data_28131 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28131 _Entry.Title ; 1H 15N 13C Resonance Assignments of Receptor Binding Domain 2 of CDTb (757-876) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-10 _Entry.Accession_date 2020-06-10 _Entry.Last_release_date 2020-06-10 _Entry.Original_release_date 2020-06-10 _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_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 Mary Cook . E. . . 28131 2 Kristen Varney . M. . . 28131 3 Raquel Godoy-Ruiz . . . . 28131 4 David Weber . J. . . 28131 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Maryland School of Medicine, Baltimore' . 28131 2 . 'Center for Biomolecular Therapeutics' . 28131 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28131 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 431 28131 '15N chemical shifts' 116 28131 '1H chemical shifts' 574 28131 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 1 . . 2021-07-16 . original BMRB . 28131 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28131 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33034833 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1HN, 13C, AND 15N RESONANCE ASSIGNMENTS OF RECEPTOR BINDING DOMAIN 2 (CDTB, RESIDUES 757-876) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 35 _Citation.Page_last 39 _Citation.Year 2021 _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 Mary Cook . E. . . 28131 1 2 Kristen Varney . M. . . 28131 1 3 Raquel Godoy-Ruiz . . . . 28131 1 4 David Weber . J. . . 28131 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Binary toxin' 28131 1 CDI 28131 1 CDTb 28131 1 'Clostridium difficile' 28131 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28131 _Assembly.ID 1 _Assembly.Name CDTb _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 RBD2 1 $CDTb_receptor_binding_domain_2 A . yes native no no . . . 28131 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CDTb_receptor_binding_domain_2 _Entity.Sf_category entity _Entity.Sf_framecode CDTb_receptor_binding_domain_2 _Entity.Entry_ID 28131 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CDTb_receptor_binding_domain_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DDDDKTDQEIMDAHKIYFAD LNFNPSTGNTYINGMYFAPT QTNKEALDYIQKYRVEATLQ YSGFKDIGTKDKEMRNYLGD PNQPKTNYVNLRSYFTGGEN IMTYKKLRIYAITPDDRELL VLSVD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 757 THR 758 ASP 759 GLN ...... 874 SER 875 VAL 876 ASP ; _Entity.Polymer_author_seq_details ; 6 THR corresponds to 757 THR in full-length CDTb; start author sequence numbering at 6 THR. (There is a HIS-tag present). ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASP . 28131 1 2 . ASP . 28131 1 3 . ASP . 28131 1 4 . ASP . 28131 1 5 . LYS . 28131 1 6 . THR . 28131 1 7 . ASP . 28131 1 8 . GLN . 28131 1 9 . GLU . 28131 1 10 . ILE . 28131 1 11 . MET . 28131 1 12 . ASP . 28131 1 13 . ALA . 28131 1 14 . HIS . 28131 1 15 . LYS . 28131 1 16 . ILE . 28131 1 17 . TYR . 28131 1 18 . PHE . 28131 1 19 . ALA . 28131 1 20 . ASP . 28131 1 21 . LEU . 28131 1 22 . ASN . 28131 1 23 . PHE . 28131 1 24 . ASN . 28131 1 25 . PRO . 28131 1 26 . SER . 28131 1 27 . THR . 28131 1 28 . GLY . 28131 1 29 . ASN . 28131 1 30 . THR . 28131 1 31 . TYR . 28131 1 32 . ILE . 28131 1 33 . ASN . 28131 1 34 . GLY . 28131 1 35 . MET . 28131 1 36 . TYR . 28131 1 37 . PHE . 28131 1 38 . ALA . 28131 1 39 . PRO . 28131 1 40 . THR . 28131 1 41 . GLN . 28131 1 42 . THR . 28131 1 43 . ASN . 28131 1 44 . LYS . 28131 1 45 . GLU . 28131 1 46 . ALA . 28131 1 47 . LEU . 28131 1 48 . ASP . 28131 1 49 . TYR . 28131 1 50 . ILE . 28131 1 51 . GLN . 28131 1 52 . LYS . 28131 1 53 . TYR . 28131 1 54 . ARG . 28131 1 55 . VAL . 28131 1 56 . GLU . 28131 1 57 . ALA . 28131 1 58 . THR . 28131 1 59 . LEU . 28131 1 60 . GLN . 28131 1 61 . TYR . 28131 1 62 . SER . 28131 1 63 . GLY . 28131 1 64 . PHE . 28131 1 65 . LYS . 28131 1 66 . ASP . 28131 1 67 . ILE . 28131 1 68 . GLY . 28131 1 69 . THR . 28131 1 70 . LYS . 28131 1 71 . ASP . 28131 1 72 . LYS . 28131 1 73 . GLU . 28131 1 74 . MET . 28131 1 75 . ARG . 28131 1 76 . ASN . 28131 1 77 . TYR . 28131 1 78 . LEU . 28131 1 79 . GLY . 28131 1 80 . ASP . 28131 1 81 . PRO . 28131 1 82 . ASN . 28131 1 83 . GLN . 28131 1 84 . PRO . 28131 1 85 . LYS . 28131 1 86 . THR . 28131 1 87 . ASN . 28131 1 88 . TYR . 28131 1 89 . VAL . 28131 1 90 . ASN . 28131 1 91 . LEU . 28131 1 92 . ARG . 28131 1 93 . SER . 28131 1 94 . TYR . 28131 1 95 . PHE . 28131 1 96 . THR . 28131 1 97 . GLY . 28131 1 98 . GLY . 28131 1 99 . GLU . 28131 1 100 . ASN . 28131 1 101 . ILE . 28131 1 102 . MET . 28131 1 103 . THR . 28131 1 104 . TYR . 28131 1 105 . LYS . 28131 1 106 . LYS . 28131 1 107 . LEU . 28131 1 108 . ARG . 28131 1 109 . ILE . 28131 1 110 . TYR . 28131 1 111 . ALA . 28131 1 112 . ILE . 28131 1 113 . THR . 28131 1 114 . PRO . 28131 1 115 . ASP . 28131 1 116 . ASP . 28131 1 117 . ARG . 28131 1 118 . GLU . 28131 1 119 . LEU . 28131 1 120 . LEU . 28131 1 121 . VAL . 28131 1 122 . LEU . 28131 1 123 . SER . 28131 1 124 . VAL . 28131 1 125 . ASP . 28131 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 . ASP 1 1 28131 1 . ASP 2 2 28131 1 . ASP 3 3 28131 1 . ASP 4 4 28131 1 . LYS 5 5 28131 1 . THR 6 6 28131 1 . ASP 7 7 28131 1 . GLN 8 8 28131 1 . GLU 9 9 28131 1 . ILE 10 10 28131 1 . MET 11 11 28131 1 . ASP 12 12 28131 1 . ALA 13 13 28131 1 . HIS 14 14 28131 1 . LYS 15 15 28131 1 . ILE 16 16 28131 1 . TYR 17 17 28131 1 . PHE 18 18 28131 1 . ALA 19 19 28131 1 . ASP 20 20 28131 1 . LEU 21 21 28131 1 . ASN 22 22 28131 1 . PHE 23 23 28131 1 . ASN 24 24 28131 1 . PRO 25 25 28131 1 . SER 26 26 28131 1 . THR 27 27 28131 1 . GLY 28 28 28131 1 . ASN 29 29 28131 1 . THR 30 30 28131 1 . TYR 31 31 28131 1 . ILE 32 32 28131 1 . ASN 33 33 28131 1 . GLY 34 34 28131 1 . MET 35 35 28131 1 . TYR 36 36 28131 1 . PHE 37 37 28131 1 . ALA 38 38 28131 1 . PRO 39 39 28131 1 . THR 40 40 28131 1 . GLN 41 41 28131 1 . THR 42 42 28131 1 . ASN 43 43 28131 1 . LYS 44 44 28131 1 . GLU 45 45 28131 1 . ALA 46 46 28131 1 . LEU 47 47 28131 1 . ASP 48 48 28131 1 . TYR 49 49 28131 1 . ILE 50 50 28131 1 . GLN 51 51 28131 1 . LYS 52 52 28131 1 . TYR 53 53 28131 1 . ARG 54 54 28131 1 . VAL 55 55 28131 1 . GLU 56 56 28131 1 . ALA 57 57 28131 1 . THR 58 58 28131 1 . LEU 59 59 28131 1 . GLN 60 60 28131 1 . TYR 61 61 28131 1 . SER 62 62 28131 1 . GLY 63 63 28131 1 . PHE 64 64 28131 1 . LYS 65 65 28131 1 . ASP 66 66 28131 1 . ILE 67 67 28131 1 . GLY 68 68 28131 1 . THR 69 69 28131 1 . LYS 70 70 28131 1 . ASP 71 71 28131 1 . LYS 72 72 28131 1 . GLU 73 73 28131 1 . MET 74 74 28131 1 . ARG 75 75 28131 1 . ASN 76 76 28131 1 . TYR 77 77 28131 1 . LEU 78 78 28131 1 . GLY 79 79 28131 1 . ASP 80 80 28131 1 . PRO 81 81 28131 1 . ASN 82 82 28131 1 . GLN 83 83 28131 1 . PRO 84 84 28131 1 . LYS 85 85 28131 1 . THR 86 86 28131 1 . ASN 87 87 28131 1 . TYR 88 88 28131 1 . VAL 89 89 28131 1 . ASN 90 90 28131 1 . LEU 91 91 28131 1 . ARG 92 92 28131 1 . SER 93 93 28131 1 . TYR 94 94 28131 1 . PHE 95 95 28131 1 . THR 96 96 28131 1 . GLY 97 97 28131 1 . GLY 98 98 28131 1 . GLU 99 99 28131 1 . ASN 100 100 28131 1 . ILE 101 101 28131 1 . MET 102 102 28131 1 . THR 103 103 28131 1 . TYR 104 104 28131 1 . LYS 105 105 28131 1 . LYS 106 106 28131 1 . LEU 107 107 28131 1 . ARG 108 108 28131 1 . ILE 109 109 28131 1 . TYR 110 110 28131 1 . ALA 111 111 28131 1 . ILE 112 112 28131 1 . THR 113 113 28131 1 . PRO 114 114 28131 1 . ASP 115 115 28131 1 . ASP 116 116 28131 1 . ARG 117 117 28131 1 . GLU 118 118 28131 1 . LEU 119 119 28131 1 . LEU 120 120 28131 1 . VAL 121 121 28131 1 . LEU 122 122 28131 1 . SER 123 123 28131 1 . VAL 124 124 28131 1 . ASP 125 125 28131 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 28131 _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 $CDTb_receptor_binding_domain_2 . 1496 organism . 'Clostridium difficile' 'Clostridium difficile' . . Bacteria . Clostridium difficile . . . . . . . . . . . . . 28131 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 28131 _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 $CDTb_receptor_binding_domain_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21 . . . 28131 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_RBD2 _Sample.Sf_category sample _Sample.Sf_framecode RBD2 _Sample.Entry_ID 28131 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HEPES 'natural abundance' . . . . . . 15 . . mM . . . . 28131 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 28131 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 28131 1 4 RBD2 '[U-13C; U-15N]' . . 1 $CDTb_receptor_binding_domain_2 . . 0.5 . . mM . . . . 28131 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 28131 _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' 150 . mM 28131 1 pH 7.0 . pH 28131 1 pressure 1 . atm 28131 1 temperature 273 . K 28131 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28131 _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' . . 28131 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28131 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28131 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 28131 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 28131 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 28131 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 28131 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28131 3 'peak picking' . 28131 3 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 28131 _Software.ID 4 _Software.Type . _Software.Name CSI _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Berjanskii, Wishart' . . 28131 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'secondary structure prediction' . 28131 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28131 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 28131 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 28131 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28131 _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 spectrometer_1 Bruker 'Avance III' . 950 . . . 28131 1 2 spectrometer_2 Bruker 'Avance III' . 600 . . . 28131 1 3 spectrometer_3 Bruker Avance . 800 . . . 28131 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 28131 _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 $RBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28131 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $RBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28131 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $RBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28131 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $RBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28131 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $RBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28131 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $RBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28131 1 7 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $RBD2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 28131 1 8 '3D C(CO)NH' no . . . . . . . . . . . . 1 $RBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28131 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28131 _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 TSP 'methyl protons' . . . . na 0.0 external indirect 0.251449530 . . . . . 28131 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external indirect 1.0 . . . . . 28131 1 N 15 TSP 'methyl protons' . . . . na 0.0 external indirect 0.101329118 . . . . . 28131 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28131 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28131 1 2 '3D HNCA' . . . 28131 1 3 '3D HN(CO)CA' . . . 28131 1 4 '3D HNCACB' . . . 28131 1 5 '3D CBCA(CO)NH' . . . 28131 1 6 '3D HNCO' . . . 28131 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 ASP H H 1 8.45 0.00 . 1 . . . . . 1 ASP H . 28131 1 2 . 1 . 1 1 1 ASP HA H 1 4.50 0.00 . 1 . . . . . 1 ASP HA . 28131 1 3 . 1 . 1 1 1 ASP HB2 H 1 2.50 0.00 . . . . . . . 