data_50516 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50516 _Entry.Title ; Nsp3c SUD-M ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-10-19 _Entry.Accession_date 2020-10-19 _Entry.Last_release_date 2020-10-19 _Entry.Original_release_date 2020-10-19 _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 Angelo Gallo . . . . 50516 2 Aikaterini Tsika . C. . . 50516 3 Nikolaos Fourkiotis . K. . . 50516 4 Georgios Spyroulias . A. . . 50516 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50516 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 521 50516 '15N chemical shifts' 121 50516 '1H chemical shifts' 829 50516 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-04-19 2020-10-19 update BMRB 'update entry citation' 50516 1 . . 2021-01-25 2020-10-19 original author 'original release' 50516 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50448 'SARS Unique Domain N-terminal domain of SARS-CoV-2' 50516 BMRB 50517 'Nsp3c SUD-C' 50516 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50516 _Citation.ID 1 _Citation.Name 'citations 1' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33423172 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H,13C and 15N chemical shift assignments of the SUD domains of SARS-CoV-2 non-structural protein 3c: The SUD-M and SUD-C domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 165 _Citation.Page_last 171 _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 Angelo Gallo . . . . 50516 1 2 Aikaterini Tsika . C. . . 50516 1 3 Nikolaos Fourkiotis . K. . . 50516 1 4 Francesca Cantini . . . . 50516 1 5 Lucia Banci . . . . 50516 1 6 Sridhar Sreeramulu . . . . 50516 1 7 Harald Schwalbe . . . . 50516 1 8 Georgios Spyroulias . A. . . 50516 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50516 _Assembly.ID 1 _Assembly.Name Nsp3c_SUD_M _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 Nsp3c_SUD_M 1 $entity_1 . . yes native no no . . . 50516 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50516 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMGTVSWNLREMLAHAEE TRKLMPVCVETKAIVSTIQR KYKGIKIQEGVVDYGARFYF YTSKTTVASLINTLNDLNET LVTMPLGYVTHGLNLEEAAR YMRSLKVPATVSVSSPDAVT AYNGYLTSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'GSHM residual from cleavage site' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . GLY . 50516 1 2 . SER . 50516 1 3 . HIS . 50516 1 4 . MET . 50516 1 5 . GLY . 50516 1 6 . THR . 50516 1 7 . VAL . 50516 1 8 . SER . 50516 1 9 . TRP . 50516 1 10 . ASN . 50516 1 11 . LEU . 50516 1 12 . ARG . 50516 1 13 . GLU . 50516 1 14 . MET . 50516 1 15 . LEU . 50516 1 16 . ALA . 50516 1 17 . HIS . 50516 1 18 . ALA . 50516 1 19 . GLU . 50516 1 20 . GLU . 50516 1 21 . THR . 50516 1 22 . ARG . 50516 1 23 . LYS . 50516 1 24 . LEU . 50516 1 25 . MET . 50516 1 26 . PRO . 50516 1 27 . VAL . 50516 1 28 . CYS . 50516 1 29 . VAL . 50516 1 30 . GLU . 50516 1 31 . THR . 50516 1 32 . LYS . 50516 1 33 . ALA . 50516 1 34 . ILE . 50516 1 35 . VAL . 50516 1 36 . SER . 50516 1 37 . THR . 50516 1 38 . ILE . 50516 1 39 . GLN . 50516 1 40 . ARG . 50516 1 41 . LYS . 50516 1 42 . TYR . 50516 1 43 . LYS . 50516 1 44 . GLY . 50516 1 45 . ILE . 50516 1 46 . LYS . 50516 1 47 . ILE . 50516 1 48 . GLN . 50516 1 49 . GLU . 50516 1 50 . GLY . 50516 1 51 . VAL . 50516 1 52 . VAL . 50516 1 53 . ASP . 50516 1 54 . TYR . 50516 1 55 . GLY . 50516 1 56 . ALA . 50516 1 57 . ARG . 50516 1 58 . PHE . 50516 1 59 . TYR . 50516 1 60 . PHE . 50516 1 61 . TYR . 50516 1 62 . THR . 50516 1 63 . SER . 50516 1 64 . LYS . 50516 1 65 . THR . 50516 1 66 . THR . 50516 1 67 . VAL . 50516 1 68 . ALA . 50516 1 69 . SER . 50516 1 70 . LEU . 50516 1 71 . ILE . 50516 1 72 . ASN . 50516 1 73 . THR . 50516 1 74 . LEU . 50516 1 75 . ASN . 50516 1 76 . ASP . 50516 1 77 . LEU . 50516 1 78 . ASN . 50516 1 79 . GLU . 50516 1 80 . THR . 50516 1 81 . LEU . 50516 1 82 . VAL . 50516 1 83 . THR . 50516 1 84 . MET . 50516 1 85 . PRO . 50516 1 86 . LEU . 50516 1 87 . GLY . 50516 1 88 . TYR . 50516 1 89 . VAL . 50516 1 90 . THR . 50516 1 91 . HIS . 50516 1 92 . GLY . 50516 1 93 . LEU . 50516 1 94 . ASN . 50516 1 95 . LEU . 50516 1 96 . GLU . 50516 1 97 . GLU . 50516 1 98 . ALA . 50516 1 99 . ALA . 50516 1 100 . ARG . 50516 1 101 . TYR . 50516 1 102 . MET . 50516 1 103 . ARG . 50516 1 104 . SER . 50516 1 105 . LEU . 50516 1 106 . LYS . 50516 1 107 . VAL . 50516 1 108 . PRO . 50516 1 109 . ALA . 50516 1 110 . THR . 50516 1 111 . VAL . 50516 1 112 . SER . 50516 1 113 . VAL . 50516 1 114 . SER . 50516 1 115 . SER . 50516 1 116 . PRO . 50516 1 117 . ASP . 50516 1 118 . ALA . 50516 1 119 . VAL . 50516 1 120 . THR . 50516 1 121 . ALA . 50516 1 122 . TYR . 50516 1 123 . ASN . 50516 1 124 . GLY . 50516 1 125 . TYR . 50516 1 126 . LEU . 50516 1 127 . THR . 50516 1 128 . SER . 50516 1 129 . SER . 50516 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50516 1 . SER 2 2 50516 1 . HIS 3 3 50516 1 . MET 4 4 50516 1 . GLY 5 5 50516 1 . THR 6 6 50516 1 . VAL 7 7 50516 1 . SER 8 8 50516 1 . TRP 9 9 50516 1 . ASN 10 10 50516 1 . LEU 11 11 50516 1 . ARG 12 12 50516 1 . GLU 13 13 50516 1 . MET 14 14 50516 1 . LEU 15 15 50516 1 . ALA 16 16 50516 1 . HIS 17 17 50516 1 . ALA 18 18 50516 1 . GLU 19 19 50516 1 . GLU 20 20 50516 1 . THR 21 21 50516 1 . ARG 22 22 50516 1 . LYS 23 23 50516 1 . LEU 24 24 50516 1 . MET 25 25 50516 1 . PRO 26 26 50516 1 . VAL 27 27 50516 1 . CYS 28 28 50516 1 . VAL 29 29 50516 1 . GLU 30 30 50516 1 . THR 31 31 50516 1 . LYS 32 32 50516 1 . ALA 33 33 50516 1 . ILE 34 34 50516 1 . VAL 35 35 50516 1 . SER 36 36 50516 1 . THR 37 37 50516 1 . ILE 38 38 50516 1 . GLN 39 39 50516 1 . ARG 40 40 50516 1 . LYS 41 41 50516 1 . TYR 42 42 50516 1 . LYS 43 43 50516 1 . GLY 44 44 50516 1 . ILE 45 45 50516 1 . LYS 46 46 50516 1 . ILE 47 47 50516 1 . GLN 48 48 50516 1 . GLU 49 49 50516 1 . GLY 50 50 50516 1 . VAL 51 51 50516 1 . VAL 52 52 50516 1 . ASP 53 53 50516 1 . TYR 54 54 50516 1 . GLY 55 55 50516 1 . ALA 56 56 50516 1 . ARG 57 57 50516 1 . PHE 58 58 50516 1 . TYR 59 59 50516 1 . PHE 60 60 50516 1 . TYR 61 61 50516 1 . THR 62 62 50516 1 . SER 63 63 50516 1 . LYS 64 64 50516 1 . THR 65 65 50516 1 . THR 66 66 50516 1 . VAL 67 67 50516 1 . ALA 68 68 50516 1 . SER 69 69 50516 1 . LEU 70 70 50516 1 . ILE 71 71 50516 1 . ASN 72 72 50516 1 . THR 73 73 50516 1 . LEU 74 74 50516 1 . ASN 75 75 50516 1 . ASP 76 76 50516 1 . LEU 77 77 50516 1 . ASN 78 78 50516 1 . GLU 79 79 50516 1 . THR 80 80 50516 1 . LEU 81 81 50516 1 . VAL 82 82 50516 1 . THR 83 83 50516 1 . MET 84 84 50516 1 . PRO 85 85 50516 1 . LEU 86 86 50516 1 . GLY 87 87 50516 1 . TYR 88 88 50516 1 . VAL 89 89 50516 1 . THR 90 90 50516 1 . HIS 91 91 50516 1 . GLY 92 92 50516 1 . LEU 93 93 50516 1 . ASN 94 94 50516 1 . LEU 95 95 50516 1 . GLU 96 96 50516 1 . GLU 97 97 50516 1 . ALA 98 98 50516 1 . ALA 99 99 50516 1 . ARG 100 100 50516 1 . TYR 101 101 50516 1 . MET 102 102 50516 1 . ARG 103 103 50516 1 . SER 104 104 50516 1 . LEU 105 105 50516 1 . LYS 106 106 50516 1 . VAL 107 107 50516 1 . PRO 108 108 50516 1 . ALA 109 109 50516 1 . THR 110 110 50516 1 . VAL 111 111 50516 1 . SER 112 112 50516 1 . VAL 113 113 50516 1 . SER 114 114 50516 1 . SER 115 115 50516 1 . PRO 116 116 50516 1 . ASP 117 117 50516 1 . ALA 118 118 50516 1 . VAL 119 119 50516 1 . THR 120 120 50516 1 . ALA 121 121 50516 1 . TYR 122 122 50516 1 . ASN 123 123 50516 1 . GLY 124 124 50516 1 . TYR 125 125 50516 1 . LEU 126 126 50516 1 . THR 127 127 50516 1 . SER 128 128 50516 1 . SER 129 129 50516 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50516 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 2697049 organism . 