A 102 PRO C . 34511 1 1217 . 1 . 1 102 102 PRO CA C 13 62.611 0.023 . . . . . . A 102 PRO CA . 34511 1 1218 . 1 . 1 102 102 PRO CB C 13 32.478 0.033 . . . . . . A 102 PRO CB . 34511 1 1219 . 1 . 1 102 102 PRO CG C 13 27.863 0.067 . . . . . . A 102 PRO CG . 34511 1 1220 . 1 . 1 102 102 PRO CD C 13 50.145 0.000 . . . . . . A 102 PRO CD . 34511 1 1221 . 1 . 1 103 103 LYS H H 1 8.867 0.003 . . . . . . A 103 LYS H . 34511 1 1222 . 1 . 1 103 103 LYS HA H 1 4.904 0.000 . . . . . . A 103 LYS HA . 34511 1 1223 . 1 . 1 103 103 LYS HB2 H 1 1.627 0.000 . . . . . . A 103 LYS HB2 . 34511 1 1224 . 1 . 1 103 103 LYS HB3 H 1 1.627 0.000 . . . . . . A 103 LYS HB3 . 34511 1 1225 . 1 . 1 103 103 LYS HG2 H 1 2.022 0.000 . . . . . . A 103 LYS HG2 . 34511 1 1226 . 1 . 1 103 103 LYS HG3 H 1 2.151 0.000 . . . . . . A 103 LYS HG3 . 34511 1 1227 . 1 . 1 103 103 LYS HE2 H 1 3.448 0.000 . . . . . . A 103 LYS HE2 . 34511 1 1228 . 1 . 1 103 103 LYS HE3 H 1 3.558 0.000 . . . . . . A 103 LYS HE3 . 34511 1 1229 . 1 . 1 103 103 LYS C C 13 177.637 0.007 . . . . . . A 103 LYS C . 34511 1 1230 . 1 . 1 103 103 LYS CA C 13 51.445 0.015 . . . . . . A 103 LYS CA . 34511 1 1231 . 1 . 1 103 103 LYS CB C 13 27.091 0.032 . . . . . . A 103 LYS CB . 34511 1 1232 . 1 . 1 103 103 LYS CG C 13 24.189 0.044 . . . . . . A 103 LYS CG . 34511 1 1233 . 1 . 1 103 103 LYS CD C 13 27.381 0.000 . . . . . . A 103 LYS CD . 34511 1 1234 . 1 . 1 103 103 LYS CE C 13 44.880 0.013 . . . . . . A 103 LYS CE . 34511 1 1235 . 1 . 1 103 103 LYS N N 15 119.962 0.018 . . . . . . A 103 LYS N . 34511 1 1236 . 1 . 1 104 104 ASP H H 1 8.131 0.002 . . . . . . A 104 ASP H . 34511 1 1237 . 1 . 1 104 104 ASP HA H 1 4.214 0.000 . . . . . . A 104 ASP HA . 34511 1 1238 . 1 . 1 104 104 ASP HB2 H 1 2.727 0.000 . . . . . . A 104 ASP HB2 . 34511 1 1239 . 1 . 1 104 104 ASP HB3 H 1 2.687 0.000 . . . . . . A 104 ASP HB3 . 34511 1 1240 . 1 . 1 104 104 ASP C C 13 176.649 0.007 . . . . . . A 104 ASP C . 34511 1 1241 . 1 . 1 104 104 ASP CA C 13 57.153 0.115 . . . . . . A 104 ASP CA . 34511 1 1242 . 1 . 1 104 104 ASP CB C 13 40.527 0.018 . . . . . . A 104 ASP CB . 34511 1 1243 . 1 . 1 104 104 ASP N N 15 121.420 0.006 . . . . . . A 104 ASP N . 34511 1 1244 . 1 . 1 105 105 HIS H H 1 8.726 0.003 . . . . . . A 105 HIS H . 34511 1 1245 . 1 . 1 105 105 HIS HA H 1 4.459 0.000 . . . . . . A 105 HIS HA . 34511 1 1246 . 1 . 1 105 105 HIS HB2 H 1 3.182 0.000 . . . . . . A 105 HIS HB2 . 34511 1 1247 . 1 . 1 105 105 HIS HB3 H 1 3.046 0.000 . . . . . . A 105 HIS HB3 . 34511 1 1248 . 1 . 1 105 105 HIS HD2 H 1 7.063 0.000 . . . . . . A 105 HIS HD2 . 34511 1 1249 . 1 . 1 105 105 HIS HE1 H 1 7.870 0.000 . . . . . . A 105 HIS HE1 . 34511 1 1250 . 1 . 1 105 105 HIS C C 13 175.646 0.004 . . . . . . A 105 HIS C . 34511 1 1251 . 1 . 1 105 105 HIS CA C 13 57.587 0.030 . . . . . . A 105 HIS CA . 34511 1 1252 . 1 . 1 105 105 HIS CB C 13 28.806 0.028 . . . . . . A 105 HIS CB . 34511 1 1253 . 1 . 1 105 105 HIS CD2 C 13 119.003 0.000 . . . . . . A 105 HIS CD2 . 34511 1 1254 . 1 . 1 105 105 HIS N N 15 114.203 0.018 . . . . . . A 105 HIS N . 34511 1 1255 . 1 . 1 106 106 ILE H H 1 6.744 0.001 . . . . . . A 106 ILE H . 34511 1 1256 . 1 . 1 106 106 ILE HA H 1 3.793 0.000 . . . . . . A 106 ILE HA . 34511 1 1257 . 1 . 1 106 106 ILE HB H 1 1.205 0.000 . . . . . . A 106 ILE HB . 34511 1 1258 . 1 . 1 106 106 ILE HG12 H 1 0.422 0.000 . . . . . . A 106 ILE HG12 . 34511 1 1259 . 1 . 1 106 106 ILE HG13 H 1 0.336 0.000 . . . . . . A 106 ILE HG13 . 34511 1 1260 . 1 . 1 106 106 ILE HG21 H 1 0.434 0.000 . . . . . . A 106 ILE HG21 . 34511 1 1261 . 1 . 1 106 106 ILE HG22 H 1 0.434 0.000 . . . . . . A 106 ILE HG22 . 34511 1 1262 . 1 . 1 106 106 ILE HG23 H 1 0.434 0.000 . . . . . . A 106 ILE HG23 . 34511 1 1263 . 1 . 1 106 106 ILE HD11 H 1 -0.004 0.001 . . . . . . A 106 ILE HD11 . 34511 1 1264 . 1 . 1 106 106 ILE HD12 H 1 -0.004 0.001 . . . . . . A 106 ILE HD12 . 34511 1 1265 . 1 . 1 106 106 ILE HD13 H 1 -0.004 0.001 . . . . . . A 106 ILE HD13 . 34511 1 1266 . 1 . 1 106 106 ILE C C 13 178.327 0.000 . . . . . . A 106 ILE C . 34511 1 1267 . 1 . 1 106 106 ILE CA C 13 63.007 0.023 . . . . . . A 106 ILE CA . 34511 1 1268 . 1 . 1 106 106 ILE CB C 13 39.036 0.037 . . . . . . A 106 ILE CB . 34511 1 1269 . 1 . 1 106 106 ILE CG1 C 13 27.294 0.009 . . . . . . A 106 ILE CG1 . 34511 1 1270 . 1 . 1 106 106 ILE CG2 C 13 17.234 0.000 . . . . . . A 106 ILE CG2 . 34511 1 1271 . 1 . 1 106 106 ILE CD1 C 13 11.224 0.012 . . . . . . A 106 ILE CD1 . 34511 1 1272 . 1 . 1 106 106 ILE N N 15 121.798 0.018 . . . . . . A 106 ILE N . 