1 ASP HB2 . 28131 1 4 . 1 . 1 1 1 ASP HB3 H 1 2.57 0.00 . . . . . . . 1 ASP HB3 . 28131 1 5 . 1 . 1 1 1 ASP C C 13 175.61 0.00 . 1 . . . . . 1 ASP C . 28131 1 6 . 1 . 1 1 1 ASP CA C 13 54.22 0.00 . 1 . . . . . 1 ASP CA . 28131 1 7 . 1 . 1 1 1 ASP CB C 13 40.46 0.00 . 1 . . . . . 1 ASP CB . 28131 1 8 . 1 . 1 1 1 ASP N N 15 123.06 0.00 . 1 . . . . . 1 ASP N . 28131 1 9 . 1 . 1 2 2 ASP H H 1 8.31 0.00 . 1 . . . . . 2 ASP H . 28131 1 10 . 1 . 1 2 2 ASP HA H 1 4.51 0.00 . 1 . . . . . 2 ASP HA . 28131 1 11 . 1 . 1 2 2 ASP HB2 H 1 2.53 0.00 . . . . . . . 2 ASP HB2 . 28131 1 12 . 1 . 1 2 2 ASP HB3 H 1 2.59 0.00 . . . . . . . 2 ASP HB3 . 28131 1 13 . 1 . 1 2 2 ASP C C 13 175.54 0.00 . 1 . . . . . 2 ASP C . 28131 1 14 . 1 . 1 2 2 ASP CA C 13 54.24 0.00 . 1 . . . . . 2 ASP CA . 28131 1 15 . 1 . 1 2 2 ASP CB C 13 40.34 0.00 . 1 . . . . . 2 ASP CB . 28131 1 16 . 1 . 1 2 2 ASP N N 15 120.92 0.00 . 1 . . . . . 2 ASP N . 28131 1 17 . 1 . 1 3 3 ASP H H 1 8.16 0.00 . 1 . . . . . 3 ASP H . 28131 1 18 . 1 . 1 3 3 ASP HA H 1 4.50 0.00 . 1 . . . . . 3 ASP HA . 28131 1 19 . 1 . 1 3 3 ASP HB2 H 1 2.54 0.00 . . . . . . . 3 ASP HB2 . 28131 1 20 . 1 . 1 3 3 ASP HB3 H 1 2.57 0.00 . . . . . . . 3 ASP HB3 . 28131 1 21 . 1 . 1 3 3 ASP C C 13 175.51 0.00 . 1 . . . . . 3 ASP C . 28131 1 22 . 1 . 1 3 3 ASP CA C 13 54.09 0.00 . 1 . . . . . 3 ASP CA . 28131 1 23 . 1 . 1 3 3 ASP CB C 13 40.41 0.00 . 1 . . . . . 3 ASP CB . 28131 1 24 . 1 . 1 3 3 ASP N N 15 120.73 0.00 . 1 . . . . . 3 ASP N . 28131 1 25 . 1 . 1 4 4 ASP H H 1 7.98 0.00 . 1 . . . . . 4 ASP H . 28131 1 26 . 1 . 1 4 4 ASP HA H 1 4.42 0.00 . 1 . . . . . 4 ASP HA . 28131 1 27 . 1 . 1 4 4 ASP HB2 H 1 2.50 0.00 . . . . . . . 4 ASP HB2 . 28131 1 28 . 1 . 1 4 4 ASP C C 13 175.50 0.00 . 1 . . . . . 4 ASP C . 28131 1 29 . 1 . 1 4 4 ASP CA C 13 54.19 0.00 . 1 . . . . . 4 ASP CA . 28131 1 30 . 1 . 1 4 4 ASP CB C 13 40.57 0.00 . 1 . . . . . 4 ASP CB . 28131 1 31 . 1 . 1 4 4 ASP N N 15 120.64 0.00 . 1 . . . . . 4 ASP N . 28131 1 32 . 1 . 1 5 5 LYS H H 1 6.88 0.00 . 1 . . . . . 5 LYS H . 28131 1 33 . 1 . 1 5 5 LYS HA H 1 4.34 0.00 . 1 . . . . . 5 LYS HA . 28131 1 34 . 1 . 1 5 5 LYS HB2 H 1 1.24 0.00 . . . . . . . 5 LYS HB2 . 28131 1 35 . 1 . 1 5 5 LYS HB3 H 1 1.33 0.00 . . . . . . . 5 LYS HB3 . 28131 1 36 . 1 . 1 5 5 LYS HG2 H 1 0.80 0.00 . . . . . . . 5 LYS HG2 . 28131 1 37 . 1 . 1 5 5 LYS HD2 H 1 1.18 0.00 . . . . . . . 5 LYS HD2 . 28131 1 38 . 1 . 1 5 5 LYS C C 13 176.31 0.00 . 1 . . . . . 5 LYS C . 28131 1 39 . 1 . 1 5 5 LYS CA C 13 53.81 0.00 . 1 . . . . . 5 LYS CA . 28131 1 40 . 1 . 1 5 5 LYS CB C 13 32.06 0.00 . 1 . . . . . 5 LYS CB . 28131 1 41 . 1 . 1 5 5 LYS CG C 13 23.83 0.00 . 1 . . . . . 5 LYS CG . 28131 1 42 . 1 . 1 5 5 LYS CD C 13 27.59 0.00 . 1 . . . . . 5 LYS CD . 28131 1 43 . 1 . 1 5 5 LYS CE C 13 41.39 0.00 . 1 . . . . . 5 LYS CE . 28131 1 44 . 1 . 1 5 5 LYS N N 15 120.53 0.00 . 1 . . . . . 5 LYS N . 28131 1 45 . 1 . 1 6 6 THR H H 1 8.90 0.00 . 1 . . . . . 6 THR H . 28131 1 46 . 1 . 1 6 6 THR HA H 1 4.56 0.00 . 1 . . . . . 6 THR HA . 28131 1 47 . 1 . 1 6 6 THR HB H 1 4.23 0.00 . 1 . . . . . 6 THR HB . 28131 1 48 . 1 . 1 6 6 THR C C 13 174.56 0.00 . 1 . . . . . 6 THR C . 28131 1 49 . 1 . 1 6 6 THR CA C 13 61.12 0.00 . 1 . . . . . 6 THR CA . 28131 1 50 . 1 . 1 6 6 THR CB C 13 70.36 0.00 . 1 . . . . . 6 THR CB . 28131 1 51 . 1 . 1 6 6 THR CG2 C 13 21.40 0.00 . 1 . . . . . 6 THR CG2 . 28131 1 52 . 1 . 1 6 6 THR N N 15 116.01 0.00 . 1 . . . . . 6 THR N . 28131 1 53 . 1 . 1 7 7 ASP H H 1 8.74 0.00 . 1 . . . . . 7 ASP H . 28131 1 54 . 1 . 1 7 7 ASP HA H 1 4.07 0.00 . 1 . . . . . 7 ASP HA . 28131 1 55 . 1 . 1 7 7 ASP HB2 H 1 2.58 0.00 . . . . . . . 7 ASP HB2 . 28131 1 56 . 1 . 1 7 7 ASP C C 13 177.89 0.00 . 1 . . . . . 7 ASP C . 28131 1 57 . 1 . 1 7 7 ASP CA C 13 57.04 0.00 . 1 . . . . . 7 ASP CA . 28131 1 58 . 1 . 1 7 7 ASP CB C 13 38.63 0.00 . 1 . . . . . 7 ASP CB . 28131 1 59 . 1 . 1 7 7 ASP N N 15 122.36 0.00 . 1 . . . . . 7 ASP N . 28131 1 60 . 1 . 1 8 8 GLN H H 1 8.33 0.00 . 1 . . . . . 8 GLN H . 28131 1 61 . 1 . 1 8 8 GLN HA H 1 3.82 0.00 . 1 . . . . . 8 GLN HA . 28131 1 62 . 1 . 1 8 8 GLN HB2 H 1 1.88 0.00 . . . . . . . 8 GLN HB2 . 28131 1 63 . 1 . 1 8 8 GLN HB3 H 1 2.14 0.00 . . . . . . . 8 GLN HB3 . 28131 1 64 . 1 . 1 8 8 GLN HG2 H 1 2.35 0.00 . . . . . . . 8 GLN HG2 . 28131 1 65 . 1 . 1 8 8 GLN C C 13 175.64 0.00 . 1 . . . . . 8 GLN C . 28131 1 66 . 1 . 1 8 8 GLN CA C 13 58.35 0.00 . 1 . . . . . 8 GLN CA . 28131 1 67 . 1 . 1 8 8 GLN CB C 13 27.38 0.00 . 1 . . . . . 8 GLN CB . 28131 1 68 . 1 . 1 8 8 GLN CG C 13 33.01 0.00 . 1 . . . . . 8 GLN CG . 28131 1 69 . 1 . 1 8 8 GLN N N 15 118.83 0.00 . 1 . . . . . 8 GLN N . 28131 1 70 . 1 . 1 9 9 GLU H H 1 7.81 0.00 . 1 . . . . . 9 GLU H . 28131 1 71 . 1 . 1 9 9 GLU HA H 1 4.03 0.00 . 1 . . . . . 9 GLU HA . 28131 1 72 . 1 . 1 9 9 GLU HB2 H 1 2.24 0.00 . . . . . . . 9 GLU HB2 . 28131 1 73 . 1 . 1 9 9 GLU C C 13 179.93 0.00 . 1 . . . . . 9 GLU C . 28131 1 74 . 1 . 1 9 9 GLU CA C 13 58.91 0.00 . 1 . . . . . 9 GLU CA . 28131 1 75 . 1 . 1 9 9 GLU CB C 13 28.73 0.00 . 1 . . . . . 9 GLU CB . 28131 1 76 . 1 . 1 9 9 GLU CG C 13 36.86 0.00 . 1 . . . . . 9 GLU CG . 28131 1 77 . 1 . 1 9 9 GLU N N 15 120.39 0.00 . 1 . . . . . 9 GLU N . 28131 1 78 . 1 . 1 10 10 ILE H H 1 7.99 0.00 . 1 . . . . . 10 ILE H . 28131 1 79 . 1 . 1 10 10 ILE HA H 1 3.49 0.00 . 1 . . . . . 10 ILE HA . 28131 1 80 . 1 . 1 10 10 ILE HB H 1 1.95 0.00 . 1 . . . . . 10 ILE HB . 28131 1 81 . 1 . 1 10 10 ILE HG12 H 1 1.38 0.00 . . . . . . . 10 ILE HG12 . 28131 1 82 . 1 . 1 10 10 ILE HG13 H 1 0.99 0.00 . . . . . . . 10 ILE HG13 . 28131 1 83 . 1 . 1 10 10 ILE HG21 H 1 0.69 0.00 . 1 . . . . . 10 ILE MG . 28131 1 84 . 1 . 1 10 10 ILE HG22 H 1 0.69 0.00 . 1 . . . . . 10 ILE MG . 28131 1 85 . 1 . 1 10 10 ILE HG23 H 1 0.69 0.00 . 1 . . . . . 10 ILE MG . 28131 1 86 . 1 . 1 10 10 ILE C C 13 178.69 0.00 . 1 . . . . . 10 ILE C . 28131 1 87 . 1 . 1 10 10 ILE CA C 13 64.97 0.00 . 1 . . . . . 10 ILE CA . 28131 1 88 . 1 . 1 10 10 ILE CB C 13 36.60 0.00 . 1 . . . . . 10 ILE CB . 28131 1 89 . 1 . 1 10 10 ILE CG1 C 13 28.56 0.00 . 1 . . . . . 10 ILE CG1 . 28131 1 90 . 1 . 1 10 10 ILE CD1 C 13 13.79 0.00 . 1 . . . . . 10 ILE CD1 . 28131 1 91 . 1 . 1 10 10 ILE N N 15 120.64 0.00 . 1 . . . . . 10 ILE N . 28131 1 92 . 1 . 1 11 11 MET H H 1 8.74 0.00 . 1 . . . . . 11 MET H . 28131 1 93 . 1 . 1 11 11 MET HA H 1 3.97 0.00 . 1 . . . . . 11 MET HA . 28131 1 94 . 1 . 1 11 11 MET HB2 H 1 2.16 0.00 . . . . . . . 11 MET HB2 . 28131 1 95 . 1 . 1 11 11 MET HB3 H 1 2.53 0.00 . . . . . . . 11 MET HB3 . 28131 1 96 . 1 . 1 11 11 MET HG2 H 1 2.63 0.00 . . . . . . . 11 MET HG2 . 28131 1 97 . 1 . 1 11 11 MET C C 13 179.91 0.00 . 1 . . . . . 11 MET C . 28131 1 98 . 1 . 1 11 11 MET CA C 13 59.75 0.00 . 1 . . . . . 11 MET CA . 28131 1 99 . 1 . 1 11 11 MET CB C 13 31.13 0.00 . 1 . . . . . 11 MET CB . 28131 1 100 . 1 . 1 11 11 MET CG C 13 31.87 0.00 . 1 . . . . . 11 MET CG . 28131 1 101 . 1 . 1 11 11 MET N N 15 123.66 0.00 . 1 . . . . . 11 MET N . 28131 1 102 . 1 . 1 12 12 ASP H H 1 9.06 0.00 . 1 . . . . . 12 ASP H . 28131 1 103 . 1 . 1 12 12 ASP HA H 1 4.35 0.00 . 1 . . . . . 12 ASP HA . 28131 1 104 . 1 . 1 12 12 ASP HB2 H 1 2.63 0.00 . . . . . . . 12 ASP HB2 . 28131 1 105 . 1 . 1 12 12 ASP HB3 H 1 2.69 0.00 . . . . . . . 12 ASP HB3 . 28131 1 106 . 1 . 1 12 12 ASP C C 13 178.39 0.00 . 1 . . . . . 12 ASP C . 28131 1 107 . 1 . 1 12 12 ASP CA C 13 57.12 0.00 . 1 . . . . . 12 ASP CA . 28131 1 108 . 1 . 1 12 12 ASP CB C 13 39.40 0.00 . 1 . . . . . 12 ASP CB . 28131 1 109 . 1 . 1 12 12 ASP N N 15 122.85 0.00 . 1 . . . . . 12 ASP N . 28131 1 110 . 1 . 1 13 13 ALA H H 1 7.75 0.00 . 1 . . . . . 13 ALA H . 28131 1 111 . 1 . 1 13 13 ALA HA H 1 4.16 0.00 . 1 . . . . . 13 ALA HA . 28131 1 112 . 1 . 1 13 13 ALA HB1 H 1 1.51 0.00 . 1 . . . . . 13 ALA MB . 28131 1 113 . 1 . 1 13 13 ALA HB2 H 1 1.51 0.00 . 1 . . . . . 13 ALA MB . 28131 1 114 . 1 . 1 13 13 ALA HB3 H 1 1.51 0.00 . 1 . . . . . 13 ALA MB . 28131 1 115 . 1 . 1 13 13 ALA C C 13 176.56 0.00 . 1 . . . . . 13 ALA C . 28131 1 116 . 1 . 1 13 13 ALA CA C 13 53.38 0.00 . 1 . . . . . 13 ALA CA . 28131 1 117 . 1 . 1 13 13 ALA CB C 13 18.88 0.00 . 1 . . . . . 13 ALA CB . 28131 1 118 . 1 . 1 13 13 ALA N N 15 120.39 0.00 . 1 . . . . . 13 ALA N . 28131 1 119 . 1 . 1 14 14 HIS H H 1 7.48 0.00 . 1 . . . . . 14 HIS H . 28131 1 120 . 1 . 1 14 14 HIS HA H 1 4.36 0.00 . 1 . . . . . 14 HIS HA . 28131 1 121 . 1 . 1 14 14 HIS HB2 H 1 2.52 0.00 . . . . . . . 14 HIS HB2 . 28131 1 122 . 1 . 1 14 14 HIS HB3 H 1 3.45 0.00 . . . . . . . 14 HIS HB3 . 28131 1 123 . 1 . 1 14 14 HIS C C 13 173.74 0.00 . 1 . . . . . 14 HIS C . 28131 1 124 . 1 . 1 14 14 HIS CA C 13 56.76 0.00 . 1 . . . . . 14 HIS CA . 28131 1 125 . 1 . 1 14 14 HIS CB C 13 29.50 0.00 . 1 . . . . . 14 HIS CB . 28131 1 126 . 1 . 1 14 14 HIS N N 15 113.90 0.00 . 1 . . . . . 14 HIS N . 28131 1 127 . 1 . 1 15 15 LYS H H 1 7.13 0.00 . 1 . . . . . 15 LYS H . 28131 1 128 . 1 . 1 15 15 LYS HA H 1 5.17 0.00 . 1 . . . . . 15 LYS HA . 28131 1 129 . 1 . 1 15 15 LYS HB2 H 1 2.00 0.00 . . . . . . . 15 LYS HB2 . 28131 1 130 . 1 . 1 15 15 LYS HB3 H 1 3.10 0.00 . . . . . . . 15 LYS HB3 . 28131 1 131 . 1 . 1 15 15 LYS HG2 H 1 1.74 0.00 . . . . . . . 15 LYS HG2 . 28131 1 132 . 1 . 1 15 15 LYS HD2 H 1 3.46 0.00 . . . . . . . 15 LYS HD2 . 28131 1 133 . 1 . 1 15 15 LYS C C 13 175.61 0.00 . 1 . . . . . 15 LYS C . 28131 1 134 . 1 . 1 15 15 LYS CA C 13 59.39 0.00 . 1 . . . . . 15 LYS CA . 28131 1 135 . 1 . 1 15 15 LYS CB C 13 33.02 0.00 . 1 . . . . . 15 LYS CB . 28131 1 136 . 1 . 1 15 15 LYS CG C 13 25.30 0.00 . 1 . . . . . 15 LYS CG . 28131 1 137 . 1 . 1 15 15 LYS CD C 13 28.87 0.00 . 1 . . . . . 15 LYS CD . 28131 1 138 . 1 . 1 15 15 LYS CE C 13 41.57 0.00 . 1 . . . . . 15 LYS CE . 28131 1 139 . 1 . 1 15 15 LYS N N 15 118.12 0.00 . 1 . . . . . 15 LYS N . 28131 1 140 . 1 . 1 16 16 ILE H H 1 7.95 0.00 . 1 . . . . . 16 ILE H . 28131 1 141 . 1 . 1 16 16 ILE HA H 1 4.35 0.00 . 1 . . . . . 16 ILE HA . 28131 1 142 . 1 . 1 16 16 ILE HB H 1 1.82 0.00 . 1 . . . . . 16 ILE HB . 28131 1 143 . 1 . 1 16 16 ILE HG12 H 1 1.46 0.00 . . . . . . . 16 ILE HG12 . 28131 1 144 . 1 . 1 16 16 ILE HG13 H 1 1.05 0.00 . . . . . . . 16 ILE HG13 . 28131 1 145 . 1 . 1 16 16 ILE HG21 H 1 0.77 0.00 . 1 . . . . . 16 ILE MG . 28131 1 146 . 1 . 1 16 16 ILE HG22 H 1 0.77 0.00 . 1 . . . . . 16 ILE MG . 28131 1 147 . 1 . 1 16 16 ILE HG23 H 1 0.77 0.00 . 1 . . . . . 16 ILE MG . 28131 1 148 . 1 . 1 16 16 ILE C C 13 173.83 0.00 . 1 . . . . . 16 ILE C . 28131 1 149 . 1 . 1 16 16 ILE CA C 13 59.99 0.00 . 1 . . . . . 16 ILE CA . 28131 1 150 . 1 . 1 16 16 ILE CB C 13 36.65 0.00 . 1 . . . . . 16 ILE CB . 28131 1 151 . 1 . 1 16 16 ILE CG1 C 13 26.29 0.00 . 1 . . . . . 16 ILE CG1 . 28131 1 152 . 1 . 1 16 16 ILE CD1 C 13 12.34 0.00 . 1 . . . . . 16 ILE CD1 . 28131 1 153 . 1 . 1 16 16 ILE N N 15 118.47 0.00 . 1 . . . . . 16 ILE N . 28131 1 154 . 1 . 1 17 17 TYR H H 1 7.79 0.00 . 1 . . . . . 17 TYR H . 28131 1 155 . 1 . 1 17 17 TYR HA H 1 5.57 0.00 . 1 . . . . . 17 TYR HA . 28131 1 156 . 1 . 1 17 17 TYR HB2 H 1 2.71 0.00 . . . . . . . 17 TYR HB2 . 28131 1 157 . 1 . 1 17 17 TYR HB3 H 1 2.79 0.00 . . . . . . . 17 TYR HB3 . 28131 1 158 . 1 . 1 17 17 TYR C C 13 173.48 0.00 . 1 . . . . . 17 TYR C . 28131 1 159 . 1 . 1 17 17 TYR CA C 13 54.11 0.00 . 1 . . . . . 17 TYR CA . 28131 1 160 . 1 . 1 17 17 TYR CB C 13 41.25 0.00 . 1 . . . . . 17 TYR CB . 28131 1 161 . 1 . 1 17 17 TYR CG C 13 16.94 0.00 . 1 . . . . . 17 TYR CG . 28131 1 162 . 1 . 1 17 17 TYR N N 15 125.73 0.00 . 1 . . . . . 17 TYR N . 28131 1 163 . 1 . 1 18 18 PHE H H 1 8.73 0.00 . 1 . . . . . 18 PHE H . 28131 1 164 . 1 . 1 18 18 PHE HA H 1 4.58 0.00 . 1 . . . . . 18 PHE HA . 28131 1 165 . 1 . 1 18 18 PHE HB2 H 1 2.87 0.00 . . . . . . . 18 PHE HB2 . 28131 1 166 . 1 . 1 18 18 PHE HB3 H 1 3.03 0.00 . . . . . . . 18 PHE HB3 . 28131 1 167 . 1 . 1 18 18 PHE C C 13 173.66 0.00 . 1 . . . . . 18 PHE C . 28131 1 168 . 1 . 1 18 18 PHE CA C 13 57.78 0.00 . 1 . . . . . 18 PHE CA . 