'Severe acute respiratory syndrome coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 50516 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50516 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28a . . . 50516 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50516 _Sample.ID 1 _Sample.Name '#322 1005 Nsp3C (SUD_M)' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '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 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.9 . . mM . . . . 50516 1 2 NaPi 'natural abundance' . . . . . . 50 . . mM . . . . 50516 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 50516 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50516 1 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 50516 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 50516 _Sample_condition_list.ID 1 _Sample_condition_list.Name '#322 1005 Nsp3C (SUD_M) 298K' _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' 104 . mM 50516 1 pH 7.2 . pH 50516 1 pressure 1 . atm 50516 1 temperature 298 . K 50516 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50516 _Software.ID 1 _Software.Type . _Software.Name LOGS _Software.Version 2.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50516 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50516 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50516 2 'peak picking' . 50516 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50516 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50516 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50516 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'NMR spectrometer 1' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50516 _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 '(H)CCH-TOCSY 3D' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 2 HBHA(CBCACO)NH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 3 '2D HSQC HN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 4 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 5 '2D HSQC HN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 7 '2D HSQC HN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 8 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 9 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 10 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 11 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 12 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 13 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 14 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 15 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 16 '2D HSQC HN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 17 '2D HSQC HN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 18 '2D HSQC HN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 19 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 20 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 21 '2D HSQC HN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 22 '2D HSQC HN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 23 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 24 '2D HSQC HN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 25 '2D HSQC HN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 26 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 27 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50516 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50516 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shift reference DSS' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50516 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50516 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50516 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50516 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SUD_M _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '(H)CCH-TOCSY 3D' . . . 50516 1 2 HBHA(CBCACO)NH . . . 50516 1 3 '2D HSQC HN' . . . 50516 1 4 '1D 1H' . . . 50516 1 5 '2D HSQC HN' . . . 50516 1 6 '3D HNCACB' . . . 50516 1 7 '2D HSQC HN' . . . 50516 1 8 '1D 1H' . . . 50516 1 9 '3D HN(CA)CO' . . . 50516 1 10 '3D HN(CO)CACB' . . . 50516 1 11 '1D 1H' . . . 50516 1 12 '3D HNCO' . . . 50516 1 13 '1D 1H' . . . 50516 1 14 '1D 1H' . . . 50516 1 15 '3D HN(CO)CACB' . . . 50516 1 16 '2D HSQC HN' . . . 50516 1 17 '2D HSQC HN' . . . 50516 1 18 '2D HSQC HN' . . . 50516 1 19 '1D 1H' . . . 50516 1 20 '3D HNCA' . . . 50516 1 21 '2D HSQC HN' . . . 50516 1 22 '2D HSQC HN' . . . 50516 1 23 '1D 1H' . . . 50516 1 24 '2D HSQC HN' . . . 50516 1 25 '2D HSQC HN' . . . 50516 1 26 '1D 1H' . . . 50516 1 27 '3D HN(CO)CA' . . . 50516 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50516 1 2 $software_2 . . 50516 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 3 3 HIS HA H 1 4.498 0.020 . 1 . . . . . 3 HIS HA . 50516 1 2 . 1 . 1 3 3 HIS HB2 H 1 2.982 0.020 . 1 . . . . . 3 HIS HB2 . 50516 1 3 . 1 . 1 3 3 HIS HB3 H 1 2.982 0.020 . 1 . . . . . 3 HIS HB3 . 50516 1 4 . 1 . 1 3 3 HIS C C 13 175.351 0.3 . 1 . . . . . 3 HIS C . 50516 1 5 . 1 . 1 3 3 HIS CA C 13 56.827 0.3 . 1 . . . . . 3 HIS CA . 50516 1 6 . 1 . 1 3 3 HIS CB C 13 30.626 0.3 . 1 . . . . . 3 HIS CB . 50516 1 7 . 1 . 1 4 4 MET H H 1 8.222 0.020 . 1 . . . . . 4 MET H . 50516 1 8 . 1 . 1 4 4 MET HA H 1 4.525 0.020 . 1 . . . . . 4 MET HA . 50516 1 9 . 1 . 1 4 4 MET HB2 H 1 1.821 0.020 . 2 . . . . . 4 MET HB2 . 50516 1 10 . 1 . 1 4 4 MET HB3 H 1 1.901 0.020 . 2 . . . . . 4 MET HB3 . 50516 1 11 . 1 . 1 4 4 MET HG2 H 1 2.390 0.020 . 2 . . . . . 4 MET HG2 . 50516 1 12 . 1 . 1 4 4 MET HG3 H 1 2.301 0.020 . 2 . . . . . 4 MET HG3 . 50516 1 13 . 1 . 1 4 4 MET C C 13 175.955 0.3 . 1 . . . . . 4 MET C . 50516 1 14 . 1 . 1 4 4 MET CA C 13 54.955 0.3 . 1 . . . . . 4 MET CA . 50516 1 15 . 1 . 1 4 4 MET CB C 13 32.600 0.3 . 1 . . . . . 4 MET CB . 50516 1 16 . 1 . 1 4 4 MET CG C 13 31.884 0.3 . 1 . . . . . 4 MET CG . 50516 1 17 . 1 . 1 4 4 MET N N 15 122.348 0.3 . 1 . . . . . 4 MET N . 50516 1 18 . 1 . 1 5 5 GLY H H 1 7.964 0.020 . 1 . . . . . 5 GLY H . 50516 1 19 . 1 . 1 5 5 GLY HA2 H 1 3.915 0.020 . 1 . . . . . 5 GLY HA1 . 50516 1 20 . 1 . 1 5 5 GLY HA3 H 1 3.915 0.020 . 1 . . . . . 5 GLY HA2 . 50516 1 21 . 1 . 1 5 5 GLY C C 13 172.398 0.3 . 1 . . . . . 5 GLY C . 50516 1 22 . 1 . 1 5 5 GLY CA C 13 45.261 0.3 . 1 . . . . . 5 GLY CA . 50516 1 23 . 1 . 1 5 5 GLY N N 15 110.052 0.3 . 1 . . . . . 5 GLY N . 50516 1 24 . 1 . 1 6 6 THR H H 1 7.915 0.020 . 1 . . . . . 6 THR H . 50516 1 25 . 1 . 1 6 6 THR HA H 1 5.071 0.020 . 1 . . . . . 6 THR HA . 50516 1 26 . 1 . 1 6 6 THR HB H 1 3.976 0.020 . 1 . . . . . 6 THR HB . 50516 1 27 . 1 . 1 6 6 THR HG21 H 1 1.073 0.020 . 1 . . . . . 6 THR HG2 . 50516 1 28 . 1 . 1 6 6 THR HG22 H 1 1.073 0.020 . 1 . . . . . 6 THR HG2 . 50516 1 29 . 1 . 1 6 6 THR HG23 H 1 1.073 0.020 . 1 . . . . . 6 THR HG2 . 50516 1 30 . 1 . 1 6 6 THR C C 13 174.310 0.3 . 1 . . . . . 6 THR C . 50516 1 31 . 1 . 1 6 6 THR CA C 13 61.268 0.3 . 1 . . . . . 6 THR CA . 