34511 1 1273 . 1 . 1 107 107 GLY H H 1 7.771 0.002 . . . . . . A 107 GLY H . 34511 1 1274 . 1 . 1 107 107 GLY HA2 H 1 4.344 0.000 . . . . . . A 107 GLY HA2 . 34511 1 1275 . 1 . 1 107 107 GLY HA3 H 1 4.105 0.000 . . . . . . A 107 GLY HA3 . 34511 1 1276 . 1 . 1 107 107 GLY C C 13 174.170 0.009 . . . . . . A 107 GLY C . 34511 1 1277 . 1 . 1 107 107 GLY CA C 13 46.019 0.013 . . . . . . A 107 GLY CA . 34511 1 1278 . 1 . 1 107 107 GLY N N 15 104.626 0.015 . . . . . . A 107 GLY N . 34511 1 1279 . 1 . 1 108 108 THR H H 1 8.338 0.003 . . . . . . A 108 THR H . 34511 1 1280 . 1 . 1 108 108 THR HA H 1 4.596 0.000 . . . . . . A 108 THR HA . 34511 1 1281 . 1 . 1 108 108 THR HB H 1 4.673 0.000 . . . . . . A 108 THR HB . 34511 1 1282 . 1 . 1 108 108 THR HG21 H 1 1.345 0.000 . . . . . . A 108 THR HG21 . 34511 1 1283 . 1 . 1 108 108 THR HG22 H 1 1.345 0.000 . . . . . . A 108 THR HG22 . 34511 1 1284 . 1 . 1 108 108 THR HG23 H 1 1.345 0.000 . . . . . . A 108 THR HG23 . 34511 1 1285 . 1 . 1 108 108 THR C C 13 172.359 0.006 . . . . . . A 108 THR C . 34511 1 1286 . 1 . 1 108 108 THR CA C 13 60.128 0.034 . . . . . . A 108 THR CA . 34511 1 1287 . 1 . 1 108 108 THR CB C 13 69.743 0.024 . . . . . . A 108 THR CB . 34511 1 1288 . 1 . 1 108 108 THR CG2 C 13 23.016 0.039 . . . . . . A 108 THR CG2 . 34511 1 1289 . 1 . 1 108 108 THR N N 15 111.351 0.024 . . . . . . A 108 THR N . 34511 1 1290 . 1 . 1 109 109 ARG H H 1 7.652 0.002 . . . . . . A 109 ARG H . 34511 1 1291 . 1 . 1 109 109 ARG HA H 1 3.008 0.001 . . . . . . A 109 ARG HA . 34511 1 1292 . 1 . 1 109 109 ARG HB2 H 1 0.677 0.000 . . . . . . A 109 ARG HB2 . 34511 1 1293 . 1 . 1 109 109 ARG HB3 H 1 -0.546 0.000 . . . . . . A 109 ARG HB3 . 34511 1 1294 . 1 . 1 109 109 ARG HG2 H 1 0.317 0.000 . . . . . . A 109 ARG HG2 . 34511 1 1295 . 1 . 1 109 109 ARG HG3 H 1 0.449 0.000 . . . . . . A 109 ARG HG3 . 34511 1 1296 . 1 . 1 109 109 ARG HD2 H 1 2.872 0.000 . . . . . . A 109 ARG HD2 . 34511 1 1297 . 1 . 1 109 109 ARG HD3 H 1 2.576 0.000 . . . . . . A 109 ARG HD3 . 34511 1 1298 . 1 . 1 109 109 ARG HE H 1 7.932 0.004 . . . . . . A 109 ARG HE . 34511 1 1299 . 1 . 1 109 109 ARG C C 13 174.392 0.004 . . . . . . A 109 ARG C . 34511 1 1300 . 1 . 1 109 109 ARG CA C 13 54.985 0.020 . . . . . . A 109 ARG CA . 34511 1 1301 . 1 . 1 109 109 ARG CB C 13 32.573 0.030 . . . . . . A 109 ARG CB . 34511 1 1302 . 1 . 1 109 109 ARG CG C 13 27.966 0.022 . . . . . . A 109 ARG CG . 34511 1 1303 . 1 . 1 109 109 ARG CD C 13 42.688 0.012 . . . . . . A 109 ARG CD . 34511 1 1304 . 1 . 1 109 109 ARG N N 15 120.382 0.018 . . . . . . A 109 ARG N . 34511 1 1305 . 1 . 1 109 109 ARG NE N 15 81.549 0.000 . . . . . . A 109 ARG NE . 34511 1 1306 . 1 . 1 110 110 ASN H H 1 8.806 0.003 . . . . . . A 110 ASN H . 34511 1 1307 . 1 . 1 110 110 ASN HA H 1 5.117 0.000 . . . . . . A 110 ASN HA . 34511 1 1308 . 1 . 1 110 110 ASN HB2 H 1 3.212 0.000 . . . . . . A 110 ASN HB2 . 34511 1 1309 . 1 . 1 110 110 ASN HB3 H 1 2.721 0.000 . . . . . . A 110 ASN HB3 . 34511 1 1310 . 1 . 1 110 110 ASN HD21 H 1 7.639 0.000 . . . . . . A 110 ASN HD21 . 34511 1 1311 . 1 . 1 110 110 ASN HD22 H 1 7.055 0.000 . . . . . . A 110 ASN HD22 . 34511 1 1312 . 1 . 1 110 110 ASN C C 13 175.317 0.000 . . . . . . A 110 ASN C . 34511 1 1313 . 1 . 1 110 110 ASN CA C 13 49.085 0.021 . . . . . . A 110 ASN CA . 34511 1 1314 . 1 . 1 110 110 ASN CB C 13 38.598 0.015 . . . . . . A 110 ASN CB . 34511 1 1315 . 1 . 1 110 110 ASN N N 15 124.676 0.025 . . . . . . A 110 ASN N . 34511 1 1316 . 1 . 1 110 110 ASN ND2 N 15 111.595 0.003 . . . . . . A 110 ASN ND2 . 34511 1 1317 . 1 . 1 111 111 PRO HA H 1 4.369 0.001 . . . . . . A 111 PRO HA . 34511 1 1318 . 1 . 1 111 111 PRO HB2 H 1 1.943 0.000 . . . . . . A 111 PRO HB2 . 34511 1 1319 . 1 . 1 111 111 PRO HB3 H 1 2.161 0.000 . . . . . . A 111 PRO HB3 . 34511 1 1320 . 1 . 1 111 111 PRO HG2 H 1 1.628 0.000 . . . . . . A 111 PRO HG2 . 34511 1 1321 . 1 . 1 111 111 PRO HG3 H 1 1.980 0.000 . . . . . . A 111 PRO HG3 . 34511 1 1322 . 1 . 1 111 111 PRO HD2 H 1 4.010 0.000 . . . . . . A 111 PRO HD2 . 34511 1 1323 . 1 . 1 111 111 PRO HD3 H 1 3.774 0.000 . . . . . . A 111 PRO HD3 . 34511 1 1324 . 1 . 1 111 111 PRO CA C 13 63.674 0.004 . . . . . . A 111 PRO CA . 34511 1 1325 . 1 . 1 111 111 PRO CB C 13 32.313 0.028 . . . . . . A 111 PRO CB . 34511 1 1326 . 1 . 1 111 111 PRO CG C 13 27.133 0.045 . . . . . . A 111 PRO CG . 34511 1 1327 . 1 . 1 111 111 PRO CD C 13 51.394 0.019 . . . . . . A 111 PRO CD . 34511 1 1328 . 1 . 1 112 112 ALA H H 1 7.781 0.002 . . . . . . A 112 ALA H . 34511 1 1329 . 