28131 1 169 . 1 . 1 18 18 PHE N N 15 121.41 0.00 . 1 . . . . . 18 PHE N . 28131 1 170 . 1 . 1 19 19 ALA H H 1 8.55 0.00 . 1 . . . . . 19 ALA H . 28131 1 171 . 1 . 1 19 19 ALA HA H 1 4.78 0.00 . 1 . . . . . 19 ALA HA . 28131 1 172 . 1 . 1 19 19 ALA HB1 H 1 1.13 0.00 . 1 . . . . . 19 ALA MB . 28131 1 173 . 1 . 1 19 19 ALA HB2 H 1 1.13 0.00 . 1 . . . . . 19 ALA MB . 28131 1 174 . 1 . 1 19 19 ALA HB3 H 1 1.13 0.00 . 1 . . . . . 19 ALA MB . 28131 1 175 . 1 . 1 19 19 ALA C C 13 174.53 0.00 . 1 . . . . . 19 ALA C . 28131 1 176 . 1 . 1 19 19 ALA CA C 13 51.87 0.00 . 1 . . . . . 19 ALA CA . 28131 1 177 . 1 . 1 19 19 ALA N N 15 132.17 0.00 . 1 . . . . . 19 ALA N . 28131 1 178 . 1 . 1 20 20 ASP H H 1 8.48 0.00 . 1 . . . . . 20 ASP H . 28131 1 179 . 1 . 1 20 20 ASP HA H 1 4.85 0.00 . 1 . . . . . 20 ASP HA . 28131 1 180 . 1 . 1 20 20 ASP HB2 H 1 2.49 0.00 . . . . . . . 20 ASP HB2 . 28131 1 181 . 1 . 1 20 20 ASP HB3 H 1 2.85 0.00 . . . . . . . 20 ASP HB3 . 28131 1 182 . 1 . 1 20 20 ASP C C 13 174.34 0.00 . 1 . . . . . 20 ASP C . 28131 1 183 . 1 . 1 20 20 ASP CA C 13 52.35 0.00 . 1 . . . . . 20 ASP CA . 28131 1 184 . 1 . 1 20 20 ASP CB C 13 40.98 0.00 . 1 . . . . . 20 ASP CB . 28131 1 185 . 1 . 1 20 20 ASP N N 15 124.44 0.00 . 1 . . . . . 20 ASP N . 28131 1 186 . 1 . 1 21 21 LEU H H 1 8.49 0.00 . 1 . . . . . 21 LEU H . 28131 1 187 . 1 . 1 21 21 LEU HA H 1 4.81 0.00 . 1 . . . . . 21 LEU HA . 28131 1 188 . 1 . 1 21 21 LEU HB2 H 1 1.73 0.00 . . . . . . . 21 LEU HB2 . 28131 1 189 . 1 . 1 21 21 LEU HG H 1 1.08 0.00 . 1 . . . . . 21 LEU HG . 28131 1 190 . 1 . 1 21 21 LEU HD11 H 1 0.75 0.00 . . . . . . . 21 LEU MD1 . 28131 1 191 . 1 . 1 21 21 LEU HD12 H 1 0.75 0.00 . . . . . . . 21 LEU MD1 . 28131 1 192 . 1 . 1 21 21 LEU HD13 H 1 0.75 0.00 . . . . . . . 21 LEU MD1 . 28131 1 193 . 1 . 1 21 21 LEU HD21 H 1 0.52 0.00 . . . . . . . 21 LEU MD2 . 28131 1 194 . 1 . 1 21 21 LEU HD22 H 1 0.52 0.00 . . . . . . . 21 LEU MD2 . 28131 1 195 . 1 . 1 21 21 LEU HD23 H 1 0.52 0.00 . . . . . . . 21 LEU MD2 . 28131 1 196 . 1 . 1 21 21 LEU C C 13 175.93 0.00 . 1 . . . . . 21 LEU C . 28131 1 197 . 1 . 1 21 21 LEU CA C 13 53.83 0.00 . 1 . . . . . 21 LEU CA . 28131 1 198 . 1 . 1 21 21 LEU CB C 13 43.16 0.00 . 1 . . . . . 21 LEU CB . 28131 1 199 . 1 . 1 21 21 LEU CG C 13 23.67 0.00 . 1 . . . . . 21 LEU CG . 28131 1 200 . 1 . 1 21 21 LEU CD1 C 13 25.37 0.00 . . . . . . . 21 LEU CD1 . 28131 1 201 . 1 . 1 21 21 LEU CD2 C 13 40.46 0.00 . . . . . . . 21 LEU CD2 . 28131 1 202 . 1 . 1 21 21 LEU N N 15 126.27 0.00 . 1 . . . . . 21 LEU N . 28131 1 203 . 1 . 1 22 22 ASN H H 1 8.89 0.00 . 1 . . . . . 22 ASN H . 28131 1 204 . 1 . 1 22 22 ASN HA H 1 4.92 0.00 . 1 . . . . . 22 ASN HA . 28131 1 205 . 1 . 1 22 22 ASN HB2 H 1 2.59 0.00 . . . . . . . 22 ASN HB2 . 28131 1 206 . 1 . 1 22 22 ASN HB3 H 1 2.63 0.00 . . . . . . . 22 ASN HB3 . 28131 1 207 . 1 . 1 22 22 ASN C C 13 173.05 0.00 . 1 . . . . . 22 ASN C . 28131 1 208 . 1 . 1 22 22 ASN CA C 13 51.38 0.00 . 1 . . . . . 22 ASN CA . 28131 1 209 . 1 . 1 22 22 ASN CB C 13 40.32 0.00 . 1 . . . . . 22 ASN CB . 28131 1 210 . 1 . 1 22 22 ASN N N 15 120.69 0.00 . 1 . . . . . 22 ASN N . 28131 1 211 . 1 . 1 23 23 PHE H H 1 8.70 0.00 . 1 . . . . . 23 PHE H . 28131 1 212 . 1 . 1 23 23 PHE HA H 1 4.89 0.00 . 1 . . . . . 23 PHE HA . 28131 1 213 . 1 . 1 23 23 PHE HB2 H 1 2.86 0.00 . . . . . . . 23 PHE HB2 . 28131 1 214 . 1 . 1 23 23 PHE HB3 H 1 2.94 0.00 . . . . . . . 23 PHE HB3 . 28131 1 215 . 1 . 1 23 23 PHE C C 13 173.29 0.00 . 1 . . . . . 23 PHE C . 28131 1 216 . 1 . 1 23 23 PHE CA C 13 56.11 0.00 . 1 . . . . . 23 PHE CA . 28131 1 217 . 1 . 1 23 23 PHE CB C 13 40.04 0.00 . 1 . . . . . 23 PHE CB . 28131 1 218 . 1 . 1 23 23 PHE N N 15 126.58 0.00 . 1 . . . . . 23 PHE N . 28131 1 219 . 1 . 1 24 24 ASN H H 1 7.97 0.00 . 1 . . . . . 24 ASN H . 28131 1 220 . 1 . 1 24 24 ASN CA C 13 49.12 0.00 . 1 . . . . . 24 ASN CA . 28131 1 221 . 1 . 1 24 24 ASN CB C 13 39.47 0.00 . 1 . . . . . 24 ASN CB . 28131 1 222 . 1 . 1 24 24 ASN N N 15 127.33 0.00 . 1 . . . . . 24 ASN N . 28131 1 223 . 1 . 1 25 25 PRO HA H 1 3.93 0.00 . 1 . . . . . 25 PRO HA . 28131 1 224 . 1 . 1 25 25 PRO HB2 H 1 1.96 0.00 . . . . . . . 25 PRO HB2 . 28131 1 225 . 1 . 1 25 25 PRO HB3 H 1 2.30 0.00 . . . . . . . 25 PRO HB3 . 28131 1 226 . 1 . 1 25 25 PRO HG2 H 1 1.57 0.00 . . . . . . . 25 PRO HG2 . 28131 1 227 . 1 . 1 25 25 PRO CG C 13 26.48 0.00 . 1 . . . . . 25 PRO CG . 28131 1 228 . 1 . 1 25 25 PRO CD C 13 36.92 0.00 . 1 . . . . . 25 PRO CD . 28131 1 229 . 1 . 1 26 26 SER H H 1 7.96 0.00 . 1 . . . . . 26 SER H . 28131 1 230 . 1 . 1 26 26 SER HA H 1 3.89 0.00 . 1 . . . . . 26 SER HA . 28131 1 231 . 1 . 1 26 26 SER C C 13 175.19 0.00 . 1 . . . . . 26 SER C . 28131 1 232 . 1 . 1 26 26 SER CA C 13 60.50 0.00 . 1 . . . . . 26 SER CA . 28131 1 233 . 1 . 1 26 26 SER CB C 13 62.51 0.00 . 1 . . . . . 26 SER CB . 28131 1 234 . 1 . 1 26 26 SER N N 15 113.28 0.00 . 1 . . . . . 26 SER N . 28131 1 235 . 1 . 1 27 27 THR H H 1 7.13 0.00 . 1 . . . . . 27 THR H . 28131 1 236 . 1 . 1 27 27 THR HA H 1 4.23 0.00 . 1 . . . . . 27 THR HA . 28131 1 237 . 1 . 1 27 27 THR HB H 1 2.55 0.00 . 1 . . . . . 27 THR HB . 28131 1 238 . 1 . 1 27 27 THR HG21 H 1 1.11 0.00 . 1 . . . . . 27 THR HG2 . 28131 1 239 . 1 . 1 27 27 THR HG22 H 1 1.11 0.00 . 1 . . . . . 27 THR HG2 . 28131 1 240 . 1 . 1 27 27 THR HG23 H 1 1.11 0.00 . 1 . . . . . 27 THR HG2 . 28131 1 241 . 1 . 1 27 27 THR C C 13 175.41 0.00 . 1 . . . . . 27 THR C . 28131 1 242 . 1 . 1 27 27 THR CA C 13 60.73 0.00 . 1 . . . . . 27 THR CA . 28131 1 243 . 1 . 1 27 27 THR CB C 13 70.34 0.00 . 1 . . . . . 27 THR CB . 28131 1 244 . 1 . 1 27 27 THR CG2 C 13 20.24 0.00 . 1 . . . . . 27 THR CG2 . 28131 1 245 . 1 . 1 27 27 THR N N 15 108.58 0.00 . 1 . . . . . 27 THR N . 28131 1 246 . 1 . 1 28 28 GLY H H 1 8.28 0.00 . 1 . . . . . 28 GLY H . 28131 1 247 . 1 . 1 28 28 GLY HA2 H 1 4.12 0.00 . . . . . . . 28 GLY HA2 . 28131 1 248 . 1 . 1 28 28 GLY HA3 H 1 3.55 0.00 . . . . . . . 28 GLY HA3 . 28131 1 249 . 1 . 1 28 28 GLY C C 13 173.23 0.00 . 1 . . . . . 28 GLY C . 28131 1 250 . 1 . 1 28 28 GLY CA C 13 45.18 0.00 . 1 . . . . . 28 GLY CA . 28131 1 251 . 1 . 1 28 28 GLY N N 15 111.42 0.00 . 1 . . . . . 28 GLY N . 28131 1 252 . 1 . 1 29 29 ASN H H 1 7.43 0.00 . 1 . . . . . 29 ASN H . 28131 1 253 . 1 . 1 29 29 ASN HA H 1 4.72 0.00 . 1 . . . . . 29 ASN HA . 28131 1 254 . 1 . 1 29 29 ASN HB2 H 1 2.18 0.00 . . . . . . . 29 ASN HB2 . 28131 1 255 . 1 . 1 29 29 ASN HB3 H 1 2.30 0.00 . . . . . . . 29 ASN HB3 . 28131 1 256 . 1 . 1 29 29 ASN C C 13 172.92 0.00 . 1 . . . . . 29 ASN C . 28131 1 257 . 1 . 1 29 29 ASN CA C 13 52.27 0.00 . 1 . . . . . 29 ASN CA . 28131 1 258 . 1 . 1 29 29 ASN CB C 13 39.96 0.00 . 1 . . . . . 29 ASN CB . 28131 1 259 . 1 . 1 29 29 ASN N N 15 118.98 0.00 . 1 . . . . . 29 ASN N . 28131 1 260 . 1 . 1 30 30 THR H H 1 8.09 0.00 . 1 . . . . . 30 THR H . 28131 1 261 . 1 . 1 30 30 THR HA H 1 3.78 0.00 . 1 . . . . . 30 THR HA . 28131 1 262 . 1 . 1 30 30 THR HB H 1 3.73 0.00 . 1 . . . . . 30 THR HB . 28131 1 263 . 1 . 1 30 30 THR C C 13 172.24 0.00 . 1 . . . . . 30 THR C . 28131 1 264 . 1 . 1 30 30 THR CA C 13 60.84 0.00 . 1 . . . . . 30 THR CA . 28131 1 265 . 1 . 1 30 30 THR CB C 13 69.72 0.00 . 1 . . . . . 30 THR CB . 28131 1 266 . 1 . 1 30 30 THR CG2 C 13 22.75 0.00 . 1 . . . . . 30 THR CG2 . 28131 1 267 . 1 . 1 30 30 THR N N 15 115.79 0.00 . 1 . . . . . 30 THR N . 28131 1 268 . 1 . 1 31 31 TYR H H 1 8.53 0.00 . 1 . . . . . 31 TYR H . 28131 1 269 . 1 . 1 31 31 TYR HA H 1 5.33 0.00 . 1 . . . . . 31 TYR HA . 28131 1 270 . 1 . 1 31 31 TYR HB2 H 1 2.60 0.00 . . . . . . . 31 TYR HB2 . 28131 1 271 . 1 . 1 31 31 TYR HB3 H 1 3.32 0.00 . . . . . . . 31 TYR HB3 . 28131 1 272 . 1 . 1 31 31 TYR C C 13 173.94 0.00 . 1 . . . . . 31 TYR C . 28131 1 273 . 1 . 1 31 31 TYR CA C 13 54.47 0.00 . 1 . . . . . 31 TYR CA . 28131 1 274 . 1 . 1 31 31 TYR CB C 13 40.73 0.00 . 1 . . . . . 31 TYR CB . 28131 1 275 . 1 . 1 31 31 TYR N N 15 126.59 0.00 . 1 . . . . . 31 TYR N . 28131 1 276 . 1 . 1 32 32 ILE H H 1 8.18 0.00 . 1 . . . . . 32 ILE H . 28131 1 277 . 1 . 1 32 32 ILE HA H 1 5.15 0.00 . 1 . . . . . 32 ILE HA . 28131 1 278 . 1 . 1 32 32 ILE HB H 1 1.74 0.00 . 1 . . . . . 32 ILE HB . 28131 1 279 . 1 . 1 32 32 ILE C C 13 174.82 0.00 . 1 . . . . . 32 ILE C . 28131 1 280 . 1 . 1 32 32 ILE CA C 13 60.93 0.00 . 1 . . . . . 32 ILE CA . 28131 1 281 . 1 . 1 32 32 ILE CG1 C 13 27.58 0.00 . 1 . . . . . 32 ILE CG1 . 28131 1 282 . 1 . 1 32 32 ILE N N 15 119.07 0.00 . 1 . . . . . 32 ILE N . 28131 1 283 . 1 . 1 33 33 ASN H H 1 9.04 0.00 . 1 . . . . . 33 ASN H . 28131 1 284 . 1 . 1 33 33 ASN HA H 1 4.74 0.00 . 1 . . . . . 33 ASN HA . 28131 1 285 . 1 . 1 33 33 ASN HB2 H 1 2.47 0.00 . . . . . . . 33 ASN HB2 . 28131 1 286 . 1 . 1 33 33 ASN HB3 H 1 2.77 0.00 . . . . . . . 33 ASN HB3 . 28131 1 287 . 1 . 1 33 33 ASN C C 13 175.08 0.00 . 1 . . . . . 33 ASN C . 28131 1 288 . 1 . 1 33 33 ASN CA C 13 53.34 0.00 . 1 . . . . . 33 ASN CA . 28131 1 289 . 1 . 1 33 33 ASN CB C 13 38.70 0.00 . 1 . . . . . 33 ASN CB . 28131 1 290 . 1 . 1 33 33 ASN N N 15 126.45 0.00 . 1 . . . . . 33 ASN N . 28131 1 291 . 1 . 1 34 34 GLY H H 1 7.69 0.00 . 1 . . . . . 34 GLY H . 28131 1 292 . 1 . 1 34 34 GLY HA2 H 1 4.08 0.00 . . . . . . . 34 GLY HA2 . 28131 1 293 . 1 . 1 34 34 GLY HA3 H 1 3.98 0.00 . . . . . . . 34 GLY HA3 . 28131 1 294 . 1 . 1 34 34 GLY C C 13 169.96 0.00 . 1 . . . . . 34 GLY C . 28131 1 295 . 1 . 1 34 34 GLY CA C 13 45.78 0.00 . 1 . . . . . 34 GLY CA . 28131 1 296 . 1 . 1 34 34 GLY N N 15 105.31 0.00 . 1 . . . . . 34 GLY N . 28131 1 297 . 1 . 1 35 35 MET H H 1 7.75 0.00 . 1 . . . . . 35 MET H . 28131 1 298 . 1 . 1 35 35 MET HA H 1 5.02 0.00 . 1 . . . . . 35 MET HA . 28131 1 299 . 1 . 1 35 35 MET HB2 H 1 1.11 0.00 . . . . . . . 35 MET HB2 . 28131 1 300 . 1 . 1 35 35 MET HB3 H 1 1.30 0.00 . . . . . . . 35 MET HB3 . 28131 1 301 . 1 . 1 35 35 MET HG2 H 1 1.71 0.00 . . . . . . . 35 MET HG2 . 28131 1 302 . 1 . 1 35 35 MET C C 13 173.12 0.00 . 1 . . . . . 35 MET C . 28131 1 303 . 1 . 1 35 35 MET CA C 13 52.55 0.00 . 1 . . . . . 35 MET CA . 28131 1 304 . 1 . 1 35 35 MET CB C 13 34.38 0.00 . 1 . . . . . 35 MET CB . 28131 1 305 . 1 . 1 35 35 MET CG C 13 30.87 0.00 . 1 . . . . . 35 MET CG . 28131 1 306 . 1 . 1 35 35 MET N N 15 119.32 0.00 . 1 . . . . . 35 MET N . 28131 1 307 . 1 . 1 36 36 TYR H H 1 9.04 0.00 . 1 . . . . . 36 TYR H . 28131 1 308 . 1 . 1 36 36 TYR HA H 1 4.26 0.00 . 1 . . . . . 36 TYR HA . 28131 1 309 . 1 . 1 36 36 TYR HB2 H 1 3.93 0.00 . . . . . . . 36 TYR HB2 . 28131 1 310 . 1 . 1 36 36 TYR HB3 H 1 4.18 0.00 . . . . . . . 36 TYR HB3 . 28131 1 311 . 1 . 1 36 36 TYR C C 13 175.86 0.00 . 1 . . . . . 36 TYR C . 28131 1 312 . 1 . 1 36 36 TYR CA C 13 57.56 0.00 . 1 . . . . . 36 TYR CA . 28131 1 313 . 1 . 1 36 36 TYR CB C 13 41.31 0.00 . 1 . . . . . 36 TYR CB . 28131 1 314 . 1 . 1 36 36 TYR N N 15 122.08 0.00 . 1 . . . . . 36 TYR N . 28131 1 315 . 1 . 1 37 37 PHE H H 1 7.96 0.00 . 1 . . . . . 37 PHE H . 28131 1 316 . 1 . 1 37 37 PHE HA H 1 5.18 0.00 . 1 . . . . . 37 PHE HA . 28131 1 317 . 1 . 1 37 37 PHE HB2 H 1 2.54 0.00 . . . . . . . 37 PHE HB2 . 28131 1 318 . 1 . 1 37 37 PHE HB3 H 1 2.84 0.00 . . . . . . . 37 PHE HB3 . 28131 1 319 . 1 . 1 37 37 PHE C C 13 173.68 0.00 . 1 . . . . . 37 PHE C . 28131 1 320 . 1 . 1 37 37 PHE CA C 13 57.72 0.00 . 1 . . . . . 37 PHE CA . 28131 1 321 . 1 . 1 37 37 PHE CB C 13 40.25 0.00 . 1 . . . . . 37 PHE CB . 28131 1 322 . 1 . 1 37 37 PHE N N 15 118.95 0.00 . 1 . . . . . 37 PHE N . 28131 1 323 . 1 . 1 38 38 ALA H H 1 8.53 0.00 . 1 . . . . . 38 ALA H . 28131 1 324 . 1 . 1 38 38 ALA CA C 13 50.63 0.00 . 1 . . . . . 38 ALA CA . 28131 1 325 . 1 . 1 38 38 ALA CB C 13 17.53 0.00 . 1 . . . . . 38 ALA CB . 28131 1 326 . 1 . 1 38 38 ALA N N 15 128.64 0.00 . 1 . . . . . 38 ALA N . 28131 1 327 . 1 . 1 39 39 PRO HA H 1 4.67 0.00 . 1 . . . . . 39 PRO HA . 28131 1 328 . 1 . 1 39 39 PRO HB2 H 1 1.96 0.00 . . . . . . . 39 PRO HB2 . 28131 1 329 . 1 . 1 39 39 PRO HB3 H 1 2.06 0.00 . . . . . . . 39 PRO HB3 . 