50516 1 32 . 1 . 1 6 6 THR CB C 13 68.489 0.3 . 1 . . . . . 6 THR CB . 50516 1 33 . 1 . 1 6 6 THR CG2 C 13 24.996 0.3 . 1 . . . . . 6 THR CG2 . 50516 1 34 . 1 . 1 6 6 THR N N 15 118.825 0.3 . 1 . . . . . 6 THR N . 50516 1 35 . 1 . 1 7 7 VAL H H 1 9.071 0.020 . 1 . . . . . 7 VAL H . 50516 1 36 . 1 . 1 7 7 VAL HA H 1 4.194 0.020 . 1 . . . . . 7 VAL HA . 50516 1 37 . 1 . 1 7 7 VAL HB H 1 0.891 0.020 . 1 . . . . . 7 VAL HB . 50516 1 38 . 1 . 1 7 7 VAL HG11 H 1 0.043 0.020 . 1 . . . . . 7 VAL HG1 . 50516 1 39 . 1 . 1 7 7 VAL HG12 H 1 0.043 0.020 . 1 . . . . . 7 VAL HG1 . 50516 1 40 . 1 . 1 7 7 VAL HG13 H 1 0.043 0.020 . 1 . . . . . 7 VAL HG1 . 50516 1 41 . 1 . 1 7 7 VAL HG21 H 1 -1.016 0.020 . 1 . . . . . 7 VAL HG2 . 50516 1 42 . 1 . 1 7 7 VAL HG22 H 1 -1.016 0.020 . 1 . . . . . 7 VAL HG2 . 50516 1 43 . 1 . 1 7 7 VAL HG23 H 1 -1.016 0.020 . 1 . . . . . 7 VAL HG2 . 50516 1 44 . 1 . 1 7 7 VAL C C 13 173.733 0.3 . 1 . . . . . 7 VAL C . 50516 1 45 . 1 . 1 7 7 VAL CA C 13 58.740 0.3 . 1 . . . . . 7 VAL CA . 50516 1 46 . 1 . 1 7 7 VAL CB C 13 35.638 0.3 . 1 . . . . . 7 VAL CB . 50516 1 47 . 1 . 1 7 7 VAL CG1 C 13 20.566 0.3 . 1 . . . . . 7 VAL CG1 . 50516 1 48 . 1 . 1 7 7 VAL CG2 C 13 15.892 0.3 . 1 . . . . . 7 VAL CG2 . 50516 1 49 . 1 . 1 7 7 VAL N N 15 121.830 0.3 . 1 . . . . . 7 VAL N . 50516 1 50 . 1 . 1 8 8 SER H H 1 8.195 0.020 . 1 . . . . . 8 SER H . 50516 1 51 . 1 . 1 8 8 SER HA H 1 4.853 0.020 . 1 . . . . . 8 SER HA . 50516 1 52 . 1 . 1 8 8 SER HB2 H 1 3.372 0.020 . 2 . . . . . 8 SER HB2 . 50516 1 53 . 1 . 1 8 8 SER HB3 H 1 3.110 0.020 . 2 . . . . . 8 SER HB3 . 50516 1 54 . 1 . 1 8 8 SER C C 13 173.253 0.3 . 1 . . . . . 8 SER C . 50516 1 55 . 1 . 1 8 8 SER CA C 13 56.000 0.3 . 1 . . . . . 8 SER CA . 50516 1 56 . 1 . 1 8 8 SER CB C 13 63.136 0.3 . 1 . . . . . 8 SER CB . 50516 1 57 . 1 . 1 8 8 SER N N 15 113.471 0.3 . 1 . . . . . 8 SER N . 50516 1 58 . 1 . 1 9 9 TRP H H 1 7.678 0.020 . 1 . . . . . 9 TRP H . 50516 1 59 . 1 . 1 9 9 TRP HA H 1 5.350 0.020 . 1 . . . . . 9 TRP HA . 50516 1 60 . 1 . 1 9 9 TRP HB2 H 1 2.849 0.020 . 2 . . . . . 9 TRP HB2 . 50516 1 61 . 1 . 1 9 9 TRP HB3 H 1 3.097 0.020 . 2 . . . . . 9 TRP HB3 . 50516 1 62 . 1 . 1 9 9 TRP HE1 H 1 9.937 0.020 . 1 . . . . . 9 TRP HE1 . 50516 1 63 . 1 . 1 9 9 TRP C C 13 177.167 0.3 . 1 . . . . . 9 TRP C . 50516 1 64 . 1 . 1 9 9 TRP CA C 13 52.276 0.3 . 1 . . . . . 9 TRP CA . 50516 1 65 . 1 . 1 9 9 TRP CB C 13 32.692 0.3 . 1 . . . . . 9 TRP CB . 50516 1 66 . 1 . 1 9 9 TRP N N 15 125.209 0.3 . 1 . . . . . 9 TRP N . 50516 1 67 . 1 . 1 9 9 TRP NE1 N 15 127.505 0.3 . 1 . . . . . 9 TRP NE1 . 50516 1 68 . 1 . 1 10 10 ASN H H 1 9.327 0.020 . 1 . . . . . 10 ASN H . 50516 1 69 . 1 . 1 10 10 ASN HA H 1 4.634 0.020 . 1 . . . . . 10 ASN HA . 50516 1 70 . 1 . 1 10 10 ASN HB2 H 1 3.225 0.020 . 2 . . . . . 10 ASN HB2 . 50516 1 71 . 1 . 1 10 10 ASN HB3 H 1 2.880 0.020 . 2 . . . . . 10 ASN HB3 . 50516 1 72 . 1 . 1 10 10 ASN C C 13 175.415 0.3 . 1 . . . . . 10 ASN C . 50516 1 73 . 1 . 1 10 10 ASN CA C 13 51.518 0.3 . 1 . . . . . 10 ASN CA . 50516 1 74 . 1 . 1 10 10 ASN CB C 13 38.295 0.3 . 1 . . . . . 10 ASN CB . 50516 1 75 . 1 . 1 10 10 ASN N N 15 120.978 0.3 . 1 . . . . . 10 ASN N . 50516 1 76 . 1 . 1 11 11 LEU H H 1 8.519 0.020 . 1 . . . . . 11 LEU H . 50516 1 77 . 1 . 1 11 11 LEU HA H 1 4.039 0.020 . 1 . . . . . 11 LEU HA . 50516 1 78 . 1 . 1 11 11 LEU HB2 H 1 1.740 0.020 . 2 . . . . . 11 LEU HB2 . 50516 1 79 . 1 . 1 11 11 LEU HB3 H 1 1.649 0.020 . 2 . . . . . 11 LEU HB3 . 50516 1 80 . 1 . 1 11 11 LEU HG H 1 1.646 0.020 . 1 . . . . . 11 LEU HG . 50516 1 81 . 1 . 1 11 11 LEU HD11 H 1 1.032 0.020 . 2 . . . . . 11 LEU HD1 . 50516 1 82 . 1 . 1 11 11 LEU HD12 H 1 1.032 0.020 . 2 . . . . . 11 LEU HD1 . 50516 1 83 . 1 . 1 11 11 LEU HD13 H 1 1.032 0.020 . 2 . . . . . 11 LEU HD1 . 50516 1 84 . 1 . 1 11 11 LEU HD21 H 1 0.992 0.020 . 2 . . . . . 11 LEU HD2 . 50516 1 85 . 1 . 1 11 11 LEU HD22 H 1 0.992 0.020 . 2 . . . . . 11 LEU HD2 . 50516 1 86 . 1 . 1 11 11 LEU HD23 H 1 0.992 0.020 . 2 . . . . . 11 LEU HD2 . 50516 1 87 . 1 . 1 11 11 LEU C C 13 178.334 0.3 . 1 . . . . . 11 LEU C . 50516 1 88 . 1 . 1 11 11 LEU CA C 13 58.622 0.3 . 1 . . . . . 11 LEU CA . 50516 1 89 . 1 . 1 11 11 LEU CB C 13 41.476 0.3 . 1 . . . . . 11 LEU CB . 50516 1 90 . 1 . 1 11 11 LEU CG C 13 27.371 0.3 . 1 . . . . . 11 LEU CG . 50516 1 91 . 1 . 1 11 11 LEU CD1 C 13 27.032 0.3 . 1 . . . . . 11 LEU CD1 . 50516 1 92 . 1 . 1 11 11 LEU CD2 C 13 23.941 0.3 . 1 . . . . . 11 LEU CD2 . 50516 1 93 . 1 . 1 11 11 LEU N N 15 119.300 0.3 . 1 . . . . . 11 LEU N . 50516 1 94 . 1 . 1 12 12 ARG H H 1 8.159 0.020 . 1 . . . . . 12 ARG H . 50516 1 95 . 1 . 1 12 12 ARG HA H 1 3.780 0.020 . 1 . . . . . 12 ARG HA . 50516 1 96 . 1 . 1 12 12 ARG HB2 H 1 1.784 0.020 . 1 . . . . . 12 ARG HB2 . 50516 1 97 . 1 . 1 12 12 ARG HB3 H 1 1.784 0.020 . 1 . . . . . 12 ARG HB3 . 50516 1 98 . 1 . 1 12 12 ARG HG2 H 1 1.277 0.020 . 1 . . . . . 12 ARG HG2 . 50516 1 99 . 1 . 1 12 12 ARG HG3 H 1 1.277 0.020 . 1 . . . . . 12 ARG HG3 . 50516 1 100 . 1 . 1 12 12 ARG HD2 H 1 3.097 0.020 . 1 . . . . . 12 ARG HD2 . 50516 1 101 . 1 . 1 12 12 ARG HD3 H 1 3.097 0.020 . 1 . . . . . 12 ARG HD3 . 50516 1 102 . 1 . 1 12 12 ARG C C 13 179.814 0.3 . 1 . . . . . 12 ARG C . 50516 1 103 . 1 . 1 12 12 ARG CA C 13 60.178 0.3 . 1 . . . . . 12 ARG CA . 50516 1 104 . 1 . 1 12 12 ARG CB C 13 29.222 0.3 . 1 . . . . . 12 ARG CB . 50516 1 105 . 1 . 1 12 12 ARG CG C 13 27.575 0.3 . 1 . . . . . 12 ARG CG . 50516 1 106 . 1 . 1 12 12 ARG CD C 13 43.071 0.3 . 1 . . . . . 12 ARG CD . 50516 1 107 . 1 . 1 12 12 ARG N N 15 118.123 0.3 . 1 . . . . . 12 ARG N . 50516 1 108 . 1 . 1 13 13 GLU H H 1 8.382 0.020 . 1 . . . . . 13 GLU H . 50516 1 109 . 1 . 1 13 13 GLU HA H 1 3.696 0.020 . 1 . . . . . 13 GLU HA . 50516 1 110 . 1 . 1 13 13 GLU HB2 H 1 2.125 0.020 . 2 . . . . . 13 GLU HB2 . 50516 1 111 . 1 . 1 13 13 GLU HB3 H 1 1.135 0.020 . 2 . . . . . 13 GLU HB3 . 50516 1 112 . 1 . 1 13 13 GLU HG2 H 1 1.806 0.020 . 1 . . . . . 13 GLU HG2 . 50516 1 113 . 1 . 1 13 13 GLU HG3 H 1 1.806 0.020 . 1 . . . . . 13 GLU HG3 . 50516 1 114 . 1 . 1 13 13 GLU C C 13 179.999 0.3 . 1 . . . . . 13 GLU C . 50516 1 115 . 1 . 1 13 13 GLU CA C 13 58.976 0.3 . 1 . . . . . 13 GLU CA . 50516 1 116 . 1 . 1 13 13 GLU CB C 13 29.224 0.3 . 1 . . . . . 13 GLU CB . 50516 1 117 . 1 . 1 13 13 GLU CG C 13 37.056 0.3 . 1 . . . . . 13 GLU CG . 50516 1 118 . 1 . 1 13 13 GLU N N 15 120.947 0.3 . 1 . . . . . 13 GLU N . 50516 1 119 . 1 . 1 14 14 MET H H 1 8.710 0.020 . 1 . . . . . 14 MET H . 50516 1 120 . 1 . 1 14 14 MET HA H 1 3.897 0.020 . 1 . . . . . 14 MET HA . 50516 1 121 . 1 . 1 14 14 MET HB2 H 1 2.315 0.020 . 1 . . . . . 14 MET HB2 . 50516 1 122 . 1 . 1 14 14 MET HB3 H 1 2.315 0.020 . 1 . . . . . 14 MET HB3 . 50516 1 123 . 1 . 1 14 14 MET HG2 H 1 2.916 0.020 . 1 . . . . . 14 MET HG2 . 50516 1 124 . 1 . 1 14 14 MET HG3 H 1 2.916 0.020 . 1 . . . . . 14 MET HG3 . 50516 1 125 . 1 . 1 14 14 MET C C 13 177.632 0.3 . 1 . . . . . 14 MET C . 50516 1 126 . 1 . 1 14 14 MET CA C 13 60.942 0.3 . 1 . . . . . 14 MET CA . 50516 1 127 . 1 . 1 14 14 MET CB C 13 33.846 0.3 . 1 . . . . . 14 MET CB . 50516 1 128 . 1 . 1 14 14 MET CG C 13 33.608 0.3 . 1 . . . . . 14 MET CG . 50516 1 129 . 1 . 1 14 14 MET N N 15 120.527 0.3 . 1 . . . . . 14 MET N . 50516 1 130 . 1 . 