1 . 1 112 112 ALA HA H 1 4.116 0.000 . . . . . . A 112 ALA HA . 34511 1 1330 . 1 . 1 112 112 ALA HB1 H 1 1.276 0.000 . . . . . . A 112 ALA HB1 . 34511 1 1331 . 1 . 1 112 112 ALA HB2 H 1 1.276 0.000 . . . . . . A 112 ALA HB2 . 34511 1 1332 . 1 . 1 112 112 ALA HB3 H 1 1.276 0.000 . . . . . . A 112 ALA HB3 . 34511 1 1333 . 1 . 1 112 112 ALA C C 13 178.069 0.004 . . . . . . A 112 ALA C . 34511 1 1334 . 1 . 1 112 112 ALA CA C 13 53.667 0.015 . . . . . . A 112 ALA CA . 34511 1 1335 . 1 . 1 112 112 ALA CB C 13 18.431 0.016 . . . . . . A 112 ALA CB . 34511 1 1336 . 1 . 1 112 112 ALA N N 15 118.154 0.010 . . . . . . A 112 ALA N . 34511 1 1337 . 1 . 1 113 113 ASN H H 1 7.648 0.002 . . . . . . A 113 ASN H . 34511 1 1338 . 1 . 1 113 113 ASN HA H 1 4.852 0.000 . . . . . . A 113 ASN HA . 34511 1 1339 . 1 . 1 113 113 ASN HB2 H 1 2.697 0.000 . . . . . . A 113 ASN HB2 . 34511 1 1340 . 1 . 1 113 113 ASN HB3 H 1 2.858 0.000 . . . . . . A 113 ASN HB3 . 34511 1 1341 . 1 . 1 113 113 ASN HD21 H 1 7.541 0.000 . . . . . . A 113 ASN HD21 . 34511 1 1342 . 1 . 1 113 113 ASN HD22 H 1 6.829 0.000 . . . . . . A 113 ASN HD22 . 34511 1 1343 . 1 . 1 113 113 ASN C C 13 174.987 0.002 . . . . . . A 113 ASN C . 34511 1 1344 . 1 . 1 113 113 ASN CA C 13 53.142 0.057 . . . . . . A 113 ASN CA . 34511 1 1345 . 1 . 1 113 113 ASN CB C 13 40.954 0.028 . . . . . . A 113 ASN CB . 34511 1 1346 . 1 . 1 113 113 ASN N N 15 112.948 0.007 . . . . . . A 113 ASN N . 34511 1 1347 . 1 . 1 113 113 ASN ND2 N 15 110.987 0.002 . . . . . . A 113 ASN ND2 . 34511 1 1348 . 1 . 1 114 114 ASN H H 1 7.769 0.002 . . . . . . A 114 ASN H . 34511 1 1349 . 1 . 1 114 114 ASN HA H 1 5.093 0.000 . . . . . . A 114 ASN HA . 34511 1 1350 . 1 . 1 114 114 ASN HB2 H 1 2.826 0.000 . . . . . . A 114 ASN HB2 . 34511 1 1351 . 1 . 1 114 114 ASN HB3 H 1 2.128 0.000 . . . . . . A 114 ASN HB3 . 34511 1 1352 . 1 . 1 114 114 ASN HD21 H 1 7.996 0.000 . . . . . . A 114 ASN HD21 . 34511 1 1353 . 1 . 1 114 114 ASN HD22 H 1 7.169 0.000 . . . . . . A 114 ASN HD22 . 34511 1 1354 . 1 . 1 114 114 ASN C C 13 173.261 0.002 . . . . . . A 114 ASN C . 34511 1 1355 . 1 . 1 114 114 ASN CA C 13 53.445 0.127 . . . . . . A 114 ASN CA . 34511 1 1356 . 1 . 1 114 114 ASN CB C 13 43.873 0.016 . . . . . . A 114 ASN CB . 34511 1 1357 . 1 . 1 114 114 ASN N N 15 116.444 0.012 . . . . . . A 114 ASN N . 34511 1 1358 . 1 . 1 114 114 ASN ND2 N 15 112.832 0.001 . . . . . . A 114 ASN ND2 . 34511 1 1359 . 1 . 1 115 115 ALA H H 1 8.609 0.003 . . . . . . A 115 ALA H . 34511 1 1360 . 1 . 1 115 115 ALA HA H 1 4.301 0.000 . . . . . . A 115 ALA HA . 34511 1 1361 . 1 . 1 115 115 ALA HB1 H 1 1.413 0.000 . . . . . . A 115 ALA HB1 . 34511 1 1362 . 1 . 1 115 115 ALA HB2 H 1 1.413 0.000 . . . . . . A 115 ALA HB2 . 34511 1 1363 . 1 . 1 115 115 ALA HB3 H 1 1.413 0.000 . . . . . . A 115 ALA HB3 . 34511 1 1364 . 1 . 1 115 115 ALA C C 13 177.063 0.002 . . . . . . A 115 ALA C . 34511 1 1365 . 1 . 1 115 115 ALA CA C 13 51.421 0.031 . . . . . . A 115 ALA CA . 34511 1 1366 . 1 . 1 115 115 ALA CB C 13 19.532 0.033 . . . . . . A 115 ALA CB . 34511 1 1367 . 1 . 1 115 115 ALA N N 15 126.594 0.023 . . . . . . A 115 ALA N . 34511 1 1368 . 1 . 1 116 116 ALA H H 1 8.385 0.001 . . . . . . A 116 ALA H . 34511 1 1369 . 1 . 1 116 116 ALA HA H 1 3.875 0.000 . . . . . . A 116 ALA HA . 34511 1 1370 . 1 . 1 116 116 ALA HB1 H 1 1.099 0.000 . . . . . . A 116 ALA HB1 . 34511 1 1371 . 1 . 1 116 116 ALA HB2 H 1 1.099 0.000 . . . . . . A 116 ALA HB2 . 34511 1 1372 . 1 . 1 116 116 ALA HB3 H 1 1.099 0.000 . . . . . . A 116 ALA HB3 . 34511 1 1373 . 1 . 1 116 116 ALA C C 13 177.673 0.006 . . . . . . A 116 ALA C . 34511 1 1374 . 1 . 1 116 116 ALA CA C 13 52.505 0.013 . . . . . . A 116 ALA CA . 34511 1 1375 . 1 . 1 116 116 ALA CB C 13 18.874 0.012 . . . . . . A 116 ALA CB . 34511 1 1376 . 1 . 1 116 116 ALA N N 15 122.416 0.013 . . . . . . A 116 ALA N . 34511 1 1377 . 1 . 1 117 117 ILE H H 1 9.461 0.002 . . . . . . A 117 ILE H . 34511 1 1378 . 1 . 1 117 117 ILE HA H 1 3.948 0.000 . . . . . . A 117 ILE HA . 34511 1 1379 . 1 . 1 117 117 ILE HB H 1 1.754 0.000 . . . . . . A 117 ILE HB . 34511 1 1380 . 1 . 1 117 117 ILE HG12 H 1 1.018 0.000 . . . . . . A 117 ILE HG12 . 34511 1 1381 . 1 . 1 117 117 ILE HG13 H 1 1.887 0.000 . . . . . . A 117 ILE HG13 . 34511 1 1382 . 1 . 1 117 117 ILE HG21 H 1 1.132 0.000 . . . . . . A 117 ILE HG21 . 34511 1 1383 . 1 . 1 117 117 ILE HG22 H 1 1.132 0.000 . . . . . . A 117 ILE HG22 . 34511 1 1384 . 1 . 1 117 117 ILE HG23 H 1 1.132 0.000 . . . . . . A 117 ILE HG23 . 34511 1 1385 . 1 . 