28131 1 330 . 1 . 1 39 39 PRO HG2 H 1 1.70 0.00 . . . . . . . 39 PRO HG2 . 28131 1 331 . 1 . 1 39 39 PRO HG3 H 1 3.00 0.00 . . . . . . . 39 PRO HG3 . 28131 1 332 . 1 . 1 39 39 PRO CG C 13 24.17 0.00 . 1 . . . . . 39 PRO CG . 28131 1 333 . 1 . 1 40 40 THR H H 1 8.92 0.00 . 1 . . . . . 40 THR H . 28131 1 334 . 1 . 1 40 40 THR HA H 1 4.54 0.00 . 1 . . . . . 40 THR HA . 28131 1 335 . 1 . 1 40 40 THR C C 13 174.44 0.00 . 1 . . . . . 40 THR C . 28131 1 336 . 1 . 1 40 40 THR CA C 13 58.92 0.00 . 1 . . . . . 40 THR CA . 28131 1 337 . 1 . 1 40 40 THR CB C 13 71.27 0.00 . 1 . . . . . 40 THR CB . 28131 1 338 . 1 . 1 40 40 THR CG2 C 13 20.36 0.00 . 1 . . . . . 40 THR CG2 . 28131 1 339 . 1 . 1 40 40 THR N N 15 117.05 0.00 . 1 . . . . . 40 THR N . 28131 1 340 . 1 . 1 41 41 GLN H H 1 8.64 0.00 . 1 . . . . . 41 GLN H . 28131 1 341 . 1 . 1 41 41 GLN HA H 1 4.16 0.00 . 1 . . . . . 41 GLN HA . 28131 1 342 . 1 . 1 41 41 GLN HB2 H 1 2.12 0.00 . . . . . . . 41 GLN HB2 . 28131 1 343 . 1 . 1 41 41 GLN HB3 H 1 2.34 0.00 . . . . . . . 41 GLN HB3 . 28131 1 344 . 1 . 1 41 41 GLN HG2 H 1 2.45 0.00 . . . . . . . 41 GLN HG2 . 28131 1 345 . 1 . 1 41 41 GLN C C 13 177.40 0.00 . 1 . . . . . 41 GLN C . 28131 1 346 . 1 . 1 41 41 GLN CA C 13 57.80 0.00 . 1 . . . . . 41 GLN CA . 28131 1 347 . 1 . 1 41 41 GLN CB C 13 28.10 0.00 . 1 . . . . . 41 GLN CB . 28131 1 348 . 1 . 1 41 41 GLN CG C 13 33.79 0.00 . 1 . . . . . 41 GLN CG . 28131 1 349 . 1 . 1 41 41 GLN N N 15 117.36 0.00 . 1 . . . . . 41 GLN N . 28131 1 350 . 1 . 1 42 42 THR H H 1 7.85 0.00 . 1 . . . . . 42 THR H . 28131 1 351 . 1 . 1 42 42 THR HA H 1 4.43 0.00 . 1 . . . . . 42 THR HA . 28131 1 352 . 1 . 1 42 42 THR HB H 1 4.34 0.00 . 1 . . . . . 42 THR HB . 28131 1 353 . 1 . 1 42 42 THR HG21 H 1 1.10 0.00 . 1 . . . . . 42 THR HG2 . 28131 1 354 . 1 . 1 42 42 THR HG22 H 1 1.10 0.00 . 1 . . . . . 42 THR HG2 . 28131 1 355 . 1 . 1 42 42 THR HG23 H 1 1.10 0.00 . 1 . . . . . 42 THR HG2 . 28131 1 356 . 1 . 1 42 42 THR C C 13 175.64 0.00 . 1 . . . . . 42 THR C . 28131 1 357 . 1 . 1 42 42 THR CA C 13 61.47 0.00 . 1 . . . . . 42 THR CA . 28131 1 358 . 1 . 1 42 42 THR CB C 13 69.71 0.00 . 1 . . . . . 42 THR CB . 28131 1 359 . 1 . 1 42 42 THR CG2 C 13 20.56 0.00 . 1 . . . . . 42 THR CG2 . 28131 1 360 . 1 . 1 42 42 THR N N 15 106.07 0.00 . 1 . . . . . 42 THR N . 28131 1 361 . 1 . 1 43 43 ASN H H 1 7.41 0.00 . 1 . . . . . 43 ASN H . 28131 1 362 . 1 . 1 43 43 ASN HA H 1 4.82 0.00 . 1 . . . . . 43 ASN HA . 28131 1 363 . 1 . 1 43 43 ASN HB2 H 1 3.20 0.00 . . . . . . . 43 ASN HB2 . 28131 1 364 . 1 . 1 43 43 ASN HB3 H 1 2.76 0.00 . . . . . . . 43 ASN HB3 . 28131 1 365 . 1 . 1 43 43 ASN C C 13 176.05 0.00 . 1 . . . . . 43 ASN C . 28131 1 366 . 1 . 1 43 43 ASN CA C 13 52.20 0.00 . 1 . . . . . 43 ASN CA . 28131 1 367 . 1 . 1 43 43 ASN CB C 13 38.50 0.00 . 1 . . . . . 43 ASN CB . 28131 1 368 . 1 . 1 43 43 ASN N N 15 120.80 0.00 . 1 . . . . . 43 ASN N . 28131 1 369 . 1 . 1 44 44 LYS H H 1 7.79 0.00 . 1 . . . . . 44 LYS H . 28131 1 370 . 1 . 1 44 44 LYS HA H 1 3.82 0.00 . 1 . . . . . 44 LYS HA . 28131 1 371 . 1 . 1 44 44 LYS HB2 H 1 1.71 0.00 . . . . . . . 44 LYS HB2 . 28131 1 372 . 1 . 1 44 44 LYS HB3 H 1 2.01 0.00 . . . . . . . 44 LYS HB3 . 28131 1 373 . 1 . 1 44 44 LYS HG2 H 1 1.36 0.00 . . . . . . . 44 LYS HG2 . 28131 1 374 . 1 . 1 44 44 LYS HD2 H 1 1.64 0.00 . . . . . . . 44 LYS HD2 . 28131 1 375 . 1 . 1 44 44 LYS HE2 H 1 3.00 0.00 . . . . . . . 44 LYS HE2 . 28131 1 376 . 1 . 1 44 44 LYS C C 13 177.87 0.00 . 1 . . . . . 44 LYS C . 28131 1 377 . 1 . 1 44 44 LYS CA C 13 60.35 0.00 . 1 . . . . . 44 LYS CA . 28131 1 378 . 1 . 1 44 44 LYS CB C 13 31.79 0.00 . 1 . . . . . 44 LYS CB . 28131 1 379 . 1 . 1 44 44 LYS CG C 13 24.04 0.00 . 1 . . . . . 44 LYS CG . 28131 1 380 . 1 . 1 44 44 LYS CD C 13 28.45 0.00 . 1 . . . . . 44 LYS CD . 28131 1 381 . 1 . 1 44 44 LYS CE C 13 41.75 0.00 . 1 . . . . . 44 LYS CE . 28131 1 382 . 1 . 1 44 44 LYS N N 15 122.50 0.00 . 1 . . . . . 44 LYS N . 28131 1 383 . 1 . 1 45 45 GLU H H 1 8.52 0.00 . 1 . . . . . 45 GLU H . 28131 1 384 . 1 . 1 45 45 GLU HA H 1 4.01 0.00 . 1 . . . . . 45 GLU HA . 28131 1 385 . 1 . 1 45 45 GLU HB2 H 1 1.81 0.00 . . . . . . . 45 GLU HB2 . 28131 1 386 . 1 . 1 45 45 GLU HB3 H 1 1.95 0.00 . . . . . . . 45 GLU HB3 . 28131 1 387 . 1 . 1 45 45 GLU HG2 H 1 2.59 0.00 . . . . . . . 45 GLU HG2 . 28131 1 388 . 1 . 1 45 45 GLU HG3 H 1 2.30 0.00 . . . . . . . 45 GLU HG3 . 28131 1 389 . 1 . 1 45 45 GLU C C 13 179.12 0.00 . 1 . . . . . 45 GLU C . 28131 1 390 . 1 . 1 45 45 GLU CA C 13 59.41 0.00 . 1 . . . . . 45 GLU CA . 28131 1 391 . 1 . 1 45 45 GLU CB C 13 28.06 0.00 . 1 . . . . . 45 GLU CB . 28131 1 392 . 1 . 1 45 45 GLU CG C 13 36.57 0.00 . 1 . . . . . 45 GLU CG . 28131 1 393 . 1 . 1 45 45 GLU N N 15 116.59 0.00 . 1 . . . . . 45 GLU N . 28131 1 394 . 1 . 1 46 46 ALA H H 1 8.00 0.00 . 1 . . . . . 46 ALA H . 28131 1 395 . 1 . 1 46 46 ALA HA H 1 3.87 0.00 . 1 . . . . . 46 ALA HA . 28131 1 396 . 1 . 1 46 46 ALA HB1 H 1 1.22 0.00 . 1 . . . . . 46 ALA MB . 28131 1 397 . 1 . 1 46 46 ALA HB2 H 1 1.22 0.00 . 1 . . . . . 46 ALA MB . 28131 1 398 . 1 . 1 46 46 ALA HB3 H 1 1.22 0.00 . 1 . . . . . 46 ALA MB . 28131 1 399 . 1 . 1 46 46 ALA C C 13 177.96 0.00 . 1 . . . . . 46 ALA C . 28131 1 400 . 1 . 1 46 46 ALA CA C 13 54.57 0.00 . 1 . . . . . 46 ALA CA . 28131 1 401 . 1 . 1 46 46 ALA CB C 13 18.27 0.00 . 1 . . . . . 46 ALA CB . 28131 1 402 . 1 . 1 46 46 ALA N N 15 122.65 0.00 . 1 . . . . . 46 ALA N . 28131 1 403 . 1 . 1 47 47 LEU H H 1 7.95 0.00 . 1 . . . . . 47 LEU H . 28131 1 404 . 1 . 1 47 47 LEU HA H 1 3.93 0.00 . 1 . . . . . 47 LEU HA . 28131 1 405 . 1 . 1 47 47 LEU HB2 H 1 1.88 0.00 . . . . . . . 47 LEU HB2 . 28131 1 406 . 1 . 1 47 47 LEU HG H 1 1.12 0.00 . 1 . . . . . 47 LEU HG . 28131 1 407 . 1 . 1 47 47 LEU HD11 H 1 0.57 0.00 . . . . . . . 47 LEU MD1 . 28131 1 408 . 1 . 1 47 47 LEU HD12 H 1 0.57 0.00 . . . . . . . 47 LEU MD1 . 28131 1 409 . 1 . 1 47 47 LEU HD13 H 1 0.57 0.00 . . . . . . . 47 LEU MD1 . 28131 1 410 . 1 . 1 47 47 LEU C C 13 180.58 0.00 . 1 . . . . . 47 LEU C . 28131 1 411 . 1 . 1 47 47 LEU CA C 13 57.28 0.00 . 1 . . . . . 47 LEU CA . 28131 1 412 . 1 . 1 47 47 LEU CB C 13 39.90 0.00 . 1 . . . . . 47 LEU CB . 28131 1 413 . 1 . 1 47 47 LEU CG C 13 25.91 0.00 . 1 . . . . . 47 LEU CG . 28131 1 414 . 1 . 1 47 47 LEU CD1 C 13 20.62 0.00 . . . . . . . 47 LEU CD1 . 28131 1 415 . 1 . 1 47 47 LEU N N 15 115.68 0.00 . 1 . . . . . 47 LEU N . 28131 1 416 . 1 . 1 48 48 ASP H H 1 8.51 0.00 . 1 . . . . . 48 ASP H . 28131 1 417 . 1 . 1 48 48 ASP HA H 1 4.19 0.00 . 1 . . . . . 48 ASP HA . 28131 1 418 . 1 . 1 48 48 ASP HB2 H 1 2.62 0.00 . . . . . . . 48 ASP HB2 . 28131 1 419 . 1 . 1 48 48 ASP HB3 H 1 2.73 0.00 . . . . . . . 48 ASP HB3 . 28131 1 420 . 1 . 1 48 48 ASP C C 13 176.13 0.00 . 1 . . . . . 48 ASP C . 28131 1 421 . 1 . 1 48 48 ASP CA C 13 56.09 0.00 . 1 . . . . . 48 ASP CA . 28131 1 422 . 1 . 1 48 48 ASP CB C 13 39.88 0.00 . 1 . . . . . 48 ASP CB . 28131 1 423 . 1 . 1 48 48 ASP N N 15 120.18 0.00 . 1 . . . . . 48 ASP N . 28131 1 424 . 1 . 1 49 49 TYR H H 1 7.31 0.00 . 1 . . . . . 49 TYR H . 28131 1 425 . 1 . 1 49 49 TYR HA H 1 4.23 0.00 . 1 . . . . . 49 TYR HA . 28131 1 426 . 1 . 1 49 49 TYR HB2 H 1 3.13 0.00 . . . . . . . 49 TYR HB2 . 28131 1 427 . 1 . 1 49 49 TYR HB3 H 1 3.21 0.00 . . . . . . . 49 TYR HB3 . 28131 1 428 . 1 . 1 49 49 TYR C C 13 175.05 0.00 . 1 . . . . . 49 TYR C . 28131 1 429 . 1 . 1 49 49 TYR CA C 13 58.52 0.00 . 1 . . . . . 49 TYR CA . 28131 1 430 . 1 . 1 49 49 TYR CB C 13 39.37 0.00 . 1 . . . . . 49 TYR CB . 28131 1 431 . 1 . 1 49 49 TYR N N 15 118.93 0.00 . 1 . . . . . 49 TYR N . 28131 1 432 . 1 . 1 50 50 ILE H H 1 6.82 0.00 . 1 . . . . . 50 ILE H . 28131 1 433 . 1 . 1 50 50 ILE HA H 1 3.78 0.00 . 1 . . . . . 50 ILE HA . 28131 1 434 . 1 . 1 50 50 ILE HB H 1 2.06 0.00 . 1 . . . . . 50 ILE HB . 28131 1 435 . 1 . 1 50 50 ILE HG21 H 1 0.42 0.00 . 1 . . . . . 50 ILE MG . 28131 1 436 . 1 . 1 50 50 ILE HG22 H 1 0.42 0.00 . 1 . . . . . 50 ILE MG . 28131 1 437 . 1 . 1 50 50 ILE HG23 H 1 0.42 0.00 . 1 . . . . . 50 ILE MG . 28131 1 438 . 1 . 1 50 50 ILE C C 13 174.96 0.00 . 1 . . . . . 50 ILE C . 28131 1 439 . 1 . 1 50 50 ILE CA C 13 57.48 0.00 . 1 . . . . . 50 ILE CA . 28131 1 440 . 1 . 1 50 50 ILE CB C 13 36.16 0.00 . 1 . . . . . 50 ILE CB . 28131 1 441 . 1 . 1 50 50 ILE CG1 C 13 25.84 0.00 . 1 . . . . . 50 ILE CG1 . 28131 1 442 . 1 . 1 50 50 ILE CD1 C 13 17.86 0.00 . 1 . . . . . 50 ILE CD1 . 28131 1 443 . 1 . 1 50 50 ILE N N 15 115.42 0.00 . 1 . . . . . 50 ILE N . 28131 1 444 . 1 . 1 51 51 GLN H H 1 9.22 0.00 . 1 . . . . . 51 GLN H . 28131 1 445 . 1 . 1 51 51 GLN HA H 1 4.32 0.00 . 1 . . . . . 51 GLN HA . 28131 1 446 . 1 . 1 51 51 GLN HB2 H 1 1.81 0.00 . . . . . . . 51 GLN HB2 . 28131 1 447 . 1 . 1 51 51 GLN HB3 H 1 2.23 0.00 . . . . . . . 51 GLN HB3 . 28131 1 448 . 1 . 1 51 51 GLN HG2 H 1 2.31 0.00 . . . . . . . 51 GLN HG2 . 28131 1 449 . 1 . 1 51 51 GLN C C 13 174.95 0.00 . 1 . . . . . 51 GLN C . 28131 1 450 . 1 . 1 51 51 GLN CA C 13 54.72 0.00 . 1 . . . . . 51 GLN CA . 28131 1 451 . 1 . 1 51 51 GLN CB C 13 29.80 0.00 . 1 . . . . . 51 GLN CB . 28131 1 452 . 1 . 1 51 51 GLN CG C 13 32.69 0.00 . 1 . . . . . 51 GLN CG . 28131 1 453 . 1 . 1 51 51 GLN N N 15 124.53 0.00 . 1 . . . . . 51 GLN N . 28131 1 454 . 1 . 1 52 52 LYS H H 1 7.25 0.00 . 1 . . . . . 52 LYS H . 28131 1 455 . 1 . 1 52 52 LYS HA H 1 4.94 0.00 . 1 . . . . . 52 LYS HA . 28131 1 456 . 1 . 1 52 52 LYS HB2 H 1 1.38 0.00 . . . . . . . 52 LYS HB2 . 28131 1 457 . 1 . 1 52 52 LYS HB3 H 1 1.52 0.00 . . . . . . . 52 LYS HB3 . 28131 1 458 . 1 . 1 52 52 LYS HG2 H 1 1.07 0.00 . . . . . . . 52 LYS HG2 . 28131 1 459 . 1 . 1 52 52 LYS HD2 H 1 2.70 0.00 . . . . . . . 52 LYS HD2 . 28131 1 460 . 1 . 1 52 52 LYS HE2 H 1 3.93 0.00 . . . . . . . 52 LYS HE2 . 28131 1 461 . 1 . 1 52 52 LYS C C 13 172.04 0.00 . 1 . . . . . 52 LYS C . 28131 1 462 . 1 . 1 52 52 LYS CA C 13 54.71 0.00 . 1 . . . . . 52 LYS CA . 28131 1 463 . 1 . 1 52 52 LYS CB C 13 36.60 0.00 . 1 . . . . . 52 LYS CB . 28131 1 464 . 1 . 1 52 52 LYS CG C 13 23.89 0.00 . 1 . . . . . 52 LYS CG . 28131 1 465 . 1 . 1 52 52 LYS CD C 13 29.23 0.00 . 1 . . . . . 52 LYS CD . 28131 1 466 . 1 . 1 52 52 LYS CE C 13 41.67 0.00 . 1 . . . . . 52 LYS CE . 28131 1 467 . 1 . 1 52 52 LYS N N 15 117.19 0.00 . 1 . . . . . 52 LYS N . 28131 1 468 . 1 . 1 53 53 TYR H H 1 7.89 0.00 . 1 . . . . . 53 TYR H . 28131 1 469 . 1 . 1 53 53 TYR HA H 1 5.61 0.00 . 1 . . . . . 53 TYR HA . 28131 1 470 . 1 . 1 53 53 TYR HB2 H 1 2.64 0.00 . . . . . . . 53 TYR HB2 . 28131 1 471 . 1 . 1 53 53 TYR C C 13 176.74 0.00 . 1 . . . . . 53 TYR C . 28131 1 472 . 1 . 1 53 53 TYR CA C 13 56.44 0.00 . 1 . . . . . 53 TYR CA . 28131 1 473 . 1 . 1 53 53 TYR CB C 13 41.23 0.00 . 1 . . . . . 53 TYR CB . 28131 1 474 . 1 . 1 53 53 TYR N N 15 113.46 0.00 . 1 . . . . . 53 TYR N . 28131 1 475 . 1 . 1 54 54 ARG H H 1 9.69 0.00 . 1 . . . . . 54 ARG H . 28131 1 476 . 1 . 1 54 54 ARG HA H 1 5.68 0.00 . 1 . . . . . 54 ARG HA . 28131 1 477 . 1 . 1 54 54 ARG HB2 H 1 1.67 0.00 . . . . . . . 54 ARG HB2 . 28131 1 478 . 1 . 1 54 54 ARG HB3 H 1 1.74 0.00 . . . . . . . 54 ARG HB3 . 28131 1 479 . 1 . 1 54 54 ARG HG2 H 1 1.18 0.00 . . . . . . . 54 ARG HG2 . 28131 1 480 . 1 . 1 54 54 ARG C C 13 174.30 0.00 . 1 . . . . . 54 ARG C . 28131 1 481 . 1 . 1 54 54 ARG CA C 13 54.46 0.00 . 1 . . . . . 54 ARG CA . 28131 1 482 . 1 . 1 54 54 ARG CB C 13 32.64 0.00 . 1 . . . . . 54 ARG CB . 28131 1 483 . 1 . 1 54 54 ARG CG C 13 27.44 0.00 . 1 . . . . . 54 ARG CG . 28131 1 484 . 1 . 1 54 54 ARG CD C 13 42.78 0.00 . 1 . . . . . 54 ARG CD . 28131 1 485 . 1 . 1 54 54 ARG N N 15 132.43 0.00 . 1 . . . . . 54 ARG N . 28131 1 486 . 1 . 1 55 55 VAL H H 1 8.35 0.00 . 1 . . . . . 55 VAL H . 28131 1 487 . 1 . 1 55 55 VAL HA H 1 5.01 0.00 . 1 . . . . . 55 VAL HA . 28131 1 488 . 1 . 1 55 55 VAL HB H 1 1.15 0.00 . 1 . . . . . 55 VAL HB . 28131 1 489 . 1 . 1 55 55 VAL HG11 H 1 0.46 0.00 . . . . . . . 55 VAL MG1 . 28131 1 490 . 1 . 1 55 55 VAL HG12 H 1 0.46 0.00 . . . . . . . 