1 15 15 LEU H H 1 8.740 0.020 . 1 . . . . . 15 LEU H . 50516 1 131 . 1 . 1 15 15 LEU HA H 1 4.026 0.020 . 1 . . . . . 15 LEU HA . 50516 1 132 . 1 . 1 15 15 LEU HB2 H 1 1.883 0.020 . 2 . . . . . 15 LEU HB2 . 50516 1 133 . 1 . 1 15 15 LEU HB3 H 1 1.607 0.020 . 2 . . . . . 15 LEU HB3 . 50516 1 134 . 1 . 1 15 15 LEU HG H 1 1.911 0.020 . 1 . . . . . 15 LEU HG . 50516 1 135 . 1 . 1 15 15 LEU HD11 H 1 0.843 0.020 . 2 . . . . . 15 LEU HD1 . 50516 1 136 . 1 . 1 15 15 LEU HD12 H 1 0.843 0.020 . 2 . . . . . 15 LEU HD1 . 50516 1 137 . 1 . 1 15 15 LEU HD13 H 1 0.843 0.020 . 2 . . . . . 15 LEU HD1 . 50516 1 138 . 1 . 1 15 15 LEU HD21 H 1 1.198 0.020 . 1 . . . . . 15 LEU HD2 . 50516 1 139 . 1 . 1 15 15 LEU HD22 H 1 1.198 0.020 . 1 . . . . . 15 LEU HD2 . 50516 1 140 . 1 . 1 15 15 LEU HD23 H 1 1.198 0.020 . 1 . . . . . 15 LEU HD2 . 50516 1 141 . 1 . 1 15 15 LEU C C 13 178.582 0.3 . 1 . . . . . 15 LEU C . 50516 1 142 . 1 . 1 15 15 LEU CA C 13 57.946 0.3 . 1 . . . . . 15 LEU CA . 50516 1 143 . 1 . 1 15 15 LEU CB C 13 41.540 0.3 . 1 . . . . . 15 LEU CB . 50516 1 144 . 1 . 1 15 15 LEU CG C 13 27.321 0.3 . 1 . . . . . 15 LEU CG . 50516 1 145 . 1 . 1 15 15 LEU CD1 C 13 26.152 0.3 . 1 . . . . . 15 LEU CD1 . 50516 1 146 . 1 . 1 15 15 LEU CD2 C 13 23.499 0.3 . 1 . . . . . 15 LEU CD2 . 50516 1 147 . 1 . 1 15 15 LEU N N 15 118.145 0.3 . 1 . . . . . 15 LEU N . 50516 1 148 . 1 . 1 16 16 ALA H H 1 7.903 0.020 . 1 . . . . . 16 ALA H . 50516 1 149 . 1 . 1 16 16 ALA HA H 1 4.047 0.020 . 1 . . . . . 16 ALA HA . 50516 1 150 . 1 . 1 16 16 ALA HB1 H 1 1.299 0.020 . 1 . . . . . 16 ALA HB . 50516 1 151 . 1 . 1 16 16 ALA HB2 H 1 1.299 0.020 . 1 . . . . . 16 ALA HB . 50516 1 152 . 1 . 1 16 16 ALA HB3 H 1 1.299 0.020 . 1 . . . . . 16 ALA HB . 50516 1 153 . 1 . 1 16 16 ALA C C 13 180.330 0.3 . 1 . . . . . 16 ALA C . 50516 1 154 . 1 . 1 16 16 ALA CA C 13 55.032 0.3 . 1 . . . . . 16 ALA CA . 50516 1 155 . 1 . 1 16 16 ALA CB C 13 17.643 0.3 . 1 . . . . . 16 ALA CB . 50516 1 156 . 1 . 1 16 16 ALA N N 15 120.341 0.3 . 1 . . . . . 16 ALA N . 50516 1 157 . 1 . 1 17 17 HIS H H 1 7.862 0.020 . 1 . . . . . 17 HIS H . 50516 1 158 . 1 . 1 17 17 HIS HA H 1 4.134 0.020 . 1 . . . . . 17 HIS HA . 50516 1 159 . 1 . 1 17 17 HIS HB2 H 1 3.115 0.020 . 2 . . . . . 17 HIS HB2 . 50516 1 160 . 1 . 1 17 17 HIS HB3 H 1 2.654 0.020 . 2 . . . . . 17 HIS HB3 . 50516 1 161 . 1 . 1 17 17 HIS C C 13 179.470 0.3 . 1 . . . . . 17 HIS C . 50516 1 162 . 1 . 1 17 17 HIS CA C 13 59.816 0.3 . 1 . . . . . 17 HIS CA . 50516 1 163 . 1 . 1 17 17 HIS CB C 13 28.999 0.3 . 1 . . . . . 17 HIS CB . 50516 1 164 . 1 . 1 17 17 HIS N N 15 117.539 0.3 . 1 . . . . . 17 HIS N . 50516 1 165 . 1 . 1 18 18 ALA H H 1 9.212 0.020 . 1 . . . . . 18 ALA H . 50516 1 166 . 1 . 1 18 18 ALA HA H 1 3.695 0.020 . 1 . . . . . 18 ALA HA . 50516 1 167 . 1 . 1 18 18 ALA HB1 H 1 1.464 0.020 . 1 . . . . . 18 ALA HB . 50516 1 168 . 1 . 1 18 18 ALA HB2 H 1 1.464 0.020 . 1 . . . . . 18 ALA HB . 50516 1 169 . 1 . 1 18 18 ALA HB3 H 1 1.464 0.020 . 1 . . . . . 18 ALA HB . 50516 1 170 . 1 . 1 18 18 ALA C C 13 181.488 0.3 . 1 . . . . . 18 ALA C . 50516 1 171 . 1 . 1 18 18 ALA CA C 13 56.223 0.3 . 1 . . . . . 18 ALA CA . 50516 1 172 . 1 . 1 18 18 ALA CB C 13 17.444 0.3 . 1 . . . . . 18 ALA CB . 50516 1 173 . 1 . 1 18 18 ALA N N 15 124.946 0.3 . 1 . . . . . 18 ALA N . 50516 1 174 . 1 . 1 19 19 GLU H H 1 8.894 0.020 . 1 . . . . . 19 GLU H . 50516 1 175 . 1 . 1 19 19 GLU HA H 1 3.656 0.020 . 1 . . . . . 19 GLU HA . 50516 1 176 . 1 . 1 19 19 GLU HB2 H 1 2.197 0.020 . 2 . . . . . 19 GLU HB2 . 50516 1 177 . 1 . 1 19 19 GLU HB3 H 1 2.002 0.020 . 2 . . . . . 19 GLU HB3 . 50516 1 178 . 1 . 1 19 19 GLU HG2 H 1 2.145 0.020 . 2 . . . . . 19 GLU HG2 . 50516 1 179 . 1 . 1 19 19 GLU HG3 H 1 2.414 0.020 . 2 . . . . . 19 GLU HG3 . 50516 1 180 . 1 . 1 19 19 GLU C C 13 178.263 0.3 . 1 . . . . . 19 GLU C . 50516 1 181 . 1 . 1 19 19 GLU CA C 13 59.928 0.3 . 1 . . . . . 19 GLU CA . 50516 1 182 . 1 . 1 19 19 GLU CB C 13 29.780 0.3 . 1 . . . . . 19 GLU CB . 50516 1 183 . 1 . 1 19 19 GLU CG C 13 36.452 0.3 . 1 . . . . . 19 GLU CG . 50516 1 184 . 1 . 1 19 19 GLU N N 15 121.040 0.3 . 1 . . . . . 19 GLU N . 50516 1 185 . 1 . 1 20 20 GLU H H 1 7.731 0.020 . 1 . . . . . 20 GLU H . 50516 1 186 . 1 . 1 20 20 GLU HA H 1 3.988 0.020 . 1 . . . . . 20 GLU HA . 50516 1 187 . 1 . 1 20 20 GLU HB2 H 1 2.037 0.020 . 2 . . . . . 20 GLU HB2 . 50516 1 188 . 1 . 1 20 20 GLU HB3 H 1 1.880 0.020 . 2 . . . . . 20 GLU HB3 . 50516 1 189 . 1 . 1 20 20 GLU HG2 H 1 2.249 0.020 . 2 . . . . . 20 GLU HG2 . 50516 1 190 . 1 . 1 20 20 GLU HG3 H 1 2.071 0.020 . 2 . . . . . 20 GLU HG3 . 50516 1 191 . 1 . 1 20 20 GLU C C 13 178.201 0.3 . 1 . . . . . 20 GLU C . 50516 1 192 . 1 . 1 20 20 GLU CA C 13 58.852 0.3 . 1 . . . . . 20 GLU CA . 50516 1 193 . 1 . 1 20 20 GLU CB C 13 30.748 0.3 . 1 . . . . . 20 GLU CB . 50516 1 194 . 1 . 1 20 20 GLU CG C 13 35.958 0.3 . 1 . . . . . 20 GLU CG . 50516 1 195 . 1 . 1 20 20 GLU N N 15 116.616 0.3 . 1 . . . . . 20 GLU N . 50516 1 196 . 1 . 1 21 21 THR H H 1 7.761 0.020 . 1 . . . . . 21 THR H . 50516 1 197 . 1 . 1 21 21 THR HA H 1 4.072 0.020 . 1 . . . . . 21 THR HA . 50516 1 198 . 1 . 1 21 21 THR HB H 1 3.967 0.020 . 1 . . . . . 21 THR HB . 50516 1 199 . 1 . 1 21 21 THR HG21 H 1 0.706 0.020 . 1 . . . . . 21 THR HG2 . 50516 1 200 . 1 . 1 21 21 THR HG22 H 1 0.706 0.020 . 1 . . . . . 21 THR HG2 . 50516 1 201 . 1 . 1 21 21 THR HG23 H 1 0.706 0.020 . 1 . . . . . 21 THR HG2 . 50516 1 202 . 1 . 1 21 21 THR C C 13 175.904 0.3 . 1 . . . . . 21 THR C . 50516 1 203 . 1 . 1 21 21 THR CA C 13 62.861 0.3 . 1 . . . . . 21 THR CA . 50516 1 204 . 1 . 1 21 21 THR CB C 13 71.492 0.3 . 1 . . . . . 21 THR CB . 50516 1 205 . 1 . 1 21 21 THR CG2 C 13 20.368 0.3 . 1 . . . . . 21 THR CG2 . 50516 1 206 . 1 . 1 21 21 THR N N 15 105.440 0.3 . 1 . . . . . 21 THR N . 50516 1 207 . 1 . 1 22 22 ARG H H 1 7.862 0.020 . 1 . . . . . 22 ARG H . 50516 1 208 . 1 . 1 22 22 ARG HA H 1 3.904 0.020 . 1 . . . . . 22 ARG HA . 50516 1 209 . 1 . 1 22 22 ARG HB2 H 1 2.026 0.020 . 2 . . . . . 22 ARG HB2 . 50516 1 210 . 1 . 1 22 22 ARG HB3 H 1 1.952 0.020 . 2 . . . . . 22 ARG HB3 . 50516 1 211 . 1 . 1 22 22 ARG HG2 H 1 1.372 0.020 . 2 . . . . . 22 ARG HG2 . 50516 1 212 . 1 . 1 22 22 ARG HG3 H 1 1.274 0.020 . 2 . . . . . 22 ARG HG3 . 50516 1 213 . 1 . 1 22 22 ARG HD2 H 1 3.055 0.020 . 2 . . . . . 22 ARG HD2 . 50516 1 214 . 1 . 1 22 22 ARG HD3 H 1 3.084 0.020 . 2 . . . . . 22 ARG HD3 . 50516 1 215 . 1 . 1 22 22 ARG C C 13 174.992 0.3 . 1 . . . . . 22 ARG C . 50516 1 216 . 1 . 1 22 22 ARG CA C 13 56.177 0.3 . 1 . . . . . 22 ARG CA . 50516 1 217 . 1 . 1 22 22 ARG CB C 13 25.225 0.3 . 1 . . . . . 22 ARG CB . 50516 1 218 . 1 . 1 22 22 ARG CG C 13 24.921 0.3 . 1 . . . . . 22 ARG CG . 50516 1 219 . 1 . 1 22 22 ARG CD C 13 41.834 0.3 . 1 . . . . . 22 ARG CD . 50516 1 220 . 1 . 1 22 22 ARG N N 15 115.336 0.3 . 1 . . . . . 22 ARG N . 50516 1 221 . 1 . 1 23 23 LYS H H 1 7.099 0.020 . 1 . . . . . 23 LYS H . 50516 1 222 . 1 . 1 23 23 LYS HA H 1 3.899 0.020 . 1 . . . . . 23 LYS HA . 50516 1 223 . 1 . 1 23 23 LYS HB2 H 1 1.607 0.020 . 2 . . . . . 23 LYS HB2 . 50516 1 224 . 1 . 1 23 23 LYS HB3 H 1 0.984 0.020 . 2 . . . . . 23 LYS HB3 . 50516 1 225 . 1 . 1 23 23 LYS HG2 H 1 1.380 0.020 . 1 . . . . . 23 LYS HG2 . 50516 1 226 . 1 . 1 23 23 LYS HG3 H 1 1.380 0.020 . 