1 117 117 ILE HD11 H 1 0.604 0.000 . . . . . . A 117 ILE HD11 . 34511 1 1386 . 1 . 1 117 117 ILE HD12 H 1 0.604 0.000 . . . . . . A 117 ILE HD12 . 34511 1 1387 . 1 . 1 117 117 ILE HD13 H 1 0.604 0.000 . . . . . . A 117 ILE HD13 . 34511 1 1388 . 1 . 1 117 117 ILE C C 13 176.823 0.004 . . . . . . A 117 ILE C . 34511 1 1389 . 1 . 1 117 117 ILE CA C 13 61.246 0.018 . . . . . . A 117 ILE CA . 34511 1 1390 . 1 . 1 117 117 ILE CB C 13 39.139 0.030 . . . . . . A 117 ILE CB . 34511 1 1391 . 1 . 1 117 117 ILE CG1 C 13 27.760 0.038 . . . . . . A 117 ILE CG1 . 34511 1 1392 . 1 . 1 117 117 ILE CG2 C 13 17.386 0.030 . . . . . . A 117 ILE CG2 . 34511 1 1393 . 1 . 1 117 117 ILE CD1 C 13 13.908 0.000 . . . . . . A 117 ILE CD1 . 34511 1 1394 . 1 . 1 117 117 ILE N N 15 126.191 0.008 . . . . . . A 117 ILE N . 34511 1 1395 . 1 . 1 118 118 VAL H H 1 8.633 0.003 . . . . . . A 118 VAL H . 34511 1 1396 . 1 . 1 118 118 VAL HA H 1 4.003 0.000 . . . . . . A 118 VAL HA . 34511 1 1397 . 1 . 1 118 118 VAL HB H 1 1.931 0.000 . . . . . . A 118 VAL HB . 34511 1 1398 . 1 . 1 118 118 VAL HG11 H 1 1.083 0.000 . . . . . . A 118 VAL HG11 . 34511 1 1399 . 1 . 1 118 118 VAL HG12 H 1 1.083 0.000 . . . . . . A 118 VAL HG12 . 34511 1 1400 . 1 . 1 118 118 VAL HG13 H 1 1.083 0.000 . . . . . . A 118 VAL HG13 . 34511 1 1401 . 1 . 1 118 118 VAL HG21 H 1 0.869 0.000 . . . . . . A 118 VAL HG21 . 34511 1 1402 . 1 . 1 118 118 VAL HG22 H 1 0.869 0.000 . . . . . . A 118 VAL HG22 . 34511 1 1403 . 1 . 1 118 118 VAL HG23 H 1 0.869 0.000 . . . . . . A 118 VAL HG23 . 34511 1 1404 . 1 . 1 118 118 VAL C C 13 177.509 0.007 . . . . . . A 118 VAL C . 34511 1 1405 . 1 . 1 118 118 VAL CA C 13 64.233 0.015 . . . . . . A 118 VAL CA . 34511 1 1406 . 1 . 1 118 118 VAL CB C 13 31.298 0.036 . . . . . . A 118 VAL CB . 34511 1 1407 . 1 . 1 118 118 VAL CG1 C 13 22.441 0.000 . . . . . . A 118 VAL CG1 . 34511 1 1408 . 1 . 1 118 118 VAL CG2 C 13 20.887 0.000 . . . . . . A 118 VAL CG2 . 34511 1 1409 . 1 . 1 118 118 VAL N N 15 128.717 0.025 . . . . . . A 118 VAL N . 34511 1 1410 . 1 . 1 119 119 LEU H H 1 8.178 0.004 . . . . . . A 119 LEU H . 34511 1 1411 . 1 . 1 119 119 LEU HA H 1 3.986 0.000 . . . . . . A 119 LEU HA . 34511 1 1412 . 1 . 1 119 119 LEU HB2 H 1 2.041 0.000 . . . . . . A 119 LEU HB2 . 34511 1 1413 . 1 . 1 119 119 LEU HB3 H 1 1.506 0.000 . . . . . . A 119 LEU HB3 . 34511 1 1414 . 1 . 1 119 119 LEU HG H 1 1.223 0.000 . . . . . . A 119 LEU HG . 34511 1 1415 . 1 . 1 119 119 LEU HD11 H 1 1.035 0.000 . . . . . . A 119 LEU HD11 . 34511 1 1416 . 1 . 1 119 119 LEU HD12 H 1 1.035 0.000 . . . . . . A 119 LEU HD12 . 34511 1 1417 . 1 . 1 119 119 LEU HD13 H 1 1.035 0.000 . . . . . . A 119 LEU HD13 . 34511 1 1418 . 1 . 1 119 119 LEU HD21 H 1 0.645 0.000 . . . . . . A 119 LEU HD21 . 34511 1 1419 . 1 . 1 119 119 LEU HD22 H 1 0.645 0.000 . . . . . . A 119 LEU HD22 . 34511 1 1420 . 1 . 1 119 119 LEU HD23 H 1 0.645 0.000 . . . . . . A 119 LEU HD23 . 34511 1 1421 . 1 . 1 119 119 LEU C C 13 175.163 0.004 . . . . . . A 119 LEU C . 34511 1 1422 . 1 . 1 119 119 LEU CA C 13 58.875 0.033 . . . . . . A 119 LEU CA . 34511 1 1423 . 1 . 1 119 119 LEU CB C 13 41.355 0.024 . . . . . . A 119 LEU CB . 34511 1 1424 . 1 . 1 119 119 LEU CG C 13 29.443 0.000 . . . . . . A 119 LEU CG . 34511 1 1425 . 1 . 1 119 119 LEU CD1 C 13 26.258 0.000 . . . . . . A 119 LEU CD1 . 34511 1 1426 . 1 . 1 119 119 LEU CD2 C 13 24.366 0.010 . . . . . . A 119 LEU CD2 . 34511 1 1427 . 1 . 1 119 119 LEU N N 15 133.416 0.029 . . . . . . A 119 LEU N . 34511 1 1428 . 1 . 1 120 120 GLN H H 1 9.184 0.002 . . . . . . A 120 GLN H . 34511 1 1429 . 1 . 1 120 120 GLN HA H 1 4.462 0.000 . . . . . . A 120 GLN HA . 34511 1 1430 . 1 . 1 120 120 GLN HB2 H 1 1.861 0.000 . . . . . . A 120 GLN HB2 . 34511 1 1431 . 1 . 1 120 120 GLN HB3 H 1 1.970 0.000 . . . . . . A 120 GLN HB3 . 34511 1 1432 . 1 . 1 120 120 GLN HG2 H 1 2.288 0.000 . . . . . . A 120 GLN HG2 . 34511 1 1433 . 1 . 1 120 120 GLN HG3 H 1 2.218 0.000 . . . . . . A 120 GLN HG3 . 34511 1 1434 . 1 . 1 120 120 GLN HE21 H 1 7.631 0.000 . . . . . . A 120 GLN HE21 . 34511 1 1435 . 1 . 1 120 120 GLN HE22 H 1 6.858 0.000 . . . . . . A 120 GLN HE22 . 34511 1 1436 . 1 . 1 120 120 GLN C C 13 173.422 0.003 . . . . . . A 120 GLN C . 34511 1 1437 . 1 . 1 120 120 GLN CA C 13 54.552 0.025 . . . . . . A 120 GLN CA . 34511 1 1438 . 1 . 1 120 120 GLN CB C 13 32.461 0.040 . . . . . . A 120 GLN CB . 34511 1 1439 . 1 . 1 120 120 GLN CG C 13 34.079 0.026 . . . . . . A 120 GLN CG . 34511 1 1440 . 1 . 1 120 120 GLN N N 15 128.845 0.021 . . . . . . A 120 GLN N . 34511 1 1441 . 