55 VAL MG1 . 28131 1 491 . 1 . 1 55 55 VAL HG13 H 1 0.46 0.00 . . . . . . . 55 VAL MG1 . 28131 1 492 . 1 . 1 55 55 VAL HG21 H 1 0.33 0.00 . . . . . . . 55 VAL MG2 . 28131 1 493 . 1 . 1 55 55 VAL HG22 H 1 0.33 0.00 . . . . . . . 55 VAL MG2 . 28131 1 494 . 1 . 1 55 55 VAL HG23 H 1 0.33 0.00 . . . . . . . 55 VAL MG2 . 28131 1 495 . 1 . 1 55 55 VAL C C 13 173.54 0.00 . 1 . . . . . 55 VAL C . 28131 1 496 . 1 . 1 55 55 VAL CA C 13 60.24 0.00 . 1 . . . . . 55 VAL CA . 28131 1 497 . 1 . 1 55 55 VAL CB C 13 34.58 0.00 . 1 . . . . . 55 VAL CB . 28131 1 498 . 1 . 1 55 55 VAL CG1 C 13 20.56 0.00 . . . . . . . 55 VAL CG1 . 28131 1 499 . 1 . 1 55 55 VAL N N 15 126.36 0.00 . 1 . . . . . 55 VAL N . 28131 1 500 . 1 . 1 56 56 GLU H H 1 8.87 0.00 . 1 . . . . . 56 GLU H . 28131 1 501 . 1 . 1 56 56 GLU HA H 1 4.86 0.00 . 1 . . . . . 56 GLU HA . 28131 1 502 . 1 . 1 56 56 GLU HB2 H 1 1.11 0.00 . . . . . . . 56 GLU HB2 . 28131 1 503 . 1 . 1 56 56 GLU HB3 H 1 1.79 0.00 . . . . . . . 56 GLU HB3 . 28131 1 504 . 1 . 1 56 56 GLU HG2 H 1 2.06 0.00 . . . . . . . 56 GLU HG2 . 28131 1 505 . 1 . 1 56 56 GLU HG3 H 1 1.90 0.00 . . . . . . . 56 GLU HG3 . 28131 1 506 . 1 . 1 56 56 GLU C C 13 173.99 0.00 . 1 . . . . . 56 GLU C . 28131 1 507 . 1 . 1 56 56 GLU CA C 13 53.44 0.00 . 1 . . . . . 56 GLU CA . 28131 1 508 . 1 . 1 56 56 GLU CB C 13 31.76 0.00 . 1 . . . . . 56 GLU CB . 28131 1 509 . 1 . 1 56 56 GLU CG C 13 35.56 0.00 . 1 . . . . . 56 GLU CG . 28131 1 510 . 1 . 1 56 56 GLU N N 15 125.15 0.00 . 1 . . . . . 56 GLU N . 28131 1 511 . 1 . 1 57 57 ALA H H 1 8.49 0.00 . 1 . . . . . 57 ALA H . 28131 1 512 . 1 . 1 57 57 ALA HA H 1 5.04 0.00 . 1 . . . . . 57 ALA HA . 28131 1 513 . 1 . 1 57 57 ALA HB1 H 1 1.08 0.00 . 1 . . . . . 57 ALA MB . 28131 1 514 . 1 . 1 57 57 ALA HB2 H 1 1.08 0.00 . 1 . . . . . 57 ALA MB . 28131 1 515 . 1 . 1 57 57 ALA HB3 H 1 1.08 0.00 . 1 . . . . . 57 ALA MB . 28131 1 516 . 1 . 1 57 57 ALA C C 13 173.93 0.00 . 1 . . . . . 57 ALA C . 28131 1 517 . 1 . 1 57 57 ALA CA C 13 49.61 0.00 . 1 . . . . . 57 ALA CA . 28131 1 518 . 1 . 1 57 57 ALA CB C 13 23.62 0.00 . 1 . . . . . 57 ALA CB . 28131 1 519 . 1 . 1 57 57 ALA N N 15 124.69 0.00 . 1 . . . . . 57 ALA N . 28131 1 520 . 1 . 1 58 58 THR H H 1 8.83 0.00 . 1 . . . . . 58 THR H . 28131 1 521 . 1 . 1 58 58 THR HA H 1 4.14 0.00 . 1 . . . . . 58 THR HA . 28131 1 522 . 1 . 1 58 58 THR HB H 1 4.10 0.00 . 1 . . . . . 58 THR HB . 28131 1 523 . 1 . 1 58 58 THR HG21 H 1 0.98 0.00 . 1 . . . . . 58 THR HG2 . 28131 1 524 . 1 . 1 58 58 THR HG22 H 1 0.98 0.00 . 1 . . . . . 58 THR HG2 . 28131 1 525 . 1 . 1 58 58 THR HG23 H 1 0.98 0.00 . 1 . . . . . 58 THR HG2 . 28131 1 526 . 1 . 1 58 58 THR C C 13 172.32 0.00 . 1 . . . . . 58 THR C . 28131 1 527 . 1 . 1 58 58 THR CA C 13 63.11 0.00 . 1 . . . . . 58 THR CA . 28131 1 528 . 1 . 1 58 58 THR CG2 C 13 20.21 0.00 . 1 . . . . . 58 THR CG2 . 28131 1 529 . 1 . 1 58 58 THR N N 15 117.14 0.00 . 1 . . . . . 58 THR N . 28131 1 530 . 1 . 1 59 59 LEU H H 1 8.09 0.00 . 1 . . . . . 59 LEU H . 28131 1 531 . 1 . 1 59 59 LEU HA H 1 4.51 0.00 . 1 . . . . . 59 LEU HA . 28131 1 532 . 1 . 1 59 59 LEU HB2 H 1 2.98 0.00 . . . . . . . 59 LEU HB2 . 28131 1 533 . 1 . 1 59 59 LEU HG H 1 2.91 0.00 . 1 . . . . . 59 LEU HG . 28131 1 534 . 1 . 1 59 59 LEU HD11 H 1 1.93 0.00 . . . . . . . 59 LEU MD1 . 28131 1 535 . 1 . 1 59 59 LEU HD12 H 1 1.93 0.00 . . . . . . . 59 LEU MD1 . 28131 1 536 . 1 . 1 59 59 LEU HD13 H 1 1.93 0.00 . . . . . . . 59 LEU MD1 . 28131 1 537 . 1 . 1 59 59 LEU HD21 H 1 1.71 0.00 . . . . . . . 59 LEU MD2 . 28131 1 538 . 1 . 1 59 59 LEU HD22 H 1 1.71 0.00 . . . . . . . 59 LEU MD2 . 28131 1 539 . 1 . 1 59 59 LEU HD23 H 1 1.71 0.00 . . . . . . . 59 LEU MD2 . 28131 1 540 . 1 . 1 59 59 LEU C C 13 179.03 0.00 . 1 . . . . . 59 LEU C . 28131 1 541 . 1 . 1 59 59 LEU CA C 13 53.18 0.00 . 1 . . . . . 59 LEU CA . 28131 1 542 . 1 . 1 59 59 LEU CB C 13 40.73 0.00 . 1 . . . . . 59 LEU CB . 28131 1 543 . 1 . 1 59 59 LEU CG C 13 26.42 0.00 . 1 . . . . . 59 LEU CG . 28131 1 544 . 1 . 1 59 59 LEU CD1 C 13 22.82 0.00 . . . . . . . 59 LEU CD1 . 28131 1 545 . 1 . 1 59 59 LEU N N 15 130.61 0.00 . 1 . . . . . 59 LEU N . 28131 1 546 . 1 . 1 60 60 GLN H H 1 8.34 0.00 . 1 . . . . . 60 GLN H . 28131 1 547 . 1 . 1 60 60 GLN HA H 1 3.80 0.00 . 1 . . . . . 60 GLN HA . 28131 1 548 . 1 . 1 60 60 GLN HB2 H 1 1.17 0.00 . . . . . . . 60 GLN HB2 . 28131 1 549 . 1 . 1 60 60 GLN HB3 H 1 1.54 0.00 . . . . . . . 60 GLN HB3 . 28131 1 550 . 1 . 1 60 60 GLN HG2 H 1 1.91 0.00 . . . . . . . 60 GLN HG2 . 28131 1 551 . 1 . 1 60 60 GLN C C 13 174.52 0.00 . 1 . . . . . 60 GLN C . 28131 1 552 . 1 . 1 60 60 GLN CA C 13 59.20 0.00 . 1 . . . . . 60 GLN CA . 28131 1 553 . 1 . 1 60 60 GLN CB C 13 28.87 0.00 . 1 . . . . . 60 GLN CB . 28131 1 554 . 1 . 1 60 60 GLN CG C 13 31.39 0.00 . 1 . . . . . 60 GLN CG . 28131 1 555 . 1 . 1 60 60 GLN N N 15 121.92 0.00 . 1 . . . . . 60 GLN N . 28131 1 556 . 1 . 1 61 61 TYR H H 1 8.53 0.00 . 1 . . . . . 61 TYR H . 28131 1 557 . 1 . 1 61 61 TYR HA H 1 4.87 0.00 . 1 . . . . . 61 TYR HA . 28131 1 558 . 1 . 1 61 61 TYR HB2 H 1 2.70 0.00 . . . . . . . 61 TYR HB2 . 28131 1 559 . 1 . 1 61 61 TYR HB3 H 1 3.05 0.00 . . . . . . . 61 TYR HB3 . 28131 1 560 . 1 . 1 61 61 TYR C C 13 178.89 0.00 . 1 . . . . . 61 TYR C . 28131 1 561 . 1 . 1 61 61 TYR CA C 13 57.86 0.00 . 1 . . . . . 61 TYR CA . 28131 1 562 . 1 . 1 61 61 TYR CB C 13 38.51 0.00 . 1 . . . . . 61 TYR CB . 28131 1 563 . 1 . 1 61 61 TYR N N 15 114.83 0.00 . 1 . . . . . 61 TYR N . 28131 1 564 . 1 . 1 62 62 SER H H 1 10.54 0.00 . 1 . . . . . 62 SER H . 28131 1 565 . 1 . 1 62 62 SER HA H 1 3.82 0.00 . 1 . . . . . 62 SER HA . 28131 1 566 . 1 . 1 62 62 SER C C 13 173.74 0.00 . 1 . . . . . 62 SER C . 28131 1 567 . 1 . 1 62 62 SER CA C 13 60.41 0.00 . 1 . . . . . 62 SER CA . 28131 1 568 . 1 . 1 62 62 SER CB C 13 62.55 0.00 . 1 . . . . . 62 SER CB . 28131 1 569 . 1 . 1 62 62 SER N N 15 118.84 0.00 . 1 . . . . . 62 SER N . 28131 1 570 . 1 . 1 63 63 GLY H H 1 7.54 0.00 . 1 . . . . . 63 GLY H . 28131 1 571 . 1 . 1 63 63 GLY HA2 H 1 4.19 0.00 . . . . . . . 63 GLY HA2 . 28131 1 572 . 1 . 1 63 63 GLY HA3 H 1 3.77 0.00 . . . . . . . 63 GLY HA3 . 28131 1 573 . 1 . 1 63 63 GLY C C 13 172.87 0.00 . 1 . . . . . 63 GLY C . 28131 1 574 . 1 . 1 63 63 GLY CA C 13 44.66 0.00 . 1 . . . . . 63 GLY CA . 28131 1 575 . 1 . 1 63 63 GLY N N 15 109.66 0.00 . 1 . . . . . 63 GLY N . 28131 1 576 . 1 . 1 64 64 PHE H H 1 8.61 0.00 . 1 . . . . . 64 PHE H . 28131 1 577 . 1 . 1 64 64 PHE HA H 1 4.99 0.00 . 1 . . . . . 64 PHE HA . 28131 1 578 . 1 . 1 64 64 PHE HB2 H 1 2.95 0.00 . . . . . . . 64 PHE HB2 . 28131 1 579 . 1 . 1 64 64 PHE HB3 H 1 3.45 0.00 . . . . . . . 64 PHE HB3 . 28131 1 580 . 1 . 1 64 64 PHE C C 13 175.42 0.00 . 1 . . . . . 64 PHE C . 28131 1 581 . 1 . 1 64 64 PHE CA C 13 57.91 0.00 . 1 . . . . . 64 PHE CA . 28131 1 582 . 1 . 1 64 64 PHE CB C 13 38.36 0.00 . 1 . . . . . 64 PHE CB . 28131 1 583 . 1 . 1 64 64 PHE N N 15 122.79 0.00 . 1 . . . . . 64 PHE N . 28131 1 584 . 1 . 1 65 65 LYS H H 1 8.54 0.00 . 1 . . . . . 65 LYS H . 28131 1 585 . 1 . 1 65 65 LYS HA H 1 4.27 0.00 . 1 . . . . . 65 LYS HA . 28131 1 586 . 1 . 1 65 65 LYS HB2 H 1 1.50 0.00 . . . . . . . 65 LYS HB2 . 28131 1 587 . 1 . 1 65 65 LYS HB3 H 1 1.74 0.00 . . . . . . . 65 LYS HB3 . 28131 1 588 . 1 . 1 65 65 LYS HG2 H 1 1.07 0.00 . . . . . . . 65 LYS HG2 . 28131 1 589 . 1 . 1 65 65 LYS HD2 H 1 2.29 0.00 . . . . . . . 65 LYS HD2 . 28131 1 590 . 1 . 1 65 65 LYS HE2 H 1 3.94 0.00 . . . . . . . 65 LYS HE2 . 28131 1 591 . 1 . 1 65 65 LYS C C 13 173.41 0.00 . 1 . . . . . 65 LYS C . 28131 1 592 . 1 . 1 65 65 LYS CA C 13 54.27 0.00 . 1 . . . . . 65 LYS CA . 28131 1 593 . 1 . 1 65 65 LYS CB C 13 34.82 0.00 . 1 . . . . . 65 LYS CB . 28131 1 594 . 1 . 1 65 65 LYS CG C 13 22.25 0.00 . 1 . . . . . 65 LYS CG . 28131 1 595 . 1 . 1 65 65 LYS CD C 13 28.57 0.00 . 1 . . . . . 65 LYS CD . 28131 1 596 . 1 . 1 65 65 LYS N N 15 128.24 0.00 . 1 . . . . . 65 LYS N . 28131 1 597 . 1 . 1 66 66 ASP H H 1 8.09 0.00 . 1 . . . . . 66 ASP H . 28131 1 598 . 1 . 1 66 66 ASP HA H 1 4.60 0.00 . 1 . . . . . 66 ASP HA . 28131 1 599 . 1 . 1 66 66 ASP HB2 H 1 2.45 0.00 . . . . . . . 66 ASP HB2 . 28131 1 600 . 1 . 1 66 66 ASP HB3 H 1 2.76 0.00 . . . . . . . 66 ASP HB3 . 28131 1 601 . 1 . 1 66 66 ASP C C 13 176.72 0.00 . 1 . . . . . 66 ASP C . 28131 1 602 . 1 . 1 66 66 ASP CA C 13 54.17 0.00 . 1 . . . . . 66 ASP CA . 28131 1 603 . 1 . 1 66 66 ASP CB C 13 40.55 0.00 . 1 . . . . . 66 ASP CB . 28131 1 604 . 1 . 1 66 66 ASP N N 15 120.62 0.00 . 1 . . . . . 66 ASP N . 28131 1 605 . 1 . 1 67 67 ILE H H 1 8.93 0.00 . 1 . . . . . 67 ILE H . 28131 1 606 . 1 . 1 67 67 ILE HA H 1 4.74 0.00 . 1 . . . . . 67 ILE HA . 28131 1 607 . 1 . 1 67 67 ILE HB H 1 2.17 0.00 . 1 . . . . . 67 ILE HB . 28131 1 608 . 1 . 1 67 67 ILE HG12 H 1 1.18 0.00 . . . . . . . 67 ILE HG12 . 28131 1 609 . 1 . 1 67 67 ILE HG13 H 1 0.86 0.00 . . . . . . . 67 ILE HG13 . 28131 1 610 . 1 . 1 67 67 ILE HG21 H 1 0.75 0.00 . 1 . . . . . 67 ILE MG . 28131 1 611 . 1 . 1 67 67 ILE HG22 H 1 0.75 0.00 . 1 . . . . . 67 ILE MG . 28131 1 612 . 1 . 1 67 67 ILE HG23 H 1 0.75 0.00 . 1 . . . . . 67 ILE MG . 28131 1 613 . 1 . 1 67 67 ILE C C 13 174.53 0.00 . 1 . . . . . 67 ILE C . 28131 1 614 . 1 . 1 67 67 ILE CA C 13 60.57 0.00 . 1 . . . . . 67 ILE CA . 28131 1 615 . 1 . 1 67 67 ILE CB C 13 36.88 0.00 . 1 . . . . . 67 ILE CB . 28131 1 616 . 1 . 1 67 67 ILE CG1 C 13 25.28 0.00 . 1 . . . . . 67 ILE CG1 . 28131 1 617 . 1 . 1 67 67 ILE N N 15 121.93 0.00 . 1 . . . . . 67 ILE N . 28131 1 618 . 1 . 1 68 68 GLY H H 1 8.94 0.00 . 1 . . . . . 68 GLY H . 28131 1 619 . 1 . 1 68 68 GLY HA2 H 1 4.68 0.00 . . . . . . . 68 GLY HA2 . 28131 1 620 . 1 . 1 68 68 GLY HA3 H 1 3.93 0.00 . . . . . . . 68 GLY HA3 . 28131 1 621 . 1 . 1 68 68 GLY C C 13 171.74 0.00 . 1 . . . . . 68 GLY C . 28131 1 622 . 1 . 1 68 68 GLY CA C 13 44.52 0.00 . 1 . . . . . 68 GLY CA . 28131 1 623 . 1 . 1 68 68 GLY N N 15 112.18 0.00 . 1 . . . . . 68 GLY N . 28131 1 624 . 1 . 1 69 69 THR H H 1 8.01 0.00 . 1 . . . . . 69 THR H . 28131 1 625 . 1 . 1 69 69 THR HA H 1 5.08 0.00 . 1 . . . . . 69 THR HA . 28131 1 626 . 1 . 1 69 69 THR HB H 1 3.76 0.00 . 1 . . . . . 69 THR HB . 28131 1 627 . 1 . 1 69 69 THR C C 13 173.63 0.00 . 1 . . . . . 69 THR C . 28131 1 628 . 1 . 1 69 69 THR CA C 13 61.78 0.00 . 1 . . . . . 69 THR CA . 28131 1 629 . 1 . 1 69 69 THR CB C 13 69.95 0.00 . 1 . . . . . 69 THR CB . 28131 1 630 . 1 . 1 69 69 THR CG2 C 13 20.57 0.00 . 1 . . . . . 69 THR CG2 . 28131 1 631 . 1 . 1 69 69 THR N N 15 114.33 0.00 . 1 . . . . . 69 THR N . 28131 1 632 . 1 . 1 70 70 LYS H H 1 7.70 0.00 . 1 . . . . . 70 LYS H . 28131 1 633 . 1 . 1 70 70 LYS HA H 1 4.57 0.00 . 1 . . . . . 70 LYS HA . 28131 1 634 . 1 . 1 70 70 LYS HB2 H 1 1.08 0.00 . . . . . . . 70 LYS HB2 . 28131 1 635 . 1 . 1 70 70 LYS HB3 H 1 1.53 0.00 . . . . . . . 70 LYS HB3 . 28131 1 636 . 1 . 1 70 70 LYS HG2 H 1 0.30 0.00 . . . . . . . 70 LYS HG2 . 28131 1 637 . 1 . 1 70 70 LYS HE2 H 1 3.05 0.00 . . . . . . . 70 LYS HE2 . 28131 1 638 . 1 . 1 70 70 LYS C C 13 175.72 0.00 . 1 . . . . . 70 LYS C . 28131 1 639 . 1 . 1 70 70 LYS CA C 13 52.46 0.00 . 1 . . . . . 70 LYS CA . 28131 1 640 . 1 . 1 70 70 LYS CB C 13 35.36 0.00 . 1 . . . . . 70 LYS CB . 28131 1 641 . 1 . 1 70 70 LYS CG C 13 22.10 0.00 . 1 . . . . . 70 LYS CG . 28131 1 642 . 1 . 1 70 70 LYS CD C 13 29.61 0.00 . 1 . . . . . 70 LYS CD . 28131 1 643 . 1 . 1 70 70 LYS CE C 13 40.84 0.00 . 1 . . . . . 70 LYS CE . 28131 1 644 . 1 . 1 70 70 LYS N N 15 122.79 0.00 . 1 . . . . . 70 LYS N . 28131 1 645 . 1 . 1 71 71 ASP H H 1 8.48 0.00 . 1 . . . . . 71 ASP H . 28131 1 646 . 1 . 1 71 71 ASP HA H 1 4.92 0.00 . 1 . . . . . 71 ASP HA . 28131 1 647 . 1 . 1 71 71 ASP HB2 H 1 2.49 0.00 . . . . . . . 71 ASP HB2 . 28131 1 648 . 1 . 1 71 71 ASP HB3 H 1 2.83 0.00 . . . . . . . 71 ASP HB3 . 28131 1 649 . 1 . 1 71 71 ASP C C 13 176.93 0.00 . 1 . . . . . 71 ASP C . 28131 1 650 . 1 . 1 71 71 ASP CA C 13 54.37 0.00 . 1 . . . . . 71 ASP CA . 28131 1 651 . 1 . 1 71 71 ASP CB C 13 40.54 0.00 . 