1 . . . . . 23 LYS HG3 . 50516 1 227 . 1 . 1 23 23 LYS HD2 H 1 1.441 0.020 . 1 . . . . . 23 LYS HD2 . 50516 1 228 . 1 . 1 23 23 LYS HD3 H 1 1.441 0.020 . 1 . . . . . 23 LYS HD3 . 50516 1 229 . 1 . 1 23 23 LYS HE2 H 1 2.802 0.020 . 2 . . . . . 23 LYS HE2 . 50516 1 230 . 1 . 1 23 23 LYS HE3 H 1 2.677 0.020 . 2 . . . . . 23 LYS HE3 . 50516 1 231 . 1 . 1 23 23 LYS C C 13 174.441 0.3 . 1 . . . . . 23 LYS C . 50516 1 232 . 1 . 1 23 23 LYS CA C 13 57.267 0.3 . 1 . . . . . 23 LYS CA . 50516 1 233 . 1 . 1 23 23 LYS CB C 13 35.773 0.3 . 1 . . . . . 23 LYS CB . 50516 1 234 . 1 . 1 23 23 LYS CG C 13 25.058 0.3 . 1 . . . . . 23 LYS CG . 50516 1 235 . 1 . 1 23 23 LYS CD C 13 27.702 0.3 . 1 . . . . . 23 LYS CD . 50516 1 236 . 1 . 1 23 23 LYS CE C 13 42.103 0.3 . 1 . . . . . 23 LYS CE . 50516 1 237 . 1 . 1 23 23 LYS N N 15 118.177 0.3 . 1 . . . . . 23 LYS N . 50516 1 238 . 1 . 1 24 24 LEU H H 1 8.232 0.020 . 1 . . . . . 24 LEU H . 50516 1 239 . 1 . 1 24 24 LEU HA H 1 4.132 0.020 . 1 . . . . . 24 LEU HA . 50516 1 240 . 1 . 1 24 24 LEU HB2 H 1 1.431 0.020 . 2 . . . . . 24 LEU HB2 . 50516 1 241 . 1 . 1 24 24 LEU HB3 H 1 1.642 0.020 . 2 . . . . . 24 LEU HB3 . 50516 1 242 . 1 . 1 24 24 LEU HG H 1 0.968 0.020 . 1 . . . . . 24 LEU HG . 50516 1 243 . 1 . 1 24 24 LEU HD11 H 1 0.605 0.020 . 2 . . . . . 24 LEU HD1 . 50516 1 244 . 1 . 1 24 24 LEU HD12 H 1 0.605 0.020 . 2 . . . . . 24 LEU HD1 . 50516 1 245 . 1 . 1 24 24 LEU HD13 H 1 0.605 0.020 . 2 . . . . . 24 LEU HD1 . 50516 1 246 . 1 . 1 24 24 LEU HD21 H 1 0.571 0.020 . 1 . . . . . 24 LEU HD2 . 50516 1 247 . 1 . 1 24 24 LEU HD22 H 1 0.571 0.020 . 1 . . . . . 24 LEU HD2 . 50516 1 248 . 1 . 1 24 24 LEU HD23 H 1 0.571 0.020 . 1 . . . . . 24 LEU HD2 . 50516 1 249 . 1 . 1 24 24 LEU C C 13 175.756 0.3 . 1 . . . . . 24 LEU C . 50516 1 250 . 1 . 1 24 24 LEU CA C 13 54.652 0.3 . 1 . . . . . 24 LEU CA . 50516 1 251 . 1 . 1 24 24 LEU CB C 13 42.632 0.3 . 1 . . . . . 24 LEU CB . 50516 1 252 . 1 . 1 24 24 LEU CG C 13 26.855 0.3 . 1 . . . . . 24 LEU CG . 50516 1 253 . 1 . 1 24 24 LEU CD1 C 13 26.387 0.3 . 1 . . . . . 24 LEU CD1 . 50516 1 254 . 1 . 1 24 24 LEU CD2 C 13 24.826 0.3 . 1 . . . . . 24 LEU CD2 . 50516 1 255 . 1 . 1 24 24 LEU N N 15 124.476 0.3 . 1 . . . . . 24 LEU N . 50516 1 256 . 1 . 1 25 25 MET H H 1 9.077 0.020 . 1 . . . . . 25 MET H . 50516 1 257 . 1 . 1 25 25 MET HA H 1 5.985 0.020 . 1 . . . . . 25 MET HA . 50516 1 258 . 1 . 1 25 25 MET HB2 H 1 1.353 0.020 . 1 . . . . . 25 MET HB2 . 50516 1 259 . 1 . 1 25 25 MET HB3 H 1 1.353 0.020 . 1 . . . . . 25 MET HB3 . 50516 1 260 . 1 . 1 25 25 MET HG2 H 1 2.214 0.020 . 2 . . . . . 25 MET HG2 . 50516 1 261 . 1 . 1 25 25 MET HG3 H 1 2.921 0.020 . 2 . . . . . 25 MET HG3 . 50516 1 262 . 1 . 1 25 25 MET C C 13 174.685 0.3 . 1 . . . . . 25 MET C . 50516 1 263 . 1 . 1 25 25 MET CA C 13 52.009 0.3 . 1 . . . . . 25 MET CA . 50516 1 264 . 1 . 1 25 25 MET CB C 13 34.677 0.3 . 1 . . . . . 25 MET CB . 50516 1 265 . 1 . 1 25 25 MET CG C 13 32.658 0.3 . 1 . . . . . 25 MET CG . 50516 1 266 . 1 . 1 25 25 MET N N 15 128.960 0.3 . 1 . . . . . 25 MET N . 50516 1 267 . 1 . 1 26 26 PRO HA H 1 5.756 0.020 . 1 . . . . . 26 PRO HA . 50516 1 268 . 1 . 1 26 26 PRO HB2 H 1 2.390 0.020 . 2 . . . . . 26 PRO HB2 . 50516 1 269 . 1 . 1 26 26 PRO HB3 H 1 2.144 0.020 . 2 . . . . . 26 PRO HB3 . 50516 1 270 . 1 . 1 26 26 PRO HG2 H 1 1.585 0.020 . 2 . . . . . 26 PRO HG2 . 50516 1 271 . 1 . 1 26 26 PRO HG3 H 1 1.568 0.020 . 2 . . . . . 26 PRO HG3 . 50516 1 272 . 1 . 1 26 26 PRO HD2 H 1 4.474 0.020 . 2 . . . . . 26 PRO HD2 . 50516 1 273 . 1 . 1 26 26 PRO HD3 H 1 3.893 0.020 . 2 . . . . . 26 PRO HD3 . 50516 1 274 . 1 . 1 26 26 PRO C C 13 177.005 0.3 . 1 . . . . . 26 PRO C . 50516 1 275 . 1 . 1 26 26 PRO CA C 13 61.778 0.3 . 1 . . . . . 26 PRO CA . 50516 1 276 . 1 . 1 26 26 PRO CB C 13 32.545 0.3 . 1 . . . . . 26 PRO CB . 50516 1 277 . 1 . 1 26 26 PRO CG C 13 29.247 0.3 . 1 . . . . . 26 PRO CG . 50516 1 278 . 1 . 1 26 26 PRO CD C 13 52.064 0.3 . 1 . . . . . 26 PRO CD . 50516 1 279 . 1 . 1 27 27 VAL H H 1 9.349 0.020 . 1 . . . . . 27 VAL H . 50516 1 280 . 1 . 1 27 27 VAL HA H 1 4.137 0.020 . 1 . . . . . 27 VAL HA . 50516 1 281 . 1 . 1 27 27 VAL HB H 1 1.695 0.020 . 1 . . . . . 27 VAL HB . 50516 1 282 . 1 . 1 27 27 VAL HG11 H 1 0.875 0.020 . 1 . . . . . 27 VAL HG1 . 50516 1 283 . 1 . 1 27 27 VAL HG12 H 1 0.875 0.020 . 1 . . . . . 27 VAL HG1 . 50516 1 284 . 1 . 1 27 27 VAL HG13 H 1 0.875 0.020 . 1 . . . . . 27 VAL HG1 . 50516 1 285 . 1 . 1 27 27 VAL HG21 H 1 0.683 0.020 . 1 . . . . . 27 VAL HG2 . 50516 1 286 . 1 . 1 27 27 VAL HG22 H 1 0.683 0.020 . 1 . . . . . 27 VAL HG2 . 50516 1 287 . 1 . 1 27 27 VAL HG23 H 1 0.683 0.020 . 1 . . . . . 27 VAL HG2 . 50516 1 288 . 1 . 1 27 27 VAL C C 13 173.089 0.3 . 1 . . . . . 27 VAL C . 50516 1 289 . 1 . 1 27 27 VAL CA C 13 61.686 0.3 . 1 . . . . . 27 VAL CA . 50516 1 290 . 1 . 1 27 27 VAL CB C 13 36.921 0.3 . 1 . . . . . 27 VAL CB . 50516 1 291 . 1 . 1 27 27 VAL CG1 C 13 22.339 0.3 . 1 . . . . . 27 VAL CG1 . 50516 1 292 . 1 . 1 27 27 VAL CG2 C 13 21.470 0.3 . 1 . . . . . 27 VAL CG2 . 50516 1 293 . 1 . 1 27 27 VAL N N 15 126.122 0.3 . 1 . . . . . 27 VAL N . 50516 1 294 . 1 . 1 28 28 CYS H H 1 8.870 0.020 . 1 . . . . . 28 CYS H . 50516 1 295 . 1 . 1 28 28 CYS HA H 1 3.483 0.020 . 1 . . . . . 28 CYS HA . 50516 1 296 . 1 . 1 28 28 CYS HB2 H 1 2.919 0.020 . 2 . . . . . 28 CYS HB2 . 50516 1 297 . 1 . 1 28 28 CYS HB3 H 1 2.605 0.020 . 2 . . . . . 28 CYS HB3 . 50516 1 298 . 1 . 1 28 28 CYS C C 13 175.942 0.3 . 1 . . . . . 28 CYS C . 50516 1 299 . 1 . 1 28 28 CYS CA C 13 56.879 0.3 . 1 . . . . . 28 CYS CA . 50516 1 300 . 1 . 1 28 28 CYS CB C 13 27.006 0.3 . 1 . . . . . 28 CYS CB . 50516 1 301 . 1 . 1 28 28 CYS N N 15 128.446 0.3 . 1 . . . . . 28 CYS N . 50516 1 302 . 1 . 1 29 29 VAL H H 1 8.787 0.020 . 1 . . . . . 29 VAL H . 50516 1 303 . 1 . 1 29 29 VAL HA H 1 3.598 0.020 . 1 . . . . . 29 VAL HA . 50516 1 304 . 1 . 1 29 29 VAL HB H 1 1.939 0.020 . 1 . . . . . 29 VAL HB . 50516 1 305 . 1 . 1 29 29 VAL HG11 H 1 0.642 0.020 . 1 . . . . . 29 VAL HG1 . 50516 1 306 . 1 . 1 29 29 VAL HG12 H 1 0.642 0.020 . 1 . . . . . 29 VAL HG1 . 50516 1 307 . 1 . 1 29 29 VAL HG13 H 1 0.642 0.020 . 1 . . . . . 29 VAL HG1 . 50516 1 308 . 1 . 1 29 29 VAL HG21 H 1 0.661 0.020 . 1 . . . . . 29 VAL HG2 . 50516 1 309 . 1 . 1 29 29 VAL HG22 H 1 0.661 0.020 . 1 . . . . . 29 VAL HG2 . 50516 1 310 . 1 . 1 29 29 VAL HG23 H 1 0.661 0.020 . 1 . . . . . 29 VAL HG2 . 50516 1 311 . 1 . 1 29 29 VAL C C 13 175.372 0.3 . 1 . . . . . 29 VAL C . 50516 1 312 . 1 . 1 29 29 VAL CA C 13 63.871 0.3 . 1 . . . . . 29 VAL CA . 50516 1 313 . 1 . 1 29 29 VAL CB C 13 31.103 0.3 . 1 . . . . . 29 VAL CB . 50516 1 314 . 1 . 1 29 29 VAL CG1 C 13 22.216 0.3 . 1 . . . . . 29 VAL CG1 . 50516 1 315 . 1 . 1 29 29 VAL CG2 C 13 19.571 0.3 . 1 . . . . . 29 VAL CG2 . 50516 1 316 . 1 . 1 29 29 VAL N N 15 124.265 0.3 . 1 . . . . . 29 VAL N . 50516 1 317 . 1 . 1 30 30 GLU H H 1 7.553 0.020 . 1 . . . . . 30 GLU H . 50516 1 318 . 1 . 1 30 30 GLU HA H 1 4.050 0.020 . 1 . . . . . 30 GLU HA . 50516 1 319 . 1 . 1 30 30 GLU HB2 H 1 2.114 0.020 . 2 . . . . . 30 GLU HB2 . 50516 1 320 . 1 . 1 30 30 GLU HB3 H 1 1.886 0.020 . 2 . . . . . 30 GLU HB3 . 50516 1 321 . 1 . 1 30 30 GLU HG2 H 1 2.378 0.020 . 2 . . . . . 30 GLU HG2 . 50516 1 322 . 1 . 