1 . 1 120 120 GLN NE2 N 15 112.137 0.005 . . . . . . A 120 GLN NE2 . 34511 1 1442 . 1 . 1 121 121 LEU H H 1 8.524 0.002 . . . . . . A 121 LEU H . 34511 1 1443 . 1 . 1 121 121 LEU HA H 1 4.649 0.000 . . . . . . A 121 LEU HA . 34511 1 1444 . 1 . 1 121 121 LEU HB2 H 1 1.417 0.000 . . . . . . A 121 LEU HB2 . 34511 1 1445 . 1 . 1 121 121 LEU HB3 H 1 1.210 0.000 . . . . . . A 121 LEU HB3 . 34511 1 1446 . 1 . 1 121 121 LEU HG H 1 1.293 0.000 . . . . . . A 121 LEU HG . 34511 1 1447 . 1 . 1 121 121 LEU HD11 H 1 0.720 0.000 . . . . . . A 121 LEU HD11 . 34511 1 1448 . 1 . 1 121 121 LEU HD12 H 1 0.720 0.000 . . . . . . A 121 LEU HD12 . 34511 1 1449 . 1 . 1 121 121 LEU HD13 H 1 0.720 0.000 . . . . . . A 121 LEU HD13 . 34511 1 1450 . 1 . 1 121 121 LEU HD21 H 1 0.286 0.000 . . . . . . A 121 LEU HD21 . 34511 1 1451 . 1 . 1 121 121 LEU HD22 H 1 0.286 0.000 . . . . . . A 121 LEU HD22 . 34511 1 1452 . 1 . 1 121 121 LEU HD23 H 1 0.286 0.000 . . . . . . A 121 LEU HD23 . 34511 1 1453 . 1 . 1 121 121 LEU C C 13 174.738 0.000 . . . . . . A 121 LEU C . 34511 1 1454 . 1 . 1 121 121 LEU CA C 13 51.315 0.034 . . . . . . A 121 LEU CA . 34511 1 1455 . 1 . 1 121 121 LEU CB C 13 41.151 0.028 . . . . . . A 121 LEU CB . 34511 1 1456 . 1 . 1 121 121 LEU CG C 13 26.862 0.000 . . . . . . A 121 LEU CG . 34511 1 1457 . 1 . 1 121 121 LEU CD1 C 13 25.825 0.000 . . . . . . A 121 LEU CD1 . 34511 1 1458 . 1 . 1 121 121 LEU CD2 C 13 22.459 0.000 . . . . . . A 121 LEU CD2 . 34511 1 1459 . 1 . 1 121 121 LEU N N 15 123.294 0.021 . . . . . . A 121 LEU N . 34511 1 1460 . 1 . 1 122 122 PRO HA H 1 4.254 0.003 . . . . . . A 122 PRO HA . 34511 1 1461 . 1 . 1 122 122 PRO HB2 H 1 1.750 0.000 . . . . . . A 122 PRO HB2 . 34511 1 1462 . 1 . 1 122 122 PRO HB3 H 1 2.253 0.000 . . . . . . A 122 PRO HB3 . 34511 1 1463 . 1 . 1 122 122 PRO HG2 H 1 1.992 0.000 . . . . . . A 122 PRO HG2 . 34511 1 1464 . 1 . 1 122 122 PRO HG3 H 1 1.867 0.000 . . . . . . A 122 PRO HG3 . 34511 1 1465 . 1 . 1 122 122 PRO HD2 H 1 3.379 0.000 . . . . . . A 122 PRO HD2 . 34511 1 1466 . 1 . 1 122 122 PRO HD3 H 1 3.558 0.000 . . . . . . A 122 PRO HD3 . 34511 1 1467 . 1 . 1 122 122 PRO C C 13 176.462 0.004 . . . . . . A 122 PRO C . 34511 1 1468 . 1 . 1 122 122 PRO CA C 13 62.903 0.010 . . . . . . A 122 PRO CA . 34511 1 1469 . 1 . 1 122 122 PRO CB C 13 32.226 0.027 . . . . . . A 122 PRO CB . 34511 1 1470 . 1 . 1 122 122 PRO CG C 13 27.818 0.174 . . . . . . A 122 PRO CG . 34511 1 1471 . 1 . 1 122 122 PRO CD C 13 50.638 0.033 . . . . . . A 122 PRO CD . 34511 1 1472 . 1 . 1 123 123 GLN H H 1 8.698 0.001 . . . . . . A 123 GLN H . 34511 1 1473 . 1 . 1 123 123 GLN HA H 1 4.041 0.000 . . . . . . A 123 GLN HA . 34511 1 1474 . 1 . 1 123 123 GLN HB2 H 1 2.030 0.000 . . . . . . A 123 GLN HB2 . 34511 1 1475 . 1 . 1 123 123 GLN HB3 H 1 2.002 0.000 . . . . . . A 123 GLN HB3 . 34511 1 1476 . 1 . 1 123 123 GLN HG2 H 1 2.407 0.000 . . . . . . A 123 GLN HG2 . 34511 1 1477 . 1 . 1 123 123 GLN HG3 H 1 2.407 0.000 . . . . . . A 123 GLN HG3 . 34511 1 1478 . 1 . 1 123 123 GLN HE21 H 1 7.567 0.000 . . . . . . A 123 GLN HE21 . 34511 1 1479 . 1 . 1 123 123 GLN HE22 H 1 6.853 0.000 . . . . . . A 123 GLN HE22 . 34511 1 1480 . 1 . 1 123 123 GLN C C 13 176.828 0.002 . . . . . . A 123 GLN C . 34511 1 1481 . 1 . 1 123 123 GLN CA C 13 57.838 0.031 . . . . . . A 123 GLN CA . 34511 1 1482 . 1 . 1 123 123 GLN CB C 13 28.312 0.029 . . . . . . A 123 GLN CB . 34511 1 1483 . 1 . 1 123 123 GLN CG C 13 33.632 0.024 . . . . . . A 123 GLN CG . 34511 1 1484 . 1 . 1 123 123 GLN N N 15 122.878 0.014 . . . . . . A 123 GLN N . 34511 1 1485 . 1 . 1 123 123 GLN NE2 N 15 112.391 0.001 . . . . . . A 123 GLN NE2 . 34511 1 1486 . 1 . 1 124 124 GLY H H 1 8.876 0.001 . . . . . . A 124 GLY H . 34511 1 1487 . 1 . 1 124 124 GLY HA2 H 1 4.252 0.000 . . . . . . A 124 GLY HA2 . 34511 1 1488 . 1 . 1 124 124 GLY HA3 H 1 3.644 0.000 . . . . . . A 124 GLY HA3 . 34511 1 1489 . 1 . 1 124 124 GLY C C 13 174.471 0.002 . . . . . . A 124 GLY C . 34511 1 1490 . 1 . 1 124 124 GLY CA C 13 44.917 0.008 . . . . . . A 124 GLY CA . 34511 1 1491 . 1 . 1 124 124 GLY N N 15 113.299 0.006 . . . . . . A 124 GLY N . 34511 1 1492 . 1 . 1 125 125 THR H H 1 7.845 0.002 . . . . . . A 125 THR H . 34511 1 1493 . 1 . 1 125 125 THR HA H 1 4.286 0.000 . . . . . . A 125 THR HA . 34511 1 1494 . 1 . 1 125 125 THR HB H 1 3.978 0.000 . . . . . . A 125 THR HB . 34511 1 1495 . 1 . 1 125 125 THR HG1 H 1 5.792 0.000 . . . . . . A 125 THR HG1 . 34511 1 1496 . 1 . 1 125 125 THR HG21 H 1 1.173 0.000 . . . . . . A 125 THR HG21 . 34511 1 1497 . 1 . 