1 . . . . . 71 ASP CB . 28131 1 652 . 1 . 1 71 71 ASP N N 15 123.73 0.00 . 1 . . . . . 71 ASP N . 28131 1 653 . 1 . 1 72 72 LYS H H 1 8.58 0.00 . 1 . . . . . 72 LYS H . 28131 1 654 . 1 . 1 72 72 LYS HA H 1 4.80 0.00 . 1 . . . . . 72 LYS HA . 28131 1 655 . 1 . 1 72 72 LYS HB2 H 1 1.50 0.00 . . . . . . . 72 LYS HB2 . 28131 1 656 . 1 . 1 72 72 LYS HB3 H 1 1.76 0.00 . . . . . . . 72 LYS HB3 . 28131 1 657 . 1 . 1 72 72 LYS HG2 H 1 0.87 0.00 . . . . . . . 72 LYS HG2 . 28131 1 658 . 1 . 1 72 72 LYS HD3 H 1 2.18 0.00 . . . . . . . 72 LYS HD3 . 28131 1 659 . 1 . 1 72 72 LYS C C 13 174.66 0.00 . 1 . . . . . 72 LYS C . 28131 1 660 . 1 . 1 72 72 LYS CA C 13 55.28 0.00 . 1 . . . . . 72 LYS CA . 28131 1 661 . 1 . 1 72 72 LYS CB C 13 33.51 0.00 . 1 . . . . . 72 LYS CB . 28131 1 662 . 1 . 1 72 72 LYS CG C 13 23.77 0.00 . 1 . . . . . 72 LYS CG . 28131 1 663 . 1 . 1 72 72 LYS CD C 13 29.65 0.00 . 1 . . . . . 72 LYS CD . 28131 1 664 . 1 . 1 72 72 LYS N N 15 120.99 0.00 . 1 . . . . . 72 LYS N . 28131 1 665 . 1 . 1 73 73 GLU H H 1 8.93 0.00 . 1 . . . . . 73 GLU H . 28131 1 666 . 1 . 1 73 73 GLU HA H 1 4.75 0.00 . 1 . . . . . 73 GLU HA . 28131 1 667 . 1 . 1 73 73 GLU HB2 H 1 1.34 0.00 . . . . . . . 73 GLU HB2 . 28131 1 668 . 1 . 1 73 73 GLU HB3 H 1 2.14 0.00 . . . . . . . 73 GLU HB3 . 28131 1 669 . 1 . 1 73 73 GLU HG2 H 1 2.58 0.00 . . . . . . . 73 GLU HG2 . 28131 1 670 . 1 . 1 73 73 GLU HG3 H 1 2.46 0.00 . . . . . . . 73 GLU HG3 . 28131 1 671 . 1 . 1 73 73 GLU C C 13 174.91 0.00 . 1 . . . . . 73 GLU C . 28131 1 672 . 1 . 1 73 73 GLU CA C 13 54.24 0.00 . 1 . . . . . 73 GLU CA . 28131 1 673 . 1 . 1 73 73 GLU CB C 13 32.37 0.00 . 1 . . . . . 73 GLU CB . 28131 1 674 . 1 . 1 73 73 GLU CG C 13 36.01 0.00 . 1 . . . . . 73 GLU CG . 28131 1 675 . 1 . 1 73 73 GLU N N 15 119.51 0.00 . 1 . . . . . 73 GLU N . 28131 1 676 . 1 . 1 74 74 MET H H 1 8.44 0.00 . 1 . . . . . 74 MET H . 28131 1 677 . 1 . 1 74 74 MET HA H 1 5.58 0.00 . 1 . . . . . 74 MET HA . 28131 1 678 . 1 . 1 74 74 MET HB2 H 1 1.62 0.00 . . . . . . . 74 MET HB2 . 28131 1 679 . 1 . 1 74 74 MET HB3 H 1 2.01 0.00 . . . . . . . 74 MET HB3 . 28131 1 680 . 1 . 1 74 74 MET HG2 H 1 2.65 0.00 . . . . . . . 74 MET HG2 . 28131 1 681 . 1 . 1 74 74 MET HG3 H 1 2.36 0.00 . . . . . . . 74 MET HG3 . 28131 1 682 . 1 . 1 74 74 MET C C 13 175.85 0.00 . 1 . . . . . 74 MET C . 28131 1 683 . 1 . 1 74 74 MET CA C 13 52.54 0.00 . 1 . . . . . 74 MET CA . 28131 1 684 . 1 . 1 74 74 MET CB C 13 31.17 0.00 . 1 . . . . . 74 MET CB . 28131 1 685 . 1 . 1 74 74 MET CG C 13 30.85 0.00 . 1 . . . . . 74 MET CG . 28131 1 686 . 1 . 1 74 74 MET N N 15 119.88 0.00 . 1 . . . . . 74 MET N . 28131 1 687 . 1 . 1 75 75 ARG H H 1 8.63 0.00 . 1 . . . . . 75 ARG H . 28131 1 688 . 1 . 1 75 75 ARG HA H 1 4.87 0.00 . 1 . . . . . 75 ARG HA . 28131 1 689 . 1 . 1 75 75 ARG HB2 H 1 1.82 0.00 . . . . . . . 75 ARG HB2 . 28131 1 690 . 1 . 1 75 75 ARG HB3 H 1 2.55 0.00 . . . . . . . 75 ARG HB3 . 28131 1 691 . 1 . 1 75 75 ARG HG2 H 1 1.34 0.00 . . . . . . . 75 ARG HG2 . 28131 1 692 . 1 . 1 75 75 ARG HD2 H 1 3.04 0.00 . . . . . . . 75 ARG HD2 . 28131 1 693 . 1 . 1 75 75 ARG C C 13 175.90 0.00 . 1 . . . . . 75 ARG C . 28131 1 694 . 1 . 1 75 75 ARG CA C 13 53.89 0.00 . 1 . . . . . 75 ARG CA . 28131 1 695 . 1 . 1 75 75 ARG CB C 13 35.33 0.00 . 1 . . . . . 75 ARG CB . 28131 1 696 . 1 . 1 75 75 ARG CG C 13 26.97 0.00 . 1 . . . . . 75 ARG CG . 28131 1 697 . 1 . 1 75 75 ARG CD C 13 42.37 0.00 . 1 . . . . . 75 ARG CD . 28131 1 698 . 1 . 1 75 75 ARG N N 15 121.57 0.00 . 1 . . . . . 75 ARG N . 28131 1 699 . 1 . 1 76 76 ASN H H 1 8.60 0.00 . 1 . . . . . 76 ASN H . 28131 1 700 . 1 . 1 76 76 ASN HA H 1 4.10 0.00 . 1 . . . . . 76 ASN HA . 28131 1 701 . 1 . 1 76 76 ASN HB2 H 1 2.87 0.00 . . . . . . . 76 ASN HB2 . 28131 1 702 . 1 . 1 76 76 ASN HB3 H 1 1.82 0.00 . . . . . . . 76 ASN HB3 . 28131 1 703 . 1 . 1 76 76 ASN C C 13 174.95 0.00 . 1 . . . . . 76 ASN C . 28131 1 704 . 1 . 1 76 76 ASN CA C 13 55.56 0.00 . 1 . . . . . 76 ASN CA . 28131 1 705 . 1 . 1 76 76 ASN CB C 13 38.28 0.00 . 1 . . . . . 76 ASN CB . 28131 1 706 . 1 . 1 76 76 ASN N N 15 123.13 0.00 . 1 . . . . . 76 ASN N . 28131 1 707 . 1 . 1 77 77 TYR H H 1 8.26 0.00 . 1 . . . . . 77 TYR H . 28131 1 708 . 1 . 1 77 77 TYR CA C 13 58.72 0.00 . 1 . . . . . 77 TYR CA . 28131 1 709 . 1 . 1 77 77 TYR CB C 13 36.76 0.00 . 1 . . . . . 77 TYR CB . 28131 1 710 . 1 . 1 77 77 TYR N N 15 125.84 0.00 . 1 . . . . . 77 TYR N . 28131 1 711 . 1 . 1 78 78 LEU HA H 1 4.05 0.00 . 1 . . . . . 78 LEU HA . 28131 1 712 . 1 . 1 78 78 LEU HB2 H 1 2.59 0.00 . . . . . . . 78 LEU HB2 . 28131 1 713 . 1 . 1 78 78 LEU HG H 1 1.46 0.00 . 1 . . . . . 78 LEU HG . 28131 1 714 . 1 . 1 78 78 LEU HD11 H 1 0.83 0.00 . . . . . . . 78 LEU MD1 . 28131 1 715 . 1 . 1 78 78 LEU HD12 H 1 0.83 0.00 . . . . . . . 78 LEU MD1 . 28131 1 716 . 1 . 1 78 78 LEU HD13 H 1 0.83 0.00 . . . . . . . 78 LEU MD1 . 28131 1 717 . 1 . 1 78 78 LEU HD21 H 1 0.05 0.00 . . . . . . . 78 LEU MD2 . 28131 1 718 . 1 . 1 78 78 LEU HD22 H 1 0.05 0.00 . . . . . . . 78 LEU MD2 . 28131 1 719 . 1 . 1 78 78 LEU HD23 H 1 0.05 0.00 . . . . . . . 78 LEU MD2 . 28131 1 720 . 1 . 1 78 78 LEU CG C 13 24.33 0.00 . 1 . . . . . 78 LEU CG . 28131 1 721 . 1 . 1 78 78 LEU CD1 C 13 21.18 0.00 . . . . . . . 78 LEU CD1 . 28131 1 722 . 1 . 1 79 79 GLY H H 1 8.33 0.00 . 1 . . . . . 79 GLY H . 28131 1 723 . 1 . 1 79 79 GLY HA2 H 1 3.89 0.00 . . . . . . . 79 GLY HA2 . 28131 1 724 . 1 . 1 79 79 GLY HA3 H 1 3.61 0.00 . . . . . . . 79 GLY HA3 . 28131 1 725 . 1 . 1 79 79 GLY C C 13 173.08 0.00 . 1 . . . . . 79 GLY C . 28131 1 726 . 1 . 1 79 79 GLY CA C 13 45.02 0.00 . 1 . . . . . 79 GLY CA . 28131 1 727 . 1 . 1 79 79 GLY N N 15 110.32 0.00 . 1 . . . . . 79 GLY N . 28131 1 728 . 1 . 1 80 80 ASP H H 1 6.96 0.00 . 1 . . . . . 80 ASP H . 28131 1 729 . 1 . 1 80 80 ASP CA C 13 49.67 0.00 . 1 . . . . . 80 ASP CA . 28131 1 730 . 1 . 1 80 80 ASP CB C 13 41.66 0.00 . 1 . . . . . 80 ASP CB . 28131 1 731 . 1 . 1 80 80 ASP N N 15 122.82 0.00 . 1 . . . . . 80 ASP N . 28131 1 732 . 1 . 1 81 81 PRO HA H 1 4.08 0.00 . 1 . . . . . 81 PRO HA . 28131 1 733 . 1 . 1 81 81 PRO HB2 H 1 1.93 0.00 . . . . . . . 81 PRO HB2 . 28131 1 734 . 1 . 1 81 81 PRO HB3 H 1 2.22 0.00 . . . . . . . 81 PRO HB3 . 28131 1 735 . 1 . 1 81 81 PRO HG2 H 1 1.85 0.00 . . . . . . . 81 PRO HG2 . 28131 1 736 . 1 . 1 81 81 PRO CG C 13 26.44 0.00 . 1 . . . . . 81 PRO CG . 28131 1 737 . 1 . 1 81 81 PRO CD C 13 50.57 0.00 . 1 . . . . . 81 PRO CD . 28131 1 738 . 1 . 1 82 82 ASN H H 1 8.48 0.00 . 1 . . . . . 82 ASN H . 28131 1 739 . 1 . 1 82 82 ASN HA H 1 4.60 0.00 . 1 . . . . . 82 ASN HA . 28131 1 740 . 1 . 1 82 82 ASN HB2 H 1 2.65 0.00 . . . . . . . 82 ASN HB2 . 28131 1 741 . 1 . 1 82 82 ASN HB3 H 1 2.71 0.00 . . . . . . . 82 ASN HB3 . 28131 1 742 . 1 . 1 82 82 ASN C C 13 175.40 0.00 . 1 . . . . . 82 ASN C . 28131 1 743 . 1 . 1 82 82 ASN CA C 13 53.15 0.00 . 1 . . . . . 82 ASN CA . 28131 1 744 . 1 . 1 82 82 ASN CB C 13 38.34 0.00 . 1 . . . . . 82 ASN CB . 28131 1 745 . 1 . 1 82 82 ASN N N 15 115.52 0.00 . 1 . . . . . 82 ASN N . 28131 1 746 . 1 . 1 83 83 GLN H H 1 8.04 0.00 . 1 . . . . . 83 GLN H . 28131 1 747 . 1 . 1 83 83 GLN CA C 13 53.01 0.00 . 1 . . . . . 83 GLN CA . 28131 1 748 . 1 . 1 83 83 GLN CB C 13 28.46 0.00 . 1 . . . . . 83 GLN CB . 28131 1 749 . 1 . 1 83 83 GLN N N 15 121.25 0.00 . 1 . . . . . 83 GLN N . 28131 1 750 . 1 . 1 84 84 PRO HA H 1 4.40 0.00 . 1 . . . . . 84 PRO HA . 28131 1 751 . 1 . 1 84 84 PRO HB2 H 1 1.92 0.00 . . . . . . . 84 PRO HB2 . 28131 1 752 . 1 . 1 84 84 PRO HB3 H 1 2.33 0.00 . . . . . . . 84 PRO HB3 . 28131 1 753 . 1 . 1 84 84 PRO HG2 H 1 1.68 0.00 . . . . . . . 84 PRO HG2 . 28131 1 754 . 1 . 1 84 84 PRO CG C 13 26.92 0.00 . 1 . . . . . 84 PRO CG . 28131 1 755 . 1 . 1 84 84 PRO CD C 13 50.24 0.00 . 1 . . . . . 84 PRO CD . 28131 1 756 . 1 . 1 85 85 LYS H H 1 8.41 0.00 . 1 . . . . . 85 LYS H . 28131 1 757 . 1 . 1 85 85 LYS HA H 1 4.07 0.00 . 1 . . . . . 85 LYS HA . 28131 1 758 . 1 . 1 85 85 LYS HB2 H 1 1.53 0.00 . . . . . . . 85 LYS HB2 . 28131 1 759 . 1 . 1 85 85 LYS HB3 H 1 1.79 0.00 . . . . . . . 85 LYS HB3 . 28131 1 760 . 1 . 1 85 85 LYS HG2 H 1 1.08 0.00 . . . . . . . 85 LYS HG2 . 28131 1 761 . 1 . 1 85 85 LYS HD2 H 1 1.29 0.00 . . . . . . . 85 LYS HD2 . 28131 1 762 . 1 . 1 85 85 LYS HE2 H 1 3.97 0.00 . . . . . . . 85 LYS HE2 . 28131 1 763 . 1 . 1 85 85 LYS C C 13 175.42 0.00 . 1 . . . . . 85 LYS C . 28131 1 764 . 1 . 1 85 85 LYS CA C 13 56.47 0.00 . 1 . . . . . 85 LYS CA . 28131 1 765 . 1 . 1 85 85 LYS CB C 13 32.64 0.00 . 1 . . . . . 85 LYS CB . 28131 1 766 . 1 . 1 85 85 LYS CG C 13 25.84 0.00 . 1 . . . . . 85 LYS CG . 28131 1 767 . 1 . 1 85 85 LYS CD C 13 28.90 0.00 . 1 . . . . . 85 LYS CD . 28131 1 768 . 1 . 1 85 85 LYS CE C 13 41.67 0.00 . 1 . . . . . 85 LYS CE . 28131 1 769 . 1 . 1 85 85 LYS N N 15 120.26 0.00 . 1 . . . . . 85 LYS N . 28131 1 770 . 1 . 1 86 86 THR H H 1 8.66 0.00 . 1 . . . . . 86 THR H . 28131 1 771 . 1 . 1 86 86 THR HA H 1 4.72 0.00 . 1 . . . . . 86 THR HA . 28131 1 772 . 1 . 1 86 86 THR HB H 1 3.74 0.00 . 1 . . . . . 86 THR HB . 28131 1 773 . 1 . 1 86 86 THR C C 13 170.67 0.00 . 1 . . . . . 86 THR C . 28131 1 774 . 1 . 1 86 86 THR CA C 13 58.53 0.00 . 1 . . . . . 86 THR CA . 28131 1 775 . 1 . 1 86 86 THR CB C 13 71.09 0.00 . 1 . . . . . 86 THR CB . 28131 1 776 . 1 . 1 86 86 THR CG2 C 13 18.20 0.00 . 1 . . . . . 86 THR CG2 . 28131 1 777 . 1 . 1 86 86 THR N N 15 116.48 0.00 . 1 . . . . . 86 THR N . 28131 1 778 . 1 . 1 87 87 ASN H H 1 7.18 0.00 . 1 . . . . . 87 ASN H . 28131 1 779 . 1 . 1 87 87 ASN HA H 1 4.81 0.00 . 1 . . . . . 87 ASN HA . 28131 1 780 . 1 . 1 87 87 ASN HB2 H 1 2.75 0.00 . . . . . . . 87 ASN HB2 . 28131 1 781 . 1 . 1 87 87 ASN HB3 H 1 2.91 0.00 . . . . . . . 87 ASN HB3 . 28131 1 782 . 1 . 1 87 87 ASN C C 13 172.72 0.00 . 1 . . . . . 87 ASN C . 28131 1 783 . 1 . 1 87 87 ASN CA C 13 54.46 0.00 . 1 . . . . . 87 ASN CA . 28131 1 784 . 1 . 1 87 87 ASN CB C 13 38.70 0.00 . 1 . . . . . 87 ASN CB . 28131 1 785 . 1 . 1 87 87 ASN N N 15 123.34 0.00 . 1 . . . . . 87 ASN N . 28131 1 786 . 1 . 1 88 88 TYR H H 1 9.07 0.00 . 1 . . . . . 88 TYR H . 28131 1 787 . 1 . 1 88 88 TYR HA H 1 5.21 0.00 . 1 . . . . . 88 TYR HA . 28131 1 788 . 1 . 1 88 88 TYR HB2 H 1 2.49 0.00 . . . . . . . 88 TYR HB2 . 28131 1 789 . 1 . 1 88 88 TYR HB3 H 1 2.53 0.00 . . . . . . . 88 TYR HB3 . 28131 1 790 . 1 . 1 88 88 TYR C C 13 172.85 0.00 . 1 . . . . . 88 TYR C . 28131 1 791 . 1 . 1 88 88 TYR CA C 13 55.24 0.00 . 1 . . . . . 88 TYR CA . 28131 1 792 . 1 . 1 88 88 TYR CB C 13 40.69 0.00 . 1 . . . . . 88 TYR CB . 28131 1 793 . 1 . 1 88 88 TYR N N 15 124.58 0.00 . 1 . . . . . 88 TYR N . 28131 1 794 . 1 . 1 89 89 VAL H H 1 8.20 0.00 . 1 . . . . . 89 VAL H . 28131 1 795 . 1 . 1 89 89 VAL HA H 1 3.93 0.00 . 1 . . . . . 89 VAL HA . 28131 1 796 . 1 . 1 89 89 VAL HB H 1 1.41 0.00 . 1 . . . . . 89 VAL HB . 28131 1 797 . 1 . 1 89 89 VAL HG11 H 1 0.51 0.00 . . . . . . . 89 VAL MG1 . 28131 1 798 . 1 . 1 89 89 VAL HG12 H 1 0.51 0.00 . . . . . . . 89 VAL MG1 . 28131 1 799 . 1 . 1 89 89 VAL HG13 H 1 0.51 0.00 . . . . . . . 89 VAL MG1 . 28131 1 800 . 1 . 1 89 89 VAL HG21 H 1 0.27 0.00 . . . . . . . 89 VAL MG2 . 28131 1 801 . 1 . 1 89 89 VAL HG22 H 1 0.27 0.00 . . . . . . . 89 VAL MG2 . 28131 1 802 . 1 . 1 89 89 VAL HG23 H 1 0.27 0.00 . . . . . . . 89 VAL MG2 . 28131 1 803 . 1 . 1 89 89 VAL C C 13 173.75 0.00 . 1 . . . . . 89 VAL C . 28131 1 804 . 1 . 1 89 89 VAL CA C 13 60.08 0.00 . 1 . . . . . 89 VAL CA . 28131 1 805 . 1 . 1 89 89 VAL CB C 13 31.23 0.00 . 1 . . . . . 89 VAL CB . 28131 1 806 . 1 . 1 89 89 VAL CG1 C 13 19.98 0.00 . . . . . . . 89 VAL CG1 . 28131 1 807 . 1 . 1 89 89 VAL N N 15 128.26 0.00 . 1 . . . . . 89 VAL N . 28131 1 808 . 1 . 1 90 90 ASN H H 1 9.26 0.00 . 1 . . . . . 90 ASN H . 28131 1 809 . 1 . 1 90 90 ASN HA H 1 3.38 0.00 . 1 . . . . . 90 ASN HA . 28131 1 810 . 1 . 1 90 90 ASN HB2 H 1 2.46 0.00 . . . . . . . 90 ASN HB2 . 28131 1 811 . 1 . 1 90 90 ASN HB3 H 1 4.45 0.00 . . . . . . . 90 ASN HB3 . 28131 1 812 . 1 . 