1 30 30 GLU HG3 H 1 1.994 0.020 . 2 . . . . . 30 GLU HG3 . 50516 1 323 . 1 . 1 30 30 GLU C C 13 177.015 0.3 . 1 . . . . . 30 GLU C . 50516 1 324 . 1 . 1 30 30 GLU CA C 13 57.458 0.3 . 1 . . . . . 30 GLU CA . 50516 1 325 . 1 . 1 30 30 GLU CB C 13 28.993 0.3 . 1 . . . . . 30 GLU CB . 50516 1 326 . 1 . 1 30 30 GLU CG C 13 37.243 0.3 . 1 . . . . . 30 GLU CG . 50516 1 327 . 1 . 1 30 30 GLU N N 15 116.879 0.3 . 1 . . . . . 30 GLU N . 50516 1 328 . 1 . 1 31 31 THR H H 1 7.872 0.020 . 1 . . . . . 31 THR H . 50516 1 329 . 1 . 1 31 31 THR HA H 1 4.297 0.020 . 1 . . . . . 31 THR HA . 50516 1 330 . 1 . 1 31 31 THR HB H 1 4.266 0.020 . 1 . . . . . 31 THR HB . 50516 1 331 . 1 . 1 31 31 THR HG21 H 1 1.273 0.020 . 1 . . . . . 31 THR HG2 . 50516 1 332 . 1 . 1 31 31 THR HG22 H 1 1.273 0.020 . 1 . . . . . 31 THR HG2 . 50516 1 333 . 1 . 1 31 31 THR HG23 H 1 1.273 0.020 . 1 . . . . . 31 THR HG2 . 50516 1 334 . 1 . 1 31 31 THR C C 13 174.823 0.3 . 1 . . . . . 31 THR C . 50516 1 335 . 1 . 1 31 31 THR CA C 13 61.266 0.3 . 1 . . . . . 31 THR CA . 50516 1 336 . 1 . 1 31 31 THR CB C 13 66.735 0.3 . 1 . . . . . 31 THR CB . 50516 1 337 . 1 . 1 31 31 THR CG2 C 13 23.687 0.3 . 1 . . . . . 31 THR CG2 . 50516 1 338 . 1 . 1 31 31 THR N N 15 117.654 0.3 . 1 . . . . . 31 THR N . 50516 1 339 . 1 . 1 32 32 LYS H H 1 8.112 0.020 . 1 . . . . . 32 LYS H . 50516 1 340 . 1 . 1 32 32 LYS HA H 1 3.749 0.020 . 1 . . . . . 32 LYS HA . 50516 1 341 . 1 . 1 32 32 LYS HB2 H 1 1.752 0.020 . 1 . . . . . 32 LYS HB2 . 50516 1 342 . 1 . 1 32 32 LYS HB3 H 1 1.752 0.020 . 1 . . . . . 32 LYS HB3 . 50516 1 343 . 1 . 1 32 32 LYS HG2 H 1 1.348 0.020 . 2 . . . . . 32 LYS HG2 . 50516 1 344 . 1 . 1 32 32 LYS HG3 H 1 1.460 0.020 . 2 . . . . . 32 LYS HG3 . 50516 1 345 . 1 . 1 32 32 LYS HD2 H 1 1.573 0.020 . 1 . . . . . 32 LYS HD2 . 50516 1 346 . 1 . 1 32 32 LYS HD3 H 1 1.573 0.020 . 1 . . . . . 32 LYS HD3 . 50516 1 347 . 1 . 1 32 32 LYS HE2 H 1 2.971 0.020 . 1 . . . . . 32 LYS HE2 . 50516 1 348 . 1 . 1 32 32 LYS HE3 H 1 2.971 0.020 . 1 . . . . . 32 LYS HE3 . 50516 1 349 . 1 . 1 32 32 LYS C C 13 178.323 0.3 . 1 . . . . . 32 LYS C . 50516 1 350 . 1 . 1 32 32 LYS CA C 13 59.980 0.3 . 1 . . . . . 32 LYS CA . 50516 1 351 . 1 . 1 32 32 LYS CB C 13 32.112 0.3 . 1 . . . . . 32 LYS CB . 50516 1 352 . 1 . 1 32 32 LYS CG C 13 24.860 0.3 . 1 . . . . . 32 LYS CG . 50516 1 353 . 1 . 1 32 32 LYS CD C 13 28.976 0.3 . 1 . . . . . 32 LYS CD . 50516 1 354 . 1 . 1 32 32 LYS CE C 13 43.244 0.3 . 1 . . . . . 32 LYS CE . 50516 1 355 . 1 . 1 32 32 LYS N N 15 129.501 0.3 . 1 . . . . . 32 LYS N . 50516 1 356 . 1 . 1 33 33 ALA HA H 1 4.032 0.020 . 1 . . . . . 33 ALA HA . 50516 1 357 . 1 . 1 33 33 ALA HB1 H 1 1.353 0.020 . 1 . . . . . 33 ALA HB . 50516 1 358 . 1 . 1 33 33 ALA HB2 H 1 1.353 0.020 . 1 . . . . . 33 ALA HB . 50516 1 359 . 1 . 1 33 33 ALA HB3 H 1 1.353 0.020 . 1 . . . . . 33 ALA HB . 50516 1 360 . 1 . 1 33 33 ALA C C 13 180.317 0.3 . 1 . . . . . 33 ALA C . 50516 1 361 . 1 . 1 33 33 ALA CA C 13 55.332 0.3 . 1 . . . . . 33 ALA CA . 50516 1 362 . 1 . 1 33 33 ALA CB C 13 18.486 0.3 . 1 . . . . . 33 ALA CB . 50516 1 363 . 1 . 1 34 34 ILE H H 1 7.080 0.020 . 1 . . . . . 34 ILE H . 50516 1 364 . 1 . 1 34 34 ILE HA H 1 3.764 0.020 . 1 . . . . . 34 ILE HA . 50516 1 365 . 1 . 1 34 34 ILE HB H 1 1.805 0.020 . 1 . . . . . 34 ILE HB . 50516 1 366 . 1 . 1 34 34 ILE HG12 H 1 1.121 0.020 . 2 . . . . . 34 ILE HG12 . 50516 1 367 . 1 . 1 34 34 ILE HG13 H 1 1.681 0.020 . 2 . . . . . 34 ILE HG13 . 50516 1 368 . 1 . 1 34 34 ILE HG21 H 1 0.953 0.020 . 1 . . . . . 34 ILE HG2 . 50516 1 369 . 1 . 1 34 34 ILE HG22 H 1 0.953 0.020 . 1 . . . . . 34 ILE HG2 . 50516 1 370 . 1 . 1 34 34 ILE HG23 H 1 0.953 0.020 . 1 . . . . . 34 ILE HG2 . 50516 1 371 . 1 . 1 34 34 ILE HD11 H 1 1.036 0.020 . 1 . . . . . 34 ILE HD1 . 50516 1 372 . 1 . 1 34 34 ILE HD12 H 1 1.036 0.020 . 1 . . . . . 34 ILE HD1 . 50516 1 373 . 1 . 1 34 34 ILE HD13 H 1 1.036 0.020 . 1 . . . . . 34 ILE HD1 . 50516 1 374 . 1 . 1 34 34 ILE C C 13 177.422 0.3 . 1 . . . . . 34 ILE C . 50516 1 375 . 1 . 1 34 34 ILE CA C 13 64.571 0.3 . 1 . . . . . 34 ILE CA . 50516 1 376 . 1 . 1 34 34 ILE CB C 13 38.283 0.3 . 1 . . . . . 34 ILE CB . 50516 1 377 . 1 . 1 34 34 ILE CG1 C 13 28.337 0.3 . 1 . . . . . 34 ILE CG1 . 50516 1 378 . 1 . 1 34 34 ILE CG2 C 13 17.769 0.3 . 1 . . . . . 34 ILE CG2 . 50516 1 379 . 1 . 1 34 34 ILE CD1 C 13 13.678 0.3 . 1 . . . . . 34 ILE CD1 . 50516 1 380 . 1 . 1 34 34 ILE N N 15 115.906 0.3 . 1 . . . . . 34 ILE N . 50516 1 381 . 1 . 1 35 35 VAL H H 1 7.534 0.020 . 1 . . . . . 35 VAL H . 50516 1 382 . 1 . 1 35 35 VAL HA H 1 3.225 0.020 . 1 . . . . . 35 VAL HA . 50516 1 383 . 1 . 1 35 35 VAL HB H 1 1.802 0.020 . 1 . . . . . 35 VAL HB . 50516 1 384 . 1 . 1 35 35 VAL HG11 H 1 0.830 0.020 . 1 . . . . . 35 VAL HG1 . 50516 1 385 . 1 . 1 35 35 VAL HG12 H 1 0.830 0.020 . 1 . . . . . 35 VAL HG1 . 50516 1 386 . 1 . 1 35 35 VAL HG13 H 1 0.830 0.020 . 1 . . . . . 35 VAL HG1 . 50516 1 387 . 1 . 1 35 35 VAL HG21 H 1 0.669 0.020 . 1 . . . . . 35 VAL HG2 . 50516 1 388 . 1 . 1 35 35 VAL HG22 H 1 0.669 0.020 . 1 . . . . . 35 VAL HG2 . 50516 1 389 . 1 . 1 35 35 VAL HG23 H 1 0.669 0.020 . 1 . . . . . 35 VAL HG2 . 50516 1 390 . 1 . 1 35 35 VAL C C 13 177.527 0.3 . 1 . . . . . 35 VAL C . 50516 1 391 . 1 . 1 35 35 VAL CA C 13 67.752 0.3 . 1 . . . . . 35 VAL CA . 50516 1 392 . 1 . 1 35 35 VAL CB C 13 31.628 0.3 . 1 . . . . . 35 VAL CB . 50516 1 393 . 1 . 1 35 35 VAL CG1 C 13 23.019 0.3 . 1 . . . . . 35 VAL CG1 . 50516 1 394 . 1 . 1 35 35 VAL CG2 C 13 21.424 0.3 . 1 . . . . . 35 VAL CG2 . 50516 1 395 . 1 . 1 35 35 VAL N N 15 119.535 0.3 . 1 . . . . . 35 VAL N . 50516 1 396 . 1 . 1 36 36 SER H H 1 8.666 0.020 . 1 . . . . . 36 SER H . 50516 1 397 . 1 . 1 36 36 SER HA H 1 4.212 0.020 . 1 . . . . . 36 SER HA . 50516 1 398 . 1 . 1 36 36 SER HB2 H 1 3.820 0.020 . 1 . . . . . 36 SER HB2 . 50516 1 399 . 1 . 1 36 36 SER HB3 H 1 3.820 0.020 . 1 . . . . . 36 SER HB3 . 50516 1 400 . 1 . 1 36 36 SER C C 13 177.602 0.3 . 1 . . . . . 36 SER C . 50516 1 401 . 1 . 1 36 36 SER CA C 13 61.636 0.3 . 1 . . . . . 36 SER CA . 50516 1 402 . 1 . 1 36 36 SER CB C 13 62.802 0.3 . 1 . . . . . 36 SER CB . 50516 1 403 . 1 . 1 36 36 SER N N 15 113.550 0.3 . 1 . . . . . 36 SER N . 50516 1 404 . 1 . 1 37 37 THR H H 1 7.252 0.020 . 1 . . . . . 37 THR H . 50516 1 405 . 1 . 1 37 37 THR HA H 1 3.798 0.020 . 1 . . . . . 37 THR HA . 50516 1 406 . 1 . 1 37 37 THR HB H 1 4.290 0.020 . 1 . . . . . 37 THR HB . 50516 1 407 . 1 . 1 37 37 THR HG21 H 1 1.053 0.020 . 1 . . . . . 37 THR HG2 . 50516 1 408 . 1 . 1 37 37 THR HG22 H 1 1.053 0.020 . 1 . . . . . 37 THR HG2 . 50516 1 409 . 1 . 1 37 37 THR HG23 H 1 1.053 0.020 . 1 . . . . . 37 THR HG2 . 50516 1 410 . 1 . 1 37 37 THR C C 13 176.358 0.3 . 1 . . . . . 37 THR C . 50516 1 411 . 1 . 1 37 37 THR CA C 13 67.247 0.3 . 1 . . . . . 37 THR CA . 50516 1 412 . 1 . 1 37 37 THR CB C 13 68.368 0.3 . 1 . . . . . 37 THR CB . 50516 1 413 . 1 . 1 37 37 THR CG2 C 13 21.081 0.3 . 1 . . . . . 37 THR CG2 . 50516 1 414 . 1 . 1 37 37 THR N N 15 119.126 0.3 . 1 . . . . . 37 THR N . 50516 1 415 . 1 . 1 38 38 ILE H H 1 8.092 0.020 . 1 . . . . . 38 ILE H . 50516 1 416 . 1 . 1 38 38 ILE HA H 1 3.535 0.020 . 1 . . . . . 38 ILE HA . 50516 1 417 . 1 . 1 38 38 ILE HB H 1 1.904 0.020 . 1 . . . . . 38 ILE HB . 50516 1 418 . 1 . 