1 125 125 THR HG22 H 1 1.173 0.000 . . . . . . A 125 THR HG22 . 34511 1 1498 . 1 . 1 125 125 THR HG23 H 1 1.173 0.000 . . . . . . A 125 THR HG23 . 34511 1 1499 . 1 . 1 125 125 THR C C 13 173.812 0.004 . . . . . . A 125 THR C . 34511 1 1500 . 1 . 1 125 125 THR CA C 13 62.798 0.038 . . . . . . A 125 THR CA . 34511 1 1501 . 1 . 1 125 125 THR CB C 13 69.572 0.036 . . . . . . A 125 THR CB . 34511 1 1502 . 1 . 1 125 125 THR CG2 C 13 22.108 0.024 . . . . . . A 125 THR CG2 . 34511 1 1503 . 1 . 1 125 125 THR N N 15 117.221 0.009 . . . . . . A 125 THR N . 34511 1 1504 . 1 . 1 126 126 THR H H 1 8.821 0.002 . . . . . . A 126 THR H . 34511 1 1505 . 1 . 1 126 126 THR HA H 1 4.356 0.000 . . . . . . A 126 THR HA . 34511 1 1506 . 1 . 1 126 126 THR HB H 1 4.004 0.000 . . . . . . A 126 THR HB . 34511 1 1507 . 1 . 1 126 126 THR HG21 H 1 1.120 0.000 . . . . . . A 126 THR HG21 . 34511 1 1508 . 1 . 1 126 126 THR HG22 H 1 1.120 0.000 . . . . . . A 126 THR HG22 . 34511 1 1509 . 1 . 1 126 126 THR HG23 H 1 1.120 0.000 . . . . . . A 126 THR HG23 . 34511 1 1510 . 1 . 1 126 126 THR C C 13 173.421 0.002 . . . . . . A 126 THR C . 34511 1 1511 . 1 . 1 126 126 THR CA C 13 61.303 0.043 . . . . . . A 126 THR CA . 34511 1 1512 . 1 . 1 126 126 THR CB C 13 70.122 0.175 . . . . . . A 126 THR CB . 34511 1 1513 . 1 . 1 126 126 THR CG2 C 13 21.466 0.000 . . . . . . A 126 THR CG2 . 34511 1 1514 . 1 . 1 126 126 THR N N 15 122.665 0.014 . . . . . . A 126 THR N . 34511 1 1515 . 1 . 1 127 127 LEU H H 1 8.417 0.001 . . . . . . A 127 LEU H . 34511 1 1516 . 1 . 1 127 127 LEU HA H 1 4.314 0.000 . . . . . . A 127 LEU HA . 34511 1 1517 . 1 . 1 127 127 LEU HB2 H 1 1.528 0.000 . . . . . . A 127 LEU HB2 . 34511 1 1518 . 1 . 1 127 127 LEU HB3 H 1 1.332 0.000 . . . . . . A 127 LEU HB3 . 34511 1 1519 . 1 . 1 127 127 LEU HG H 1 1.588 0.000 . . . . . . A 127 LEU HG . 34511 1 1520 . 1 . 1 127 127 LEU HD11 H 1 0.689 0.000 . . . . . . A 127 LEU HD11 . 34511 1 1521 . 1 . 1 127 127 LEU HD12 H 1 0.689 0.000 . . . . . . A 127 LEU HD12 . 34511 1 1522 . 1 . 1 127 127 LEU HD13 H 1 0.689 0.000 . . . . . . A 127 LEU HD13 . 34511 1 1523 . 1 . 1 127 127 LEU HD21 H 1 0.771 0.000 . . . . . . A 127 LEU HD21 . 34511 1 1524 . 1 . 1 127 127 LEU HD22 H 1 0.771 0.000 . . . . . . A 127 LEU HD22 . 34511 1 1525 . 1 . 1 127 127 LEU HD23 H 1 0.771 0.000 . . . . . . A 127 LEU HD23 . 34511 1 1526 . 1 . 1 127 127 LEU C C 13 174.733 0.000 . . . . . . A 127 LEU C . 34511 1 1527 . 1 . 1 127 127 LEU CA C 13 52.568 0.045 . . . . . . A 127 LEU CA . 34511 1 1528 . 1 . 1 127 127 LEU CB C 13 42.369 0.014 . . . . . . A 127 LEU CB . 34511 1 1529 . 1 . 1 127 127 LEU CG C 13 27.123 0.000 . . . . . . A 127 LEU CG . 34511 1 1530 . 1 . 1 127 127 LEU CD1 C 13 25.025 0.000 . . . . . . A 127 LEU CD1 . 34511 1 1531 . 1 . 1 127 127 LEU CD2 C 13 25.526 0.000 . . . . . . A 127 LEU CD2 . 34511 1 1532 . 1 . 1 127 127 LEU N N 15 126.988 0.011 . . . . . . A 127 LEU N . 34511 1 1533 . 1 . 1 128 128 PRO HA H 1 4.295 0.000 . . . . . . A 128 PRO HA . 34511 1 1534 . 1 . 1 128 128 PRO HB2 H 1 1.627 0.000 . . . . . . A 128 PRO HB2 . 34511 1 1535 . 1 . 1 128 128 PRO HB3 H 1 2.187 0.000 . . . . . . A 128 PRO HB3 . 34511 1 1536 . 1 . 1 128 128 PRO HG2 H 1 1.344 0.000 . . . . . . A 128 PRO HG2 . 34511 1 1537 . 1 . 1 128 128 PRO HG3 H 1 1.114 0.000 . . . . . . A 128 PRO HG3 . 34511 1 1538 . 1 . 1 128 128 PRO HD2 H 1 3.330 0.000 . . . . . . A 128 PRO HD2 . 34511 1 1539 . 1 . 1 128 128 PRO HD3 H 1 2.570 0.000 . . . . . . A 128 PRO HD3 . 34511 1 1540 . 1 . 1 128 128 PRO C C 13 175.618 0.000 . . . . . . A 128 PRO C . 34511 1 1541 . 1 . 1 128 128 PRO CA C 13 62.187 0.008 . . . . . . A 128 PRO CA . 34511 1 1542 . 1 . 1 128 128 PRO CB C 13 31.219 0.016 . . . . . . A 128 PRO CB . 34511 1 1543 . 1 . 1 128 128 PRO CG C 13 27.680 0.006 . . . . . . A 128 PRO CG . 34511 1 1544 . 1 . 1 128 128 PRO CD C 13 50.173 0.025 . . . . . . A 128 PRO CD . 34511 1 1545 . 1 . 1 129 129 LYS H H 1 8.277 0.002 . . . . . . A 129 LYS H . 34511 1 1546 . 1 . 1 129 129 LYS HA H 1 4.024 0.000 . . . . . . A 129 LYS HA . 34511 1 1547 . 1 . 1 129 129 LYS HB2 H 1 1.775 0.000 . . . . . . A 129 LYS HB2 . 34511 1 1548 . 1 . 1 129 129 LYS HB3 H 1 1.727 0.000 . . . . . . A 129 LYS HB3 . 34511 1 1549 . 1 . 1 129 129 LYS HG2 H 1 1.423 0.000 . . . . . . A 129 LYS HG2 . 34511 1 1550 . 1 . 1 129 129 LYS HG3 H 1 1.511 0.000 . . . . . . A 129 LYS HG3 . 34511 1 1551 . 1 . 1 129 129 LYS HD2 H 1 1.696 0.000 . . . . . . A 129 LYS HD2 . 34511 1 1552 . 1 . 1 129 129 LYS HD3 H 1 1.696 0.000 . . . . . . A 129 LYS HD3 . 34511 1 1553 . 1 . 