1 90 90 ASN C C 13 176.56 0.00 . 1 . . . . . 90 ASN C . 28131 1 813 . 1 . 1 90 90 ASN CA C 13 50.76 0.00 . 1 . . . . . 90 ASN CA . 28131 1 814 . 1 . 1 90 90 ASN CB C 13 35.78 0.00 . 1 . . . . . 90 ASN CB . 28131 1 815 . 1 . 1 90 90 ASN N N 15 125.93 0.00 . 1 . . . . . 90 ASN N . 28131 1 816 . 1 . 1 91 91 LEU H H 1 7.85 0.00 . 1 . . . . . 91 LEU H . 28131 1 817 . 1 . 1 91 91 LEU HA H 1 3.90 0.00 . 1 . . . . . 91 LEU HA . 28131 1 818 . 1 . 1 91 91 LEU HB2 H 1 1.31 0.00 . . . . . . . 91 LEU HB2 . 28131 1 819 . 1 . 1 91 91 LEU HG H 1 1.17 0.00 . 1 . . . . . 91 LEU HG . 28131 1 820 . 1 . 1 91 91 LEU C C 13 177.02 0.00 . 1 . . . . . 91 LEU C . 28131 1 821 . 1 . 1 91 91 LEU CA C 13 57.55 0.00 . 1 . . . . . 91 LEU CA . 28131 1 822 . 1 . 1 91 91 LEU CB C 13 39.23 0.00 . 1 . . . . . 91 LEU CB . 28131 1 823 . 1 . 1 91 91 LEU CG C 13 27.09 0.00 . 1 . . . . . 91 LEU CG . 28131 1 824 . 1 . 1 91 91 LEU CD2 C 13 25.28 0.00 . . . . . . . 91 LEU CD2 . 28131 1 825 . 1 . 1 91 91 LEU N N 15 125.79 0.00 . 1 . . . . . 91 LEU N . 28131 1 826 . 1 . 1 92 92 ARG H H 1 7.74 0.00 . 1 . . . . . 92 ARG H . 28131 1 827 . 1 . 1 92 92 ARG HA H 1 4.14 0.00 . 1 . . . . . 92 ARG HA . 28131 1 828 . 1 . 1 92 92 ARG HB2 H 1 1.96 0.00 . . . . . . . 92 ARG HB2 . 28131 1 829 . 1 . 1 92 92 ARG HB3 H 1 2.00 0.00 . . . . . . . 92 ARG HB3 . 28131 1 830 . 1 . 1 92 92 ARG HG2 H 1 1.91 0.00 . . . . . . . 92 ARG HG2 . 28131 1 831 . 1 . 1 92 92 ARG HD2 H 1 3.83 0.00 . . . . . . . 92 ARG HD2 . 28131 1 832 . 1 . 1 92 92 ARG C C 13 177.22 0.00 . 1 . . . . . 92 ARG C . 28131 1 833 . 1 . 1 92 92 ARG CA C 13 56.57 0.00 . 1 . . . . . 92 ARG CA . 28131 1 834 . 1 . 1 92 92 ARG CB C 13 27.99 0.00 . 1 . . . . . 92 ARG CB . 28131 1 835 . 1 . 1 92 92 ARG CG C 13 26.02 0.00 . 1 . . . . . 92 ARG CG . 28131 1 836 . 1 . 1 92 92 ARG CD C 13 42.11 0.00 . 1 . . . . . 92 ARG CD . 28131 1 837 . 1 . 1 92 92 ARG N N 15 114.83 0.00 . 1 . . . . . 92 ARG N . 28131 1 838 . 1 . 1 93 93 SER H H 1 7.66 0.00 . 1 . . . . . 93 SER H . 28131 1 839 . 1 . 1 93 93 SER HA H 1 4.54 0.00 . 1 . . . . . 93 SER HA . 28131 1 840 . 1 . 1 93 93 SER HB2 H 1 3.91 0.00 . . . . . . . 93 SER HB2 . 28131 1 841 . 1 . 1 93 93 SER C C 13 173.53 0.00 . 1 . . . . . 93 SER C . 28131 1 842 . 1 . 1 93 93 SER CA C 13 58.05 0.00 . 1 . . . . . 93 SER CA . 28131 1 843 . 1 . 1 93 93 SER CB C 13 63.85 0.00 . 1 . . . . . 93 SER CB . 28131 1 844 . 1 . 1 93 93 SER N N 15 113.77 0.00 . 1 . . . . . 93 SER N . 28131 1 845 . 1 . 1 94 94 TYR H H 1 7.23 0.00 . 1 . . . . . 94 TYR H . 28131 1 846 . 1 . 1 94 94 TYR HA H 1 3.96 0.00 . 1 . . . . . 94 TYR HA . 28131 1 847 . 1 . 1 94 94 TYR HB2 H 1 2.96 0.00 . . . . . . . 94 TYR HB2 . 28131 1 848 . 1 . 1 94 94 TYR HB3 H 1 3.01 0.00 . . . . . . . 94 TYR HB3 . 28131 1 849 . 1 . 1 94 94 TYR C C 13 174.29 0.00 . 1 . . . . . 94 TYR C . 28131 1 850 . 1 . 1 94 94 TYR CA C 13 58.23 0.00 . 1 . . . . . 94 TYR CA . 28131 1 851 . 1 . 1 94 94 TYR CB C 13 36.13 0.00 . 1 . . . . . 94 TYR CB . 28131 1 852 . 1 . 1 94 94 TYR N N 15 123.19 0.00 . 1 . . . . . 94 TYR N . 28131 1 853 . 1 . 1 95 95 PHE H H 1 9.18 0.00 . 1 . . . . . 95 PHE H . 28131 1 854 . 1 . 1 95 95 PHE HA H 1 4.89 0.00 . 1 . . . . . 95 PHE HA . 28131 1 855 . 1 . 1 95 95 PHE HB2 H 1 3.00 0.00 . . . . . . . 95 PHE HB2 . 28131 1 856 . 1 . 1 95 95 PHE HB3 H 1 3.13 0.00 . . . . . . . 95 PHE HB3 . 28131 1 857 . 1 . 1 95 95 PHE C C 13 175.74 0.00 . 1 . . . . . 95 PHE C . 28131 1 858 . 1 . 1 95 95 PHE CA C 13 57.15 0.00 . 1 . . . . . 95 PHE CA . 28131 1 859 . 1 . 1 95 95 PHE CB C 13 35.67 0.00 . 1 . . . . . 95 PHE CB . 28131 1 860 . 1 . 1 95 95 PHE N N 15 122.47 0.00 . 1 . . . . . 95 PHE N . 28131 1 861 . 1 . 1 96 96 THR H H 1 8.04 0.00 . 1 . . . . . 96 THR H . 28131 1 862 . 1 . 1 96 96 THR HA H 1 4.15 0.00 . 1 . . . . . 96 THR HA . 28131 1 863 . 1 . 1 96 96 THR C C 13 176.96 0.00 . 1 . . . . . 96 THR C . 28131 1 864 . 1 . 1 96 96 THR CA C 13 60.76 0.00 . 1 . . . . . 96 THR CA . 28131 1 865 . 1 . 1 96 96 THR CB C 13 69.87 0.00 . 1 . . . . . 96 THR CB . 28131 1 866 . 1 . 1 96 96 THR CG2 C 13 21.76 0.00 . 1 . . . . . 96 THR CG2 . 28131 1 867 . 1 . 1 96 96 THR N N 15 113.40 0.00 . 1 . . . . . 96 THR N . 28131 1 868 . 1 . 1 97 97 GLY H H 1 8.45 0.00 . 1 . . . . . 97 GLY H . 28131 1 869 . 1 . 1 97 97 GLY HA2 H 1 3.99 0.00 . . . . . . . 97 GLY HA2 . 28131 1 870 . 1 . 1 97 97 GLY HA3 H 1 3.74 0.00 . . . . . . . 97 GLY HA3 . 28131 1 871 . 1 . 1 97 97 GLY C C 13 174.72 0.00 . 1 . . . . . 97 GLY C . 28131 1 872 . 1 . 1 97 97 GLY CA C 13 46.01 0.00 . 1 . . . . . 97 GLY CA . 28131 1 873 . 1 . 1 97 97 GLY N N 15 113.25 0.00 . 1 . . . . . 97 GLY N . 28131 1 874 . 1 . 1 98 98 GLY H H 1 8.19 0.00 . 1 . . . . . 98 GLY H . 28131 1 875 . 1 . 1 98 98 GLY HA2 H 1 4.14 0.00 . . . . . . . 98 GLY HA2 . 28131 1 876 . 1 . 1 98 98 GLY HA3 H 1 3.54 0.00 . . . . . . . 98 GLY HA3 . 28131 1 877 . 1 . 1 98 98 GLY C C 13 173.91 0.00 . 1 . . . . . 98 GLY C . 28131 1 878 . 1 . 1 98 98 GLY CA C 13 44.17 0.00 . 1 . . . . . 98 GLY CA . 28131 1 879 . 1 . 1 98 98 GLY N N 15 107.44 0.00 . 1 . . . . . 98 GLY N . 28131 1 880 . 1 . 1 99 99 GLU H H 1 7.29 0.00 . 1 . . . . . 99 GLU H . 28131 1 881 . 1 . 1 99 99 GLU HA H 1 4.27 0.00 . 1 . . . . . 99 GLU HA . 28131 1 882 . 1 . 1 99 99 GLU HB2 H 1 2.34 0.00 . . . . . . . 99 GLU HB2 . 28131 1 883 . 1 . 1 99 99 GLU C C 13 176.06 0.00 . 1 . . . . . 99 GLU C . 28131 1 884 . 1 . 1 99 99 GLU CA C 13 55.90 0.00 . 1 . . . . . 99 GLU CA . 28131 1 885 . 1 . 1 99 99 GLU CB C 13 31.51 0.00 . 1 . . . . . 99 GLU CB . 28131 1 886 . 1 . 1 99 99 GLU CG C 13 37.12 0.00 . 1 . . . . . 99 GLU CG . 28131 1 887 . 1 . 1 99 99 GLU N N 15 120.78 0.00 . 1 . . . . . 99 GLU N . 28131 1 888 . 1 . 1 100 100 ASN H H 1 8.77 0.00 . 1 . . . . . 100 ASN H . 28131 1 889 . 1 . 1 100 100 ASN HA H 1 4.28 0.00 . 1 . . . . . 100 ASN HA . 28131 1 890 . 1 . 1 100 100 ASN HB2 H 1 1.74 0.00 . . . . . . . 100 ASN HB2 . 28131 1 891 . 1 . 1 100 100 ASN HB3 H 1 3.05 0.00 . . . . . . . 100 ASN HB3 . 28131 1 892 . 1 . 1 100 100 ASN C C 13 173.35 0.00 . 1 . . . . . 100 ASN C . 28131 1 893 . 1 . 1 100 100 ASN CA C 13 52.31 0.00 . 1 . . . . . 100 ASN CA . 28131 1 894 . 1 . 1 100 100 ASN CB C 13 38.93 0.00 . 1 . . . . . 100 ASN CB . 28131 1 895 . 1 . 1 100 100 ASN CG C 13 29.52 0.00 . 1 . . . . . 100 ASN CG . 28131 1 896 . 1 . 1 100 100 ASN N N 15 119.40 0.00 . 1 . . . . . 100 ASN N . 28131 1 897 . 1 . 1 101 101 ILE H H 1 8.70 0.00 . 1 . . . . . 101 ILE H . 28131 1 898 . 1 . 1 101 101 ILE HA H 1 4.12 0.00 . 1 . . . . . 101 ILE HA . 28131 1 899 . 1 . 1 101 101 ILE HB H 1 1.82 0.00 . 1 . . . . . 101 ILE HB . 28131 1 900 . 1 . 1 101 101 ILE HG21 H 1 0.67 0.00 . 1 . . . . . 101 ILE MG . 28131 1 901 . 1 . 1 101 101 ILE HG22 H 1 0.67 0.00 . 1 . . . . . 101 ILE MG . 28131 1 902 . 1 . 1 101 101 ILE HG23 H 1 0.67 0.00 . 1 . . . . . 101 ILE MG . 28131 1 903 . 1 . 1 101 101 ILE C C 13 175.86 0.00 . 1 . . . . . 101 ILE C . 28131 1 904 . 1 . 1 101 101 ILE CA C 13 60.98 0.00 . 1 . . . . . 101 ILE CA . 28131 1 905 . 1 . 1 101 101 ILE CB C 13 37.31 0.00 . 1 . . . . . 101 ILE CB . 28131 1 906 . 1 . 1 101 101 ILE CG1 C 13 29.11 0.00 . 1 . . . . . 101 ILE CG1 . 28131 1 907 . 1 . 1 101 101 ILE CD1 C 13 44.40 0.00 . 1 . . . . . 101 ILE CD1 . 28131 1 908 . 1 . 1 101 101 ILE N N 15 122.39 0.00 . 1 . . . . . 101 ILE N . 28131 1 909 . 1 . 1 102 102 MET H H 1 8.39 0.00 . 1 . . . . . 102 MET H . 28131 1 910 . 1 . 1 102 102 MET CA C 13 54.55 0.00 . 1 . . . . . 102 MET CA . 28131 1 911 . 1 . 1 102 102 MET N N 15 124.72 0.00 . 1 . . . . . 102 MET N . 28131 1 912 . 1 . 1 104 104 TYR CD1 C 13 19.40 0.00 . . . . . . . 104 TYR CD1 . 28131 1 913 . 1 . 1 105 105 LYS H H 1 8.48 0.00 . 1 . . . . . 105 LYS H . 28131 1 914 . 1 . 1 105 105 LYS CA C 13 58.45 0.00 . 1 . . . . . 105 LYS CA . 28131 1 915 . 1 . 1 105 105 LYS CB C 13 38.14 0.00 . 1 . . . . . 105 LYS CB . 28131 1 916 . 1 . 1 105 105 LYS N N 15 116.42 0.00 . 1 . . . . . 105 LYS N . 28131 1 917 . 1 . 1 106 106 LYS HA H 1 4.13 0.00 . 1 . . . . . 106 LYS HA . 28131 1 918 . 1 . 1 106 106 LYS HB2 H 1 1.06 0.00 . . . . . . . 106 LYS HB2 . 28131 1 919 . 1 . 1 106 106 LYS HB3 H 1 1.31 0.00 . . . . . . . 106 LYS HB3 . 28131 1 920 . 1 . 1 106 106 LYS HG2 H 1 0.67 0.00 . . . . . . . 106 LYS HG2 . 28131 1 921 . 1 . 1 106 106 LYS CG C 13 24.67 0.00 . 1 . . . . . 106 LYS CG . 28131 1 922 . 1 . 1 106 106 LYS CE C 13 40.73 0.00 . 1 . . . . . 106 LYS CE . 28131 1 923 . 1 . 1 107 107 LEU H H 1 8.26 0.00 . 1 . . . . . 107 LEU H . 28131 1 924 . 1 . 1 107 107 LEU HA H 1 5.08 0.00 . 1 . . . . . 107 LEU HA . 28131 1 925 . 1 . 1 107 107 LEU HB2 H 1 1.69 0.00 . . . . . . . 107 LEU HB2 . 28131 1 926 . 1 . 1 107 107 LEU HG H 1 1.45 0.00 . 1 . . . . . 107 LEU HG . 28131 1 927 . 1 . 1 107 107 LEU HD11 H 1 0.77 0.00 . . . . . . . 107 LEU MD1 . 28131 1 928 . 1 . 1 107 107 LEU HD12 H 1 0.77 0.00 . . . . . . . 107 LEU MD1 . 28131 1 929 . 1 . 1 107 107 LEU HD13 H 1 0.77 0.00 . . . . . . . 107 LEU MD1 . 28131 1 930 . 1 . 1 107 107 LEU HD21 H 1 0.51 0.00 . . . . . . . 107 LEU MD2 . 28131 1 931 . 1 . 1 107 107 LEU HD22 H 1 0.51 0.00 . . . . . . . 107 LEU MD2 . 28131 1 932 . 1 . 1 107 107 LEU HD23 H 1 0.51 0.00 . . . . . . . 107 LEU MD2 . 28131 1 933 . 1 . 1 107 107 LEU C C 13 175.42 0.00 . 1 . . . . . 107 LEU C . 28131 1 934 . 1 . 1 107 107 LEU CA C 13 54.40 0.00 . 1 . . . . . 107 LEU CA . 28131 1 935 . 1 . 1 107 107 LEU CB C 13 44.70 0.00 . 1 . . . . . 107 LEU CB . 28131 1 936 . 1 . 1 107 107 LEU CG C 13 25.86 0.00 . 1 . . . . . 107 LEU CG . 28131 1 937 . 1 . 1 107 107 LEU CD1 C 13 28.19 0.00 . . . . . . . 107 LEU CD1 . 28131 1 938 . 1 . 1 107 107 LEU CD2 C 13 23.32 0.00 . . . . . . . 107 LEU CD2 . 28131 1 939 . 1 . 1 107 107 LEU N N 15 128.04 0.00 . 1 . . . . . 107 LEU N . 28131 1 940 . 1 . 1 108 108 ARG H H 1 9.87 0.00 . 1 . . . . . 108 ARG H . 28131 1 941 . 1 . 1 108 108 ARG HA H 1 5.07 0.00 . 1 . . . . . 108 ARG HA . 28131 1 942 . 1 . 1 108 108 ARG HB2 H 1 2.16 0.00 . . . . . . . 108 ARG HB2 . 28131 1 943 . 1 . 1 108 108 ARG C C 13 173.27 0.00 . 1 . . . . . 108 ARG C . 28131 1 944 . 1 . 1 108 108 ARG CA C 13 54.25 0.00 . 1 . . . . . 108 ARG CA . 28131 1 945 . 1 . 1 108 108 ARG CB C 13 34.13 0.00 . 1 . . . . . 108 ARG CB . 28131 1 946 . 1 . 1 108 108 ARG CG C 13 27.21 0.00 . 1 . . . . . 108 ARG CG . 28131 1 947 . 1 . 1 108 108 ARG N N 15 129.30 0.00 . 1 . . . . . 108 ARG N . 28131 1 948 . 1 . 1 109 109 ILE H H 1 8.42 0.00 . 1 . . . . . 109 ILE H . 28131 1 949 . 1 . 1 109 109 ILE HA H 1 4.73 0.00 . 1 . . . . . 109 ILE HA . 28131 1 950 . 1 . 1 109 109 ILE HB H 1 1.67 0.00 . 1 . . . . . 109 ILE HB . 28131 1 951 . 1 . 1 109 109 ILE HG12 H 1 0.90 0.00 . . . . . . . 109 ILE HG12 . 28131 1 952 . 1 . 1 109 109 ILE HG13 H 1 0.77 0.00 . . . . . . . 109 ILE HG13 . 28131 1 953 . 1 . 1 109 109 ILE C C 13 172.87 0.00 . 1 . . . . . 109 ILE C . 28131 1 954 . 1 . 1 109 109 ILE CA C 13 60.38 0.00 . 1 . . . . . 109 ILE CA . 28131 1 955 . 1 . 1 109 109 ILE CG1 C 13 26.38 0.00 . 1 . . . . . 109 ILE CG1 . 28131 1 956 . 1 . 1 109 109 ILE CD1 C 13 12.97 0.00 . 1 . . . . . 109 ILE CD1 . 28131 1 957 . 1 . 1 109 109 ILE N N 15 120.24 0.00 . 1 . . . . . 109 ILE N . 28131 1 958 . 1 . 1 110 110 TYR H H 1 9.69 0.00 . 1 . . . . . 110 TYR H . 28131 1 959 . 1 . 1 110 110 TYR HA H 1 5.22 0.00 . 1 . . . . . 110 TYR HA . 28131 1 960 . 1 . 1 110 110 TYR HB2 H 1 2.48 0.00 . . . . . . . 110 TYR HB2 . 28131 1 961 . 1 . 1 110 110 TYR HB3 H 1 2.80 0.00 . . . . . . . 110 TYR HB3 . 28131 1 962 . 1 . 1 110 110 TYR C C 13 176.02 0.00 . 1 . . . . . 110 TYR C . 28131 1 963 . 1 . 1 110 110 TYR CA C 13 54.92 0.00 . 1 . . . . . 110 TYR CA . 28131 1 964 . 1 . 1 110 110 TYR CB C 13 38.92 0.00 . 1 . . . . . 110 TYR CB . 28131 1 965 . 1 . 1 110 110 TYR N N 15 127.52 0.00 . 1 . . . . . 110 TYR N . 28131 1 966 . 1 . 1 111 111 ALA H H 1 9.28 0.00 . 1 . . . . . 111 ALA H . 28131 1 967 . 1 . 1 111 111 ALA HA H 1 4.14 0.00 . 1 . . . . . 111 ALA HA . 28131 1 968 . 1 . 1 111 111 ALA HB1 H 1 0.88 0.00 . 1 . . . . . 111 ALA MB . 28131 1 969 . 1 . 1 111 111 ALA HB2 H 1 0.88 0.00 . 1 . . . . . 