1 38 38 ILE HG12 H 1 1.013 0.020 . 2 . . . . . 38 ILE HG12 . 50516 1 419 . 1 . 1 38 38 ILE HG13 H 1 1.829 0.020 . 2 . . . . . 38 ILE HG13 . 50516 1 420 . 1 . 1 38 38 ILE HG21 H 1 0.819 0.020 . 1 . . . . . 38 ILE HG2 . 50516 1 421 . 1 . 1 38 38 ILE HG22 H 1 0.819 0.020 . 1 . . . . . 38 ILE HG2 . 50516 1 422 . 1 . 1 38 38 ILE HG23 H 1 0.819 0.020 . 1 . . . . . 38 ILE HG2 . 50516 1 423 . 1 . 1 38 38 ILE HD11 H 1 0.554 0.020 . 1 . . . . . 38 ILE HD1 . 50516 1 424 . 1 . 1 38 38 ILE HD12 H 1 0.554 0.020 . 1 . . . . . 38 ILE HD1 . 50516 1 425 . 1 . 1 38 38 ILE HD13 H 1 0.554 0.020 . 1 . . . . . 38 ILE HD1 . 50516 1 426 . 1 . 1 38 38 ILE C C 13 176.861 0.3 . 1 . . . . . 38 ILE C . 50516 1 427 . 1 . 1 38 38 ILE CA C 13 66.787 0.3 . 1 . . . . . 38 ILE CA . 50516 1 428 . 1 . 1 38 38 ILE CB C 13 38.447 0.3 . 1 . . . . . 38 ILE CB . 50516 1 429 . 1 . 1 38 38 ILE CG1 C 13 30.478 0.3 . 1 . . . . . 38 ILE CG1 . 50516 1 430 . 1 . 1 38 38 ILE CG2 C 13 18.035 0.3 . 1 . . . . . 38 ILE CG2 . 50516 1 431 . 1 . 1 38 38 ILE CD1 C 13 16.185 0.3 . 1 . . . . . 38 ILE CD1 . 50516 1 432 . 1 . 1 38 38 ILE N N 15 123.091 0.3 . 1 . . . . . 38 ILE N . 50516 1 433 . 1 . 1 39 39 GLN H H 1 8.507 0.020 . 1 . . . . . 39 GLN H . 50516 1 434 . 1 . 1 39 39 GLN HA H 1 3.808 0.020 . 1 . . . . . 39 GLN HA . 50516 1 435 . 1 . 1 39 39 GLN HB2 H 1 2.091 0.020 . 2 . . . . . 39 GLN HB2 . 50516 1 436 . 1 . 1 39 39 GLN HB3 H 1 1.864 0.020 . 2 . . . . . 39 GLN HB3 . 50516 1 437 . 1 . 1 39 39 GLN HG2 H 1 2.330 0.020 . 2 . . . . . 39 GLN HG2 . 50516 1 438 . 1 . 1 39 39 GLN HG3 H 1 2.032 0.020 . 2 . . . . . 39 GLN HG3 . 50516 1 439 . 1 . 1 39 39 GLN C C 13 177.529 0.3 . 1 . . . . . 39 GLN C . 50516 1 440 . 1 . 1 39 39 GLN CA C 13 58.920 0.3 . 1 . . . . . 39 GLN CA . 50516 1 441 . 1 . 1 39 39 GLN CB C 13 29.140 0.3 . 1 . . . . . 39 GLN CB . 50516 1 442 . 1 . 1 39 39 GLN CG C 13 35.271 0.3 . 1 . . . . . 39 GLN CG . 50516 1 443 . 1 . 1 39 39 GLN N N 15 116.792 0.3 . 1 . . . . . 39 GLN N . 50516 1 444 . 1 . 1 40 40 ARG H H 1 7.488 0.020 . 1 . . . . . 40 ARG H . 50516 1 445 . 1 . 1 40 40 ARG HA H 1 4.031 0.020 . 1 . . . . . 40 ARG HA . 50516 1 446 . 1 . 1 40 40 ARG HB2 H 1 1.776 0.020 . 2 . . . . . 40 ARG HB2 . 50516 1 447 . 1 . 1 40 40 ARG HB3 H 1 1.796 0.020 . 2 . . . . . 40 ARG HB3 . 50516 1 448 . 1 . 1 40 40 ARG HG2 H 1 1.534 0.020 . 1 . . . . . 40 ARG HG2 . 50516 1 449 . 1 . 1 40 40 ARG HG3 H 1 1.534 0.020 . 1 . . . . . 40 ARG HG3 . 50516 1 450 . 1 . 1 40 40 ARG HD2 H 1 3.096 0.020 . 1 . . . . . 40 ARG HD2 . 50516 1 451 . 1 . 1 40 40 ARG HD3 H 1 3.096 0.020 . 1 . . . . . 40 ARG HD3 . 50516 1 452 . 1 . 1 40 40 ARG C C 13 177.233 0.3 . 1 . . . . . 40 ARG C . 50516 1 453 . 1 . 1 40 40 ARG CA C 13 58.017 0.3 . 1 . . . . . 40 ARG CA . 50516 1 454 . 1 . 1 40 40 ARG CB C 13 30.488 0.3 . 1 . . . . . 40 ARG CB . 50516 1 455 . 1 . 1 40 40 ARG CG C 13 27.691 0.3 . 1 . . . . . 40 ARG CG . 50516 1 456 . 1 . 1 40 40 ARG CD C 13 43.352 0.3 . 1 . . . . . 40 ARG CD . 50516 1 457 . 1 . 1 40 40 ARG N N 15 115.966 0.3 . 1 . . . . . 40 ARG N . 50516 1 458 . 1 . 1 41 41 LYS H H 1 7.821 0.020 . 1 . . . . . 41 LYS H . 50516 1 459 . 1 . 1 41 41 LYS HA H 1 3.876 0.020 . 1 . . . . . 41 LYS HA . 50516 1 460 . 1 . 1 41 41 LYS HB2 H 1 1.443 0.020 . 2 . . . . . 41 LYS HB2 . 50516 1 461 . 1 . 1 41 41 LYS HB3 H 1 1.164 0.020 . 2 . . . . . 41 LYS HB3 . 50516 1 462 . 1 . 1 41 41 LYS HG2 H 1 0.538 0.020 . 2 . . . . . 41 LYS HG2 . 50516 1 463 . 1 . 1 41 41 LYS HG3 H 1 0.841 0.020 . 2 . . . . . 41 LYS HG3 . 50516 1 464 . 1 . 1 41 41 LYS HD2 H 1 1.369 0.020 . 2 . . . . . 41 LYS HD2 . 50516 1 465 . 1 . 1 41 41 LYS HD3 H 1 1.271 0.020 . 2 . . . . . 41 LYS HD3 . 50516 1 466 . 1 . 1 41 41 LYS HE2 H 1 2.794 0.020 . 1 . . . . . 41 LYS HE2 . 50516 1 467 . 1 . 1 41 41 LYS HE3 H 1 2.794 0.020 . 1 . . . . . 41 LYS HE3 . 50516 1 468 . 1 . 1 41 41 LYS C C 13 176.857 0.3 . 1 . . . . . 41 LYS C . 50516 1 469 . 1 . 1 41 41 LYS CA C 13 58.305 0.3 . 1 . . . . . 41 LYS CA . 50516 1 470 . 1 . 1 41 41 LYS CB C 13 33.167 0.3 . 1 . . . . . 41 LYS CB . 50516 1 471 . 1 . 1 41 41 LYS CG C 13 24.891 0.3 . 1 . . . . . 41 LYS CG . 50516 1 472 . 1 . 1 41 41 LYS CD C 13 28.994 0.3 . 1 . . . . . 41 LYS CD . 50516 1 473 . 1 . 1 41 41 LYS CE C 13 42.106 0.3 . 1 . . . . . 41 LYS CE . 50516 1 474 . 1 . 1 41 41 LYS N N 15 119.343 0.3 . 1 . . . . . 41 LYS N . 50516 1 475 . 1 . 1 42 42 TYR H H 1 8.243 0.020 . 1 . . . . . 42 TYR H . 50516 1 476 . 1 . 1 42 42 TYR HA H 1 4.917 0.020 . 1 . . . . . 42 TYR HA . 50516 1 477 . 1 . 1 42 42 TYR HB2 H 1 3.035 0.020 . 2 . . . . . 42 TYR HB2 . 50516 1 478 . 1 . 1 42 42 TYR HB3 H 1 3.009 0.020 . 2 . . . . . 42 TYR HB3 . 50516 1 479 . 1 . 1 42 42 TYR C C 13 174.265 0.3 . 1 . . . . . 42 TYR C . 50516 1 480 . 1 . 1 42 42 TYR CA C 13 54.727 0.3 . 1 . . . . . 42 TYR CA . 50516 1 481 . 1 . 1 42 42 TYR CB C 13 36.586 0.3 . 1 . . . . . 42 TYR CB . 50516 1 482 . 1 . 1 42 42 TYR N N 15 120.909 0.3 . 1 . . . . . 42 TYR N . 50516 1 483 . 1 . 1 43 43 LYS H H 1 7.587 0.020 . 1 . . . . . 43 LYS H . 50516 1 484 . 1 . 1 43 43 LYS HA H 1 4.108 0.020 . 1 . . . . . 43 LYS HA . 50516 1 485 . 1 . 1 43 43 LYS HB2 H 1 1.775 0.020 . 2 . . . . . 43 LYS HB2 . 50516 1 486 . 1 . 1 43 43 LYS HB3 H 1 1.727 0.020 . 2 . . . . . 43 LYS HB3 . 50516 1 487 . 1 . 1 43 43 LYS HG2 H 1 1.454 0.020 . 2 . . . . . 43 LYS HG2 . 50516 1 488 . 1 . 1 43 43 LYS HG3 H 1 1.378 0.020 . 2 . . . . . 43 LYS HG3 . 50516 1 489 . 1 . 1 43 43 LYS HD2 H 1 1.665 0.020 . 2 . . . . . 43 LYS HD2 . 50516 1 490 . 1 . 1 43 43 LYS HD3 H 1 1.682 0.020 . 2 . . . . . 43 LYS HD3 . 50516 1 491 . 1 . 1 43 43 LYS HE2 H 1 2.969 0.020 . 1 . . . . . 43 LYS HE2 . 50516 1 492 . 1 . 1 43 43 LYS HE3 H 1 2.969 0.020 . 1 . . . . . 43 LYS HE3 . 50516 1 493 . 1 . 1 43 43 LYS C C 13 179.399 0.3 . 1 . . . . . 43 LYS C . 50516 1 494 . 1 . 1 43 43 LYS CA C 13 58.540 0.3 . 1 . . . . . 43 LYS CA . 50516 1 495 . 1 . 1 43 43 LYS CB C 13 32.042 0.3 . 1 . . . . . 43 LYS CB . 50516 1 496 . 1 . 1 43 43 LYS CG C 13 24.790 0.3 . 1 . . . . . 43 LYS CG . 50516 1 497 . 1 . 1 43 43 LYS CD C 13 29.258 0.3 . 1 . . . . . 43 LYS CD . 50516 1 498 . 1 . 1 43 43 LYS CE C 13 42.172 0.3 . 1 . . . . . 43 LYS CE . 50516 1 499 . 1 . 1 43 43 LYS N N 15 120.136 0.3 . 1 . . . . . 43 LYS N . 50516 1 500 . 1 . 1 44 44 GLY HA2 H 1 4.224 0.020 . 2 . . . . . 44 GLY HA1 . 50516 1 501 . 1 . 1 44 44 GLY HA3 H 1 3.602 0.020 . 2 . . . . . 44 GLY HA2 . 50516 1 502 . 1 . 1 44 44 GLY C C 13 174.170 0.3 . 1 . . . . . 44 GLY C . 50516 1 503 . 1 . 1 44 44 GLY CA C 13 44.924 0.3 . 1 . . . . . 44 GLY CA . 50516 1 504 . 1 . 1 45 45 ILE H H 1 7.785 0.020 . 1 . . . . . 45 ILE H . 50516 1 505 . 1 . 1 45 45 ILE HA H 1 2.506 0.020 . 1 . . . . . 45 ILE HA . 50516 1 506 . 1 . 1 45 45 ILE HB H 1 1.871 0.020 . 1 . . . . . 45 ILE HB . 50516 1 507 . 1 . 1 45 45 ILE HG12 H 1 0.699 0.020 . 2 . . . . . 45 ILE HG12 . 50516 1 508 . 1 . 1 45 45 ILE HG13 H 1 1.156 0.020 . 2 . . . . . 45 ILE HG13 . 50516 1 509 . 1 . 1 45 45 ILE HG21 H 1 0.810 0.020 . 1 . . . . . 45 ILE HG2 . 50516 1 510 . 1 . 1 45 45 ILE HG22 H 1 0.810 0.020 . 1 . . . . . 45 ILE HG2 . 50516 1 511 . 1 . 1 45 45 ILE HG23 H 1 0.810 0.020 . 1 . . . . . 45 ILE HG2 . 50516 1 512 . 1 . 1 45 45 ILE HD11 H 1 1.026 0.020 . 1 . . . . . 45 ILE HD1 . 50516 1 513 . 1 . 1 45 45 ILE HD12 H 1 1.026 0.020 . 1 . . . . . 45 ILE HD1 . 