1 129 129 LYS HE2 H 1 3.000 0.000 . . . . . . A 129 LYS HE2 . 34511 1 1554 . 1 . 1 129 129 LYS HE3 H 1 3.000 0.000 . . . . . . A 129 LYS HE3 . 34511 1 1555 . 1 . 1 129 129 LYS C C 13 177.783 0.007 . . . . . . A 129 LYS C . 34511 1 1556 . 1 . 1 129 129 LYS CA C 13 57.917 0.048 . . . . . . A 129 LYS CA . 34511 1 1557 . 1 . 1 129 129 LYS CB C 13 32.325 0.020 . . . . . . A 129 LYS CB . 34511 1 1558 . 1 . 1 129 129 LYS CG C 13 24.766 0.041 . . . . . . A 129 LYS CG . 34511 1 1559 . 1 . 1 129 129 LYS CD C 13 29.229 0.013 . . . . . . A 129 LYS CD . 34511 1 1560 . 1 . 1 129 129 LYS CE C 13 42.146 0.000 . . . . . . A 129 LYS CE . 34511 1 1561 . 1 . 1 129 129 LYS N N 15 121.658 0.014 . . . . . . A 129 LYS N . 34511 1 1562 . 1 . 1 130 130 GLY H H 1 8.738 0.003 . . . . . . A 130 GLY H . 34511 1 1563 . 1 . 1 130 130 GLY HA2 H 1 4.022 0.000 . . . . . . A 130 GLY HA2 . 34511 1 1564 . 1 . 1 130 130 GLY HA3 H 1 3.563 0.000 . . . . . . A 130 GLY HA3 . 34511 1 1565 . 1 . 1 130 130 GLY C C 13 173.270 0.006 . . . . . . A 130 GLY C . 34511 1 1566 . 1 . 1 130 130 GLY CA C 13 45.148 0.036 . . . . . . A 130 GLY CA . 34511 1 1567 . 1 . 1 130 130 GLY N N 15 110.789 0.014 . . . . . . A 130 GLY N . 34511 1 1568 . 1 . 1 131 131 PHE H H 1 7.555 0.003 . . . . . . A 131 PHE H . 34511 1 1569 . 1 . 1 131 131 PHE HA H 1 5.241 0.000 . . . . . . A 131 PHE HA . 34511 1 1570 . 1 . 1 131 131 PHE HB2 H 1 2.811 0.000 . . . . . . A 131 PHE HB2 . 34511 1 1571 . 1 . 1 131 131 PHE HB3 H 1 2.456 0.000 . . . . . . A 131 PHE HB3 . 34511 1 1572 . 1 . 1 131 131 PHE HD1 H 1 6.722 0.002 . . . . . . A 131 PHE HD1 . 34511 1 1573 . 1 . 1 131 131 PHE HD2 H 1 6.722 0.002 . . . . . . A 131 PHE HD2 . 34511 1 1574 . 1 . 1 131 131 PHE HE1 H 1 6.763 0.007 . . . . . . A 131 PHE HE1 . 34511 1 1575 . 1 . 1 131 131 PHE HE2 H 1 6.763 0.007 . . . . . . A 131 PHE HE2 . 34511 1 1576 . 1 . 1 131 131 PHE HZ H 1 6.425 0.000 . . . . . . A 131 PHE HZ . 34511 1 1577 . 1 . 1 131 131 PHE C C 13 175.002 0.030 . . . . . . A 131 PHE C . 34511 1 1578 . 1 . 1 131 131 PHE CA C 13 57.319 0.044 . . . . . . A 131 PHE CA . 34511 1 1579 . 1 . 1 131 131 PHE CB C 13 41.949 0.018 . . . . . . A 131 PHE CB . 34511 1 1580 . 1 . 1 131 131 PHE CD1 C 13 131.559 0.000 . . . . . . A 131 PHE CD1 . 34511 1 1581 . 1 . 1 131 131 PHE N N 15 117.563 0.019 . . . . . . A 131 PHE N . 34511 1 1582 . 1 . 1 132 132 TYR H H 1 8.581 0.002 . . . . . . A 132 TYR H . 34511 1 1583 . 1 . 1 132 132 TYR HA H 1 4.713 0.000 . . . . . . A 132 TYR HA . 34511 1 1584 . 1 . 1 132 132 TYR HB2 H 1 2.792 0.000 . . . . . . A 132 TYR HB2 . 34511 1 1585 . 1 . 1 132 132 TYR HB3 H 1 2.986 0.000 . . . . . . A 132 TYR HB3 . 34511 1 1586 . 1 . 1 132 132 TYR HD1 H 1 6.912 0.000 . . . . . . A 132 TYR HD1 . 34511 1 1587 . 1 . 1 132 132 TYR HD2 H 1 6.912 0.000 . . . . . . A 132 TYR HD2 . 34511 1 1588 . 1 . 1 132 132 TYR HE1 H 1 6.590 0.000 . . . . . . A 132 TYR HE1 . 34511 1 1589 . 1 . 1 132 132 TYR HE2 H 1 6.590 0.000 . . . . . . A 132 TYR HE2 . 34511 1 1590 . 1 . 1 132 132 TYR C C 13 173.866 0.010 . . . . . . A 132 TYR C . 34511 1 1591 . 1 . 1 132 132 TYR CA C 13 56.495 0.017 . . . . . . A 132 TYR CA . 34511 1 1592 . 1 . 1 132 132 TYR CB C 13 41.482 0.035 . . . . . . A 132 TYR CB . 34511 1 1593 . 1 . 1 132 132 TYR CD1 C 13 133.537 0.000 . . . . . . A 132 TYR CD1 . 34511 1 1594 . 1 . 1 132 132 TYR CE1 C 13 117.943 0.000 . . . . . . A 132 TYR CE1 . 34511 1 1595 . 1 . 1 132 132 TYR N N 15 118.228 0.003 . . . . . . A 132 TYR N . 34511 1 1596 . 1 . 1 133 133 ALA H H 1 8.775 0.002 . . . . . . A 133 ALA H . 34511 1 1597 . 1 . 1 133 133 ALA HA H 1 4.738 0.000 . . . . . . A 133 ALA HA . 34511 1 1598 . 1 . 1 133 133 ALA HB1 H 1 1.375 0.000 . . . . . . A 133 ALA HB1 . 34511 1 1599 . 1 . 1 133 133 ALA HB2 H 1 1.375 0.000 . . . . . . A 133 ALA HB2 . 34511 1 1600 . 1 . 1 133 133 ALA HB3 H 1 1.375 0.000 . . . . . . A 133 ALA HB3 . 34511 1 1601 . 1 . 1 133 133 ALA C C 13 177.392 0.004 . . . . . . A 133 ALA C . 34511 1 1602 . 1 . 1 133 133 ALA CA C 13 51.672 0.032 . . . . . . A 133 ALA CA . 34511 1 1603 . 1 . 1 133 133 ALA CB C 13 19.360 0.025 . . . . . . A 133 ALA CB . 34511 1 1604 . 1 . 1 133 133 ALA N N 15 126.541 0.008 . . . . . . A 133 ALA N . 34511 1 1605 . 1 . 1 134 134 GLU H H 1 8.804 0.002 . . . . . . A 134 GLU H . 34511 1 1606 . 1 . 1 134 134 GLU HA H 1 4.273 0.000 . . . . . . A 134 GLU HA . 34511 1 1607 . 1 . 1 134 134 GLU HB2 H 1 2.097 0.000 . . . . . . A 134 GLU HB2 . 34511 1 1608 . 1 . 1 134 134 GLU HB3 H 1 2.192 0.000 . . . . . . A 134 GLU HB3 . 34511 1 1609 . 1 . 1 134 134 GLU HG2 H 1 2.389 0.000 . . . . . . A 134 GLU HG2 . 