111 ALA MB . 28131 1 970 . 1 . 1 111 111 ALA HB3 H 1 0.88 0.00 . 1 . . . . . 111 ALA MB . 28131 1 971 . 1 . 1 111 111 ALA C C 13 174.98 0.00 . 1 . . . . . 111 ALA C . 28131 1 972 . 1 . 1 111 111 ALA CA C 13 50.89 0.00 . 1 . . . . . 111 ALA CA . 28131 1 973 . 1 . 1 111 111 ALA CB C 13 19.38 0.00 . 1 . . . . . 111 ALA CB . 28131 1 974 . 1 . 1 111 111 ALA N N 15 128.03 0.00 . 1 . . . . . 111 ALA N . 28131 1 975 . 1 . 1 112 112 ILE H H 1 7.53 0.00 . 1 . . . . . 112 ILE H . 28131 1 976 . 1 . 1 112 112 ILE HA H 1 5.05 0.00 . 1 . . . . . 112 ILE HA . 28131 1 977 . 1 . 1 112 112 ILE HB H 1 1.56 0.00 . 1 . . . . . 112 ILE HB . 28131 1 978 . 1 . 1 112 112 ILE HG12 H 1 1.21 0.00 . . . . . . . 112 ILE HG12 . 28131 1 979 . 1 . 1 112 112 ILE HG13 H 1 0.85 0.00 . . . . . . . 112 ILE HG13 . 28131 1 980 . 1 . 1 112 112 ILE HG21 H 1 0.73 0.00 . 1 . . . . . 112 ILE MG . 28131 1 981 . 1 . 1 112 112 ILE HG22 H 1 0.73 0.00 . 1 . . . . . 112 ILE MG . 28131 1 982 . 1 . 1 112 112 ILE HG23 H 1 0.73 0.00 . 1 . . . . . 112 ILE MG . 28131 1 983 . 1 . 1 112 112 ILE C C 13 176.46 0.00 . 1 . . . . . 112 ILE C . 28131 1 984 . 1 . 1 112 112 ILE CA C 13 57.99 0.00 . 1 . . . . . 112 ILE CA . 28131 1 985 . 1 . 1 112 112 ILE CB C 13 36.74 0.00 . 1 . . . . . 112 ILE CB . 28131 1 986 . 1 . 1 112 112 ILE CG2 C 13 27.20 0.00 . 1 . . . . . 112 ILE CG2 . 28131 1 987 . 1 . 1 112 112 ILE CD1 C 13 12.92 0.00 . 1 . . . . . 112 ILE CD1 . 28131 1 988 . 1 . 1 112 112 ILE N N 15 123.61 0.00 . 1 . . . . . 112 ILE N . 28131 1 989 . 1 . 1 113 113 THR H H 1 8.82 0.00 . 1 . . . . . 113 THR H . 28131 1 990 . 1 . 1 113 113 THR CA C 13 60.32 0.00 . 1 . . . . . 113 THR CA . 28131 1 991 . 1 . 1 113 113 THR CB C 13 67.27 0.00 . 1 . . . . . 113 THR CB . 28131 1 992 . 1 . 1 113 113 THR N N 15 118.60 0.00 . 1 . . . . . 113 THR N . 28131 1 993 . 1 . 1 114 114 PRO HA H 1 4.29 0.00 . 1 . . . . . 114 PRO HA . 28131 1 994 . 1 . 1 114 114 PRO HB2 H 1 1.73 0.00 . . . . . . . 114 PRO HB2 . 28131 1 995 . 1 . 1 114 114 PRO HB3 H 1 2.24 0.00 . . . . . . . 114 PRO HB3 . 28131 1 996 . 1 . 1 114 114 PRO HG2 H 1 1.64 0.00 . . . . . . . 114 PRO HG2 . 28131 1 997 . 1 . 1 114 114 PRO HG3 H 1 2.77 0.00 . . . . . . . 114 PRO HG3 . 28131 1 998 . 1 . 1 114 114 PRO CG C 13 27.87 0.00 . 1 . . . . . 114 PRO CG . 28131 1 999 . 1 . 1 114 114 PRO CD C 13 50.16 0.00 . 1 . . . . . 114 PRO CD . 28131 1 1000 . 1 . 1 115 115 ASP H H 1 7.61 0.00 . 1 . . . . . 115 ASP H . 28131 1 1001 . 1 . 1 115 115 ASP HA H 1 4.58 0.00 . 1 . . . . . 115 ASP HA . 28131 1 1002 . 1 . 1 115 115 ASP HB2 H 1 2.90 0.00 . . . . . . . 115 ASP HB2 . 28131 1 1003 . 1 . 1 115 115 ASP HB3 H 1 2.46 0.00 . . . . . . . 115 ASP HB3 . 28131 1 1004 . 1 . 1 115 115 ASP C C 13 173.84 0.00 . 1 . . . . . 115 ASP C . 28131 1 1005 . 1 . 1 115 115 ASP CA C 13 51.97 0.00 . 1 . . . . . 115 ASP CA . 28131 1 1006 . 1 . 1 115 115 ASP CB C 13 37.98 0.00 . 1 . . . . . 115 ASP CB . 28131 1 1007 . 1 . 1 115 115 ASP N N 15 112.51 0.00 . 1 . . . . . 115 ASP N . 28131 1 1008 . 1 . 1 116 116 ASP H H 1 7.90 0.00 . 1 . . . . . 116 ASP H . 28131 1 1009 . 1 . 1 116 116 ASP HA H 1 4.07 0.00 . 1 . . . . . 116 ASP HA . 28131 1 1010 . 1 . 1 116 116 ASP HB2 H 1 2.62 0.00 . . . . . . . 116 ASP HB2 . 28131 1 1011 . 1 . 1 116 116 ASP HB3 H 1 2.85 0.00 . . . . . . . 116 ASP HB3 . 28131 1 1012 . 1 . 1 116 116 ASP C C 13 174.95 0.00 . 1 . . . . . 116 ASP C . 28131 1 1013 . 1 . 1 116 116 ASP CA C 13 55.70 0.00 . 1 . . . . . 116 ASP CA . 28131 1 1014 . 1 . 1 116 116 ASP CB C 13 37.77 0.00 . 1 . . . . . 116 ASP CB . 28131 1 1015 . 1 . 1 116 116 ASP N N 15 115.15 0.00 . 1 . . . . . 116 ASP N . 28131 1 1016 . 1 . 1 117 117 ARG H H 1 7.71 0.00 . 1 . . . . . 117 ARG H . 28131 1 1017 . 1 . 1 117 117 ARG HA H 1 4.37 0.00 . 1 . . . . . 117 ARG HA . 28131 1 1018 . 1 . 1 117 117 ARG HB2 H 1 1.51 0.00 . . . . . . . 117 ARG HB2 . 28131 1 1019 . 1 . 1 117 117 ARG HB3 H 1 1.88 0.00 . . . . . . . 117 ARG HB3 . 28131 1 1020 . 1 . 1 117 117 ARG HG2 H 1 1.24 0.00 . . . . . . . 117 ARG HG2 . 28131 1 1021 . 1 . 1 117 117 ARG HD3 H 1 2.59 0.00 . . . . . . . 117 ARG HD3 . 28131 1 1022 . 1 . 1 117 117 ARG C C 13 174.47 0.00 . 1 . . . . . 117 ARG C . 28131 1 1023 . 1 . 1 117 117 ARG CA C 13 55.17 0.00 . 1 . . . . . 117 ARG CA . 28131 1 1024 . 1 . 1 117 117 ARG CB C 13 30.70 0.00 . 1 . . . . . 117 ARG CB . 28131 1 1025 . 1 . 1 117 117 ARG CG C 13 27.30 0.00 . 1 . . . . . 117 ARG CG . 28131 1 1026 . 1 . 1 117 117 ARG CD C 13 42.89 0.00 . 1 . . . . . 117 ARG CD . 28131 1 1027 . 1 . 1 117 117 ARG N N 15 118.78 0.00 . 1 . . . . . 117 ARG N . 28131 1 1028 . 1 . 1 118 118 GLU H H 1 8.20 0.00 . 1 . . . . . 118 GLU H . 28131 1 1029 . 1 . 1 118 118 GLU HA H 1 5.15 0.00 . 1 . . . . . 118 GLU HA . 28131 1 1030 . 1 . 1 118 118 GLU HB2 H 1 1.42 0.00 . . . . . . . 118 GLU HB2 . 28131 1 1031 . 1 . 1 118 118 GLU HB3 H 1 1.74 0.00 . . . . . . . 118 GLU HB3 . 28131 1 1032 . 1 . 1 118 118 GLU HG2 H 1 1.95 0.00 . . . . . . . 118 GLU HG2 . 28131 1 1033 . 1 . 1 118 118 GLU C C 13 175.29 0.00 . 1 . . . . . 118 GLU C . 28131 1 1034 . 1 . 1 118 118 GLU CA C 13 54.42 0.00 . 1 . . . . . 118 GLU CA . 28131 1 1035 . 1 . 1 118 118 GLU CB C 13 31.42 0.00 . 1 . . . . . 118 GLU CB . 28131 1 1036 . 1 . 1 118 118 GLU CG C 13 37.00 0.00 . 1 . . . . . 118 GLU CG . 28131 1 1037 . 1 . 1 118 118 GLU N N 15 120.60 0.00 . 1 . . . . . 118 GLU N . 28131 1 1038 . 1 . 1 119 119 LEU H H 1 9.03 0.00 . 1 . . . . . 119 LEU H . 28131 1 1039 . 1 . 1 119 119 LEU HA H 1 4.77 0.00 . 1 . . . . . 119 LEU HA . 28131 1 1040 . 1 . 1 119 119 LEU HB2 H 1 1.39 0.00 . . . . . . . 119 LEU HB2 . 28131 1 1041 . 1 . 1 119 119 LEU HG H 1 1.22 0.00 . 1 . . . . . 119 LEU HG . 28131 1 1042 . 1 . 1 119 119 LEU HD11 H 1 0.79 0.00 . . . . . . . 119 LEU MD1 . 28131 1 1043 . 1 . 1 119 119 LEU HD12 H 1 0.79 0.00 . . . . . . . 119 LEU MD1 . 28131 1 1044 . 1 . 1 119 119 LEU HD13 H 1 0.79 0.00 . . . . . . . 119 LEU MD1 . 28131 1 1045 . 1 . 1 119 119 LEU C C 13 174.92 0.00 . 1 . . . . . 119 LEU C . 28131 1 1046 . 1 . 1 119 119 LEU CA C 13 52.34 0.00 . 1 . . . . . 119 LEU CA . 28131 1 1047 . 1 . 1 119 119 LEU CB C 13 44.19 0.00 . 1 . . . . . 119 LEU CB . 28131 1 1048 . 1 . 1 119 119 LEU CG C 13 26.25 0.00 . 1 . . . . . 119 LEU CG . 28131 1 1049 . 1 . 1 119 119 LEU CD1 C 13 23.94 0.00 . . . . . . . 119 LEU CD1 . 28131 1 1050 . 1 . 1 119 119 LEU N N 15 126.37 0.00 . 1 . . . . . 119 LEU N . 28131 1 1051 . 1 . 1 120 120 LEU H H 1 8.92 0.00 . 1 . . . . . 120 LEU H . 28131 1 1052 . 1 . 1 120 120 LEU HA H 1 3.96 0.00 . 1 . . . . . 120 LEU HA . 28131 1 1053 . 1 . 1 120 120 LEU HB2 H 1 1.82 0.00 . . . . . . . 120 LEU HB2 . 28131 1 1054 . 1 . 1 120 120 LEU HG H 1 2.57 0.00 . 1 . . . . . 120 LEU HG . 28131 1 1055 . 1 . 1 120 120 LEU HD11 H 1 1.31 0.00 . . . . . . . 120 LEU MD1 . 28131 1 1056 . 1 . 1 120 120 LEU HD12 H 1 1.31 0.00 . . . . . . . 120 LEU MD1 . 28131 1 1057 . 1 . 1 120 120 LEU HD13 H 1 1.31 0.00 . . . . . . . 120 LEU MD1 . 28131 1 1058 . 1 . 1 120 120 LEU HD21 H 1 1.04 0.00 . . . . . . . 120 LEU MD2 . 28131 1 1059 . 1 . 1 120 120 LEU HD22 H 1 1.04 0.00 . . . . . . . 120 LEU MD2 . 28131 1 1060 . 1 . 1 120 120 LEU HD23 H 1 1.04 0.00 . . . . . . . 120 LEU MD2 . 28131 1 1061 . 1 . 1 120 120 LEU C C 13 175.36 0.00 . 1 . . . . . 120 LEU C . 28131 1 1062 . 1 . 1 120 120 LEU CA C 13 55.59 0.00 . 1 . . . . . 120 LEU CA . 28131 1 1063 . 1 . 1 120 120 LEU CB C 13 39.87 0.00 . 1 . . . . . 120 LEU CB . 28131 1 1064 . 1 . 1 120 120 LEU CG C 13 25.91 0.00 . 1 . . . . . 120 LEU CG . 28131 1 1065 . 1 . 1 120 120 LEU CD1 C 13 21.88 0.00 . . . . . . . 120 LEU CD1 . 28131 1 1066 . 1 . 1 120 120 LEU N N 15 128.66 0.00 . 1 . . . . . 120 LEU N . 28131 1 1067 . 1 . 1 121 121 VAL H H 1 8.30 0.00 . 1 . . . . . 121 VAL H . 28131 1 1068 . 1 . 1 121 121 VAL HA H 1 3.78 0.00 . 1 . . . . . 121 VAL HA . 28131 1 1069 . 1 . 1 121 121 VAL HB H 1 1.83 0.00 . 1 . . . . . 121 VAL HB . 28131 1 1070 . 1 . 1 121 121 VAL HG11 H 1 0.24 0.00 . . . . . . . 121 VAL MG1 . 28131 1 1071 . 1 . 1 121 121 VAL HG12 H 1 0.24 0.00 . . . . . . . 121 VAL MG1 . 28131 1 1072 . 1 . 1 121 121 VAL HG13 H 1 0.24 0.00 . . . . . . . 121 VAL MG1 . 28131 1 1073 . 1 . 1 121 121 VAL HG21 H 1 0.36 0.00 . . . . . . . 121 VAL MG2 . 28131 1 1074 . 1 . 1 121 121 VAL HG22 H 1 0.36 0.00 . . . . . . . 121 VAL MG2 . 28131 1 1075 . 1 . 1 121 121 VAL HG23 H 1 0.36 0.00 . . . . . . . 121 VAL MG2 . 28131 1 1076 . 1 . 1 121 121 VAL C C 13 174.60 0.00 . 1 . . . . . 121 VAL C . 28131 1 1077 . 1 . 1 121 121 VAL CA C 13 59.94 0.00 . 1 . . . . . 121 VAL CA . 28131 1 1078 . 1 . 1 121 121 VAL CB C 13 32.50 0.00 . 1 . . . . . 121 VAL CB . 28131 1 1079 . 1 . 1 121 121 VAL CG1 C 13 21.62 0.00 . . . . . . . 121 VAL CG1 . 28131 1 1080 . 1 . 1 121 121 VAL N N 15 119.13 0.00 . 1 . . . . . 121 VAL N . 28131 1 1081 . 1 . 1 122 122 LEU H H 1 7.22 0.00 . 1 . . . . . 122 LEU H . 28131 1 1082 . 1 . 1 122 122 LEU HA H 1 4.34 0.00 . 1 . . . . . 122 LEU HA . 28131 1 1083 . 1 . 1 122 122 LEU HB2 H 1 1.57 0.00 . . . . . . . 122 LEU HB2 . 28131 1 1084 . 1 . 1 122 122 LEU HG H 1 2.96 0.00 . 1 . . . . . 122 LEU HG . 28131 1 1085 . 1 . 1 122 122 LEU HD11 H 1 1.24 0.00 . . . . . . . 122 LEU MD1 . 28131 1 1086 . 1 . 1 122 122 LEU HD12 H 1 1.24 0.00 . . . . . . . 122 LEU MD1 . 28131 1 1087 . 1 . 1 122 122 LEU HD13 H 1 1.24 0.00 . . . . . . . 122 LEU MD1 . 28131 1 1088 . 1 . 1 122 122 LEU HD21 H 1 1.12 0.00 . . . . . . . 122 LEU MD2 . 28131 1 1089 . 1 . 1 122 122 LEU HD22 H 1 1.12 0.00 . . . . . . . 122 LEU MD2 . 28131 1 1090 . 1 . 1 122 122 LEU HD23 H 1 1.12 0.00 . . . . . . . 122 LEU MD2 . 28131 1 1091 . 1 . 1 122 122 LEU C C 13 173.15 0.00 . 1 . . . . . 122 LEU C . 28131 1 1092 . 1 . 1 122 122 LEU CA C 13 56.23 0.00 . 1 . . . . . 122 LEU CA . 28131 1 1093 . 1 . 1 122 122 LEU CB C 13 44.59 0.00 . 1 . . . . . 122 LEU CB . 28131 1 1094 . 1 . 1 122 122 LEU CG C 13 27.07 0.00 . 1 . . . . . 122 LEU CG . 28131 1 1095 . 1 . 1 122 122 LEU CD1 C 13 24.42 0.00 . . . . . . . 122 LEU CD1 . 28131 1 1096 . 1 . 1 122 122 LEU N N 15 123.86 0.00 . 1 . . . . . 122 LEU N . 28131 1 1097 . 1 . 1 123 123 SER H H 1 8.50 0.00 . 1 . . . . . 123 SER H . 28131 1 1098 . 1 . 1 123 123 SER HA H 1 5.02 0.00 . 1 . . . . . 123 SER HA . 28131 1 1099 . 1 . 1 123 123 SER HB2 H 1 3.65 0.00 . . . . . . . 123 SER HB2 . 28131 1 1100 . 1 . 1 123 123 SER C C 13 172.18 0.00 . 1 . . . . . 123 SER C . 28131 1 1101 . 1 . 1 123 123 SER CA C 13 56.41 0.00 . 1 . . . . . 123 SER CA . 28131 1 1102 . 1 . 1 123 123 SER CB C 13 64.81 0.00 . 1 . . . . . 123 SER CB . 28131 1 1103 . 1 . 1 123 123 SER N N 15 121.78 0.00 . 1 . . . . . 123 SER N . 28131 1 1104 . 1 . 1 124 124 VAL H H 1 8.54 0.00 . 1 . . . . . 124 VAL H . 28131 1 1105 . 1 . 1 124 124 VAL HA H 1 4.12 0.00 . 1 . . . . . 124 VAL HA . 28131 1 1106 . 1 . 1 124 124 VAL HB H 1 1.83 0.00 . 1 . . . . . 124 VAL HB . 28131 1 1107 . 1 . 1 124 124 VAL HG11 H 1 0.75 0.00 . . . . . . . 124 VAL MG1 . 28131 1 1108 . 1 . 1 124 124 VAL HG12 H 1 0.75 0.00 . . . . . . . 124 VAL MG1 . 28131 1 1109 . 1 . 1 124 124 VAL HG13 H 1 0.75 0.00 . . . . . . . 124 VAL MG1 . 28131 1 1110 . 1 . 1 124 124 VAL HG21 H 1 0.70 0.00 . . . . . . . 124 VAL MG2 . 28131 1 1111 . 1 . 1 124 124 VAL HG22 H 1 0.70 0.00 . . . . . . . 124 VAL MG2 . 28131 1 1112 . 1 . 1 124 124 VAL HG23 H 1 0.70 0.00 . . . . . . . 124 VAL MG2 . 28131 1 1113 . 1 . 1 124 124 VAL C C 13 173.90 0.00 . 1 . . . . . 124 VAL C . 28131 1 1114 . 1 . 1 124 124 VAL CA C 13 61.24 0.00 . 1 . . . . . 124 VAL CA . 28131 1 1115 . 1 . 1 124 124 VAL CB C 13 33.99 0.00 . 1 . . . . . 124 VAL CB . 28131 1 1116 . 1 . 1 124 124 VAL CG1 C 13 19.69 0.00 . . . . . . . 124 VAL CG1 . 28131 1 1117 . 1 . 1 124 124 VAL N N 15 127.45 0.00 . 1 . . . . . 124 VAL N . 28131 1 1118 . 1 . 1 125 125 ASP H H 1 8.22 0.00 . 1 . . . . . 125 ASP H . 28131 1 1119 . 1 . 1 125 125 ASP CA C 13 55.94 0.00 . 1 . . . . . 125 ASP CA . 28131 1 1120 . 1 . 1 125 125 ASP CB C 13 42.68 0.00 . 1 . . . . . 125 ASP CB . 28131 1 1121 . 1 . 1 125 125 ASP N N 15 131.57 0.00 . 1 . . . . . 125 ASP N . 28131 1 stop_ save_