34511 1 1610 . 1 . 1 134 134 GLU HG3 H 1 2.389 0.000 . . . . . . A 134 GLU HG3 . 34511 1 1611 . 1 . 1 134 134 GLU C C 13 177.289 0.008 . . . . . . A 134 GLU C . 34511 1 1612 . 1 . 1 134 134 GLU CA C 13 57.451 0.024 . . . . . . A 134 GLU CA . 34511 1 1613 . 1 . 1 134 134 GLU CB C 13 30.253 0.032 . . . . . . A 134 GLU CB . 34511 1 1614 . 1 . 1 134 134 GLU CG C 13 36.391 0.016 . . . . . . A 134 GLU CG . 34511 1 1615 . 1 . 1 134 134 GLU N N 15 124.678 0.010 . . . . . . A 134 GLU N . 34511 1 1616 . 1 . 1 135 135 GLY H H 1 8.771 0.002 . . . . . . A 135 GLY H . 34511 1 1617 . 1 . 1 135 135 GLY HA2 H 1 4.172 0.000 . . . . . . A 135 GLY HA2 . 34511 1 1618 . 1 . 1 135 135 GLY HA3 H 1 4.002 0.000 . . . . . . A 135 GLY HA3 . 34511 1 1619 . 1 . 1 135 135 GLY C C 13 174.444 0.004 . . . . . . A 135 GLY C . 34511 1 1620 . 1 . 1 135 135 GLY CA C 13 45.194 0.043 . . . . . . A 135 GLY CA . 34511 1 1621 . 1 . 1 135 135 GLY N N 15 110.878 0.010 . . . . . . A 135 GLY N . 34511 1 1622 . 1 . 1 136 136 SER H H 1 8.169 0.001 . . . . . . A 136 SER H . 34511 1 1623 . 1 . 1 136 136 SER HA H 1 4.420 0.000 . . . . . . A 136 SER HA . 34511 1 1624 . 1 . 1 136 136 SER HB2 H 1 3.845 0.000 . . . . . . A 136 SER HB2 . 34511 1 1625 . 1 . 1 136 136 SER HB3 H 1 3.950 0.000 . . . . . . A 136 SER HB3 . 34511 1 1626 . 1 . 1 136 136 SER C C 13 174.879 0.004 . . . . . . A 136 SER C . 34511 1 1627 . 1 . 1 136 136 SER CA C 13 58.754 0.017 . . . . . . A 136 SER CA . 34511 1 1628 . 1 . 1 136 136 SER CB C 13 64.192 0.013 . . . . . . A 136 SER CB . 34511 1 1629 . 1 . 1 136 136 SER N N 15 115.033 0.002 . . . . . . A 136 SER N . 34511 1 1630 . 1 . 1 137 137 ARG H H 1 8.523 0.001 . . . . . . A 137 ARG H . 34511 1 1631 . 1 . 1 137 137 ARG HA H 1 4.419 0.001 . . . . . . A 137 ARG HA . 34511 1 1632 . 1 . 1 137 137 ARG HB2 H 1 1.782 0.000 . . . . . . A 137 ARG HB2 . 34511 1 1633 . 1 . 1 137 137 ARG HB3 H 1 1.915 0.000 . . . . . . A 137 ARG HB3 . 34511 1 1634 . 1 . 1 137 137 ARG HG2 H 1 1.612 0.000 . . . . . . A 137 ARG HG2 . 34511 1 1635 . 1 . 1 137 137 ARG HG3 H 1 1.612 0.000 . . . . . . A 137 ARG HG3 . 34511 1 1636 . 1 . 1 137 137 ARG HD2 H 1 3.153 0.000 . . . . . . A 137 ARG HD2 . 34511 1 1637 . 1 . 1 137 137 ARG HD3 H 1 3.153 0.000 . . . . . . A 137 ARG HD3 . 34511 1 1638 . 1 . 1 137 137 ARG HE H 1 7.174 0.000 . . . . . . A 137 ARG HE . 34511 1 1639 . 1 . 1 137 137 ARG C C 13 176.845 0.002 . . . . . . A 137 ARG C . 34511 1 1640 . 1 . 1 137 137 ARG CA C 13 56.278 0.023 . . . . . . A 137 ARG CA . 34511 1 1641 . 1 . 1 137 137 ARG CB C 13 30.639 0.009 . . . . . . A 137 ARG CB . 34511 1 1642 . 1 . 1 137 137 ARG CG C 13 27.058 0.023 . . . . . . A 137 ARG CG . 34511 1 1643 . 1 . 1 137 137 ARG CD C 13 43.327 0.028 . . . . . . A 137 ARG CD . 34511 1 1644 . 1 . 1 137 137 ARG N N 15 122.767 0.004 . . . . . . A 137 ARG N . 34511 1 1645 . 1 . 1 137 137 ARG NE N 15 84.775 0.000 . . . . . . A 137 ARG NE . 34511 1 1646 . 1 . 1 138 138 GLY H H 1 8.406 0.002 . . . . . . A 138 GLY H . 34511 1 1647 . 1 . 1 138 138 GLY HA2 H 1 3.958 0.000 . . . . . . A 138 GLY HA2 . 34511 1 1648 . 1 . 1 138 138 GLY HA3 H 1 3.958 0.000 . . . . . . A 138 GLY HA3 . 34511 1 1649 . 1 . 1 138 138 GLY C C 13 174.592 0.002 . . . . . . A 138 GLY C . 34511 1 1650 . 1 . 1 138 138 GLY CA C 13 45.447 0.017 . . . . . . A 138 GLY CA . 34511 1 1651 . 1 . 1 138 138 GLY N N 15 110.049 0.002 . . . . . . A 138 GLY N . 34511 1 1652 . 1 . 1 139 139 GLY H H 1 8.286 0.001 . . . . . . A 139 GLY H . 34511 1 1653 . 1 . 1 139 139 GLY HA2 H 1 3.979 0.000 . . . . . . A 139 GLY HA2 . 34511 1 1654 . 1 . 1 139 139 GLY HA3 H 1 3.979 0.000 . . . . . . A 139 GLY HA3 . 34511 1 1655 . 1 . 1 139 139 GLY C C 13 173.520 0.004 . . . . . . A 139 GLY C . 34511 1 1656 . 1 . 1 139 139 GLY CA C 13 45.339 0.036 . . . . . . A 139 GLY CA . 34511 1 1657 . 1 . 1 139 139 GLY N N 15 109.512 0.001 . . . . . . A 139 GLY N . 34511 1 1658 . 1 . 1 140 140 SER H H 1 7.887 0.001 . . . . . . A 140 SER H . 34511 1 1659 . 1 . 1 140 140 SER HA H 1 4.305 0.000 . . . . . . A 140 SER HA . 34511 1 1660 . 1 . 1 140 140 SER HB2 H 1 3.854 0.000 . . . . . . A 140 SER HB2 . 34511 1 1661 . 1 . 1 140 140 SER HB3 H 1 3.854 0.000 . . . . . . A 140 SER HB3 . 34511 1 1662 . 1 . 1 140 140 SER C C 13 178.733 0.000 . . . . . . A 140 SER C . 34511 1 1663 . 1 . 1 140 140 SER CA C 13 59.941 0.028 . . . . . . A 140 SER CA . 34511 1 1664 . 1 . 1 140 140 SER CB C 13 64.976 0.023 . . . . . . A 140 SER CB . 34511 1 1665 . 1 . 1 140 140 SER N N 15 121.149 0.002 . . . . . . A 140 SER N . 34511 1 stop_ save_