50516 1 514 . 1 . 1 45 45 ILE HD13 H 1 1.026 0.020 . 1 . . . . . 45 ILE HD1 . 50516 1 515 . 1 . 1 45 45 ILE C C 13 172.960 0.3 . 1 . . . . . 45 ILE C . 50516 1 516 . 1 . 1 45 45 ILE CA C 13 62.212 0.3 . 1 . . . . . 45 ILE CA . 50516 1 517 . 1 . 1 45 45 ILE CB C 13 38.295 0.3 . 1 . . . . . 45 ILE CB . 50516 1 518 . 1 . 1 45 45 ILE CG1 C 13 29.420 0.3 . 1 . . . . . 45 ILE CG1 . 50516 1 519 . 1 . 1 45 45 ILE CG2 C 13 16.134 0.3 . 1 . . . . . 45 ILE CG2 . 50516 1 520 . 1 . 1 45 45 ILE CD1 C 13 14.813 0.3 . 1 . . . . . 45 ILE CD1 . 50516 1 521 . 1 . 1 45 45 ILE N N 15 122.628 0.3 . 1 . . . . . 45 ILE N . 50516 1 522 . 1 . 1 46 46 LYS H H 1 7.833 0.020 . 1 . . . . . 46 LYS H . 50516 1 523 . 1 . 1 46 46 LYS HA H 1 4.275 0.020 . 1 . . . . . 46 LYS HA . 50516 1 524 . 1 . 1 46 46 LYS HB2 H 1 1.550 0.020 . 2 . . . . . 46 LYS HB2 . 50516 1 525 . 1 . 1 46 46 LYS HB3 H 1 1.475 0.020 . 2 . . . . . 46 LYS HB3 . 50516 1 526 . 1 . 1 46 46 LYS HG2 H 1 1.055 0.020 . 2 . . . . . 46 LYS HG2 . 50516 1 527 . 1 . 1 46 46 LYS HG3 H 1 1.199 0.020 . 2 . . . . . 46 LYS HG3 . 50516 1 528 . 1 . 1 46 46 LYS HD2 H 1 1.502 0.020 . 1 . . . . . 46 LYS HD2 . 50516 1 529 . 1 . 1 46 46 LYS HD3 H 1 1.502 0.020 . 1 . . . . . 46 LYS HD3 . 50516 1 530 . 1 . 1 46 46 LYS HE2 H 1 2.836 0.020 . 1 . . . . . 46 LYS HE2 . 50516 1 531 . 1 . 1 46 46 LYS HE3 H 1 2.836 0.020 . 1 . . . . . 46 LYS HE3 . 50516 1 532 . 1 . 1 46 46 LYS C C 13 174.718 0.3 . 1 . . . . . 46 LYS C . 50516 1 533 . 1 . 1 46 46 LYS CA C 13 54.221 0.3 . 1 . . . . . 46 LYS CA . 50516 1 534 . 1 . 1 46 46 LYS CB C 13 31.990 0.3 . 1 . . . . . 46 LYS CB . 50516 1 535 . 1 . 1 46 46 LYS CG C 13 24.606 0.3 . 1 . . . . . 46 LYS CG . 50516 1 536 . 1 . 1 46 46 LYS CD C 13 28.953 0.3 . 1 . . . . . 46 LYS CD . 50516 1 537 . 1 . 1 46 46 LYS CE C 13 42.276 0.3 . 1 . . . . . 46 LYS CE . 50516 1 538 . 1 . 1 46 46 LYS N N 15 128.564 0.3 . 1 . . . . . 46 LYS N . 50516 1 539 . 1 . 1 47 47 ILE H H 1 8.193 0.020 . 1 . . . . . 47 ILE H . 50516 1 540 . 1 . 1 47 47 ILE HA H 1 2.984 0.020 . 1 . . . . . 47 ILE HA . 50516 1 541 . 1 . 1 47 47 ILE HB H 1 1.328 0.020 . 1 . . . . . 47 ILE HB . 50516 1 542 . 1 . 1 47 47 ILE HG12 H 1 0.529 0.020 . 2 . . . . . 47 ILE HG12 . 50516 1 543 . 1 . 1 47 47 ILE HG13 H 1 1.031 0.020 . 2 . . . . . 47 ILE HG13 . 50516 1 544 . 1 . 1 47 47 ILE HG21 H 1 -0.435 0.020 . 1 . . . . . 47 ILE HG2 . 50516 1 545 . 1 . 1 47 47 ILE HG22 H 1 -0.435 0.020 . 1 . . . . . 47 ILE HG2 . 50516 1 546 . 1 . 1 47 47 ILE HG23 H 1 -0.435 0.020 . 1 . . . . . 47 ILE HG2 . 50516 1 547 . 1 . 1 47 47 ILE HD11 H 1 0.247 0.020 . 1 . . . . . 47 ILE HD1 . 50516 1 548 . 1 . 1 47 47 ILE HD12 H 1 0.247 0.020 . 1 . . . . . 47 ILE HD1 . 50516 1 549 . 1 . 1 47 47 ILE HD13 H 1 0.247 0.020 . 1 . . . . . 47 ILE HD1 . 50516 1 550 . 1 . 1 47 47 ILE C C 13 174.717 0.3 . 1 . . . . . 47 ILE C . 50516 1 551 . 1 . 1 47 47 ILE CA C 13 62.047 0.3 . 1 . . . . . 47 ILE CA . 50516 1 552 . 1 . 1 47 47 ILE CB C 13 35.474 0.3 . 1 . . . . . 47 ILE CB . 50516 1 553 . 1 . 1 47 47 ILE CG1 C 13 27.045 0.3 . 1 . . . . . 47 ILE CG1 . 50516 1 554 . 1 . 1 47 47 ILE CG2 C 13 15.183 0.3 . 1 . . . . . 47 ILE CG2 . 50516 1 555 . 1 . 1 47 47 ILE CD1 C 13 12.406 0.3 . 1 . . . . . 47 ILE CD1 . 50516 1 556 . 1 . 1 47 47 ILE N N 15 124.931 0.3 . 1 . . . . . 47 ILE N . 50516 1 557 . 1 . 1 48 48 GLN H H 1 6.666 0.020 . 1 . . . . . 48 GLN H . 50516 1 558 . 1 . 1 48 48 GLN HA H 1 4.248 0.020 . 1 . . . . . 48 GLN HA . 50516 1 559 . 1 . 1 48 48 GLN HB2 H 1 1.904 0.020 . 2 . . . . . 48 GLN HB2 . 50516 1 560 . 1 . 1 48 48 GLN HB3 H 1 1.749 0.020 . 2 . . . . . 48 GLN HB3 . 50516 1 561 . 1 . 1 48 48 GLN HG2 H 1 1.941 0.020 . 2 . . . . . 48 GLN HG2 . 50516 1 562 . 1 . 1 48 48 GLN HG3 H 1 2.014 0.020 . 2 . . . . . 48 GLN HG3 . 50516 1 563 . 1 . 1 48 48 GLN C C 13 172.265 0.3 . 1 . . . . . 48 GLN C . 50516 1 564 . 1 . 1 48 48 GLN CA C 13 53.090 0.3 . 1 . . . . . 48 GLN CA . 50516 1 565 . 1 . 1 48 48 GLN CB C 13 31.090 0.3 . 1 . . . . . 48 GLN CB . 50516 1 566 . 1 . 1 48 48 GLN CG C 13 32.198 0.3 . 1 . . . . . 48 GLN CG . 50516 1 567 . 1 . 1 48 48 GLN N N 15 124.513 0.3 . 1 . . . . . 48 GLN N . 50516 1 568 . 1 . 1 49 49 GLU H H 1 8.265 0.020 . 1 . . . . . 49 GLU H . 50516 1 569 . 1 . 1 49 49 GLU HA H 1 3.714 0.020 . 1 . . . . . 49 GLU HA . 50516 1 570 . 1 . 1 49 49 GLU HB2 H 1 1.976 0.020 . 2 . . . . . 49 GLU HB2 . 50516 1 571 . 1 . 1 49 49 GLU HB3 H 1 1.760 0.020 . 2 . . . . . 49 GLU HB3 . 50516 1 572 . 1 . 1 49 49 GLU HG2 H 1 2.010 0.020 . 2 . . . . . 49 GLU HG2 . 50516 1 573 . 1 . 1 49 49 GLU HG3 H 1 2.200 0.020 . 2 . . . . . 49 GLU HG3 . 50516 1 574 . 1 . 1 49 49 GLU C C 13 177.145 0.3 . 1 . . . . . 49 GLU C . 50516 1 575 . 1 . 1 49 49 GLU CA C 13 58.330 0.3 . 1 . . . . . 49 GLU CA . 50516 1 576 . 1 . 1 49 49 GLU CB C 13 30.454 0.3 . 1 . . . . . 49 GLU CB . 50516 1 577 . 1 . 1 49 49 GLU CG C 13 38.014 0.3 . 1 . . . . . 49 GLU CG . 50516 1 578 . 1 . 1 49 49 GLU N N 15 117.308 0.3 . 1 . . . . . 49 GLU N . 50516 1 579 . 1 . 1 50 50 GLY H H 1 8.974 0.020 . 1 . . . . . 50 GLY H . 50516 1 580 . 1 . 1 50 50 GLY HA2 H 1 2.962 0.020 . 2 . . . . . 50 GLY HA1 . 50516 1 581 . 1 . 1 50 50 GLY HA3 H 1 4.299 0.020 . 2 . . . . . 50 GLY HA2 . 50516 1 582 . 1 . 1 50 50 GLY C C 13 172.849 0.3 . 1 . . . . . 50 GLY C . 50516 1 583 . 1 . 1 50 50 GLY CA C 13 43.097 0.3 . 1 . . . . . 50 GLY CA . 50516 1 584 . 1 . 1 50 50 GLY N N 15 111.907 0.3 . 1 . . . . . 50 GLY N . 50516 1 585 . 1 . 1 51 51 VAL H H 1 8.438 0.020 . 1 . . . . . 51 VAL H . 50516 1 586 . 1 . 1 51 51 VAL HA H 1 4.742 0.020 . 1 . . . . . 51 VAL HA . 50516 1 587 . 1 . 1 51 51 VAL HB H 1 1.935 0.020 . 1 . . . . . 51 VAL HB . 50516 1 588 . 1 . 1 51 51 VAL HG11 H 1 0.831 0.020 . 1 . . . . . 51 VAL HG1 . 50516 1 589 . 1 . 1 51 51 VAL HG12 H 1 0.831 0.020 . 1 . . . . . 51 VAL HG1 . 50516 1 590 . 1 . 1 51 51 VAL HG13 H 1 0.831 0.020 . 1 . . . . . 51 VAL HG1 . 50516 1 591 . 1 . 1 51 51 VAL HG21 H 1 0.794 0.020 . 1 . . . . . 51 VAL HG2 . 50516 1 592 . 1 . 1 51 51 VAL HG22 H 1 0.794 0.020 . 1 . . . . . 51 VAL HG2 . 50516 1 593 . 1 . 1 51 51 VAL HG23 H 1 0.794 0.020 . 1 . . . . . 51 VAL HG2 . 50516 1 594 . 1 . 1 51 51 VAL C C 13 177.990 0.3 . 1 . . . . . 51 VAL C . 50516 1 595 . 1 . 1 51 51 VAL CA C 13 63.249 0.3 . 1 . . . . . 51 VAL CA . 50516 1 596 . 1 . 1 51 51 VAL CB C 13 32.226 0.3 . 1 . . . . . 51 VAL CB . 50516 1 597 . 1 . 1 51 51 VAL CG1 C 13 22.975 0.3 . 1 . . . . . 51 VAL CG1 . 50516 1 598 . 1 . 1 51 51 VAL CG2 C 13 20.387 0.3 . 1 . . . . . 51 VAL CG2 . 50516 1 599 . 1 . 1 51 51 VAL N N 15 119.744 0.3 . 1 . . . . . 51 VAL N . 50516 1 600 . 1 . 1 52 52 VAL H H 1 9.200 0.020 . 1 . . . . . 52 VAL H . 50516 1 601 . 1 . 1 52 52 VAL HA H 1 4.123 0.020 . 1 . . . . . 52 VAL HA . 50516 1 602 . 1 . 1 52 52 VAL HB H 1 2.238 0.020 . 1 . . . . . 52 VAL HB . 50516 1 603 . 1 . 1 52 52 VAL HG11 H 1 1.192 0.020 . 1 . . . . . 52 VAL HG1 . 50516 1 604 . 1 . 1 52 52 VAL HG12 H 1 1.192 0.020 . 1 . . . . . 52 VAL HG1 . 50516 1 605 . 1 . 1 52 52 VAL HG13 H 1 1.192 0.020 . 1 . . . . . 52 VAL HG1 . 50516 1 606 . 1 . 1 52 52 VAL HG21 H 1 1.107 0.020 . 1 . . . . . 52 VAL HG2 . 50516 1 607 . 1 . 1 52 52 VAL HG22 H 1 1.107 0.020 . 1 . . . . . 52 VAL HG2 . 50516 1 608 . 1 . 1 52 52 VAL HG23 H 1 1.107 0.020 . 1 . . . . . 52 VAL HG2 . 50516 1 609 . 1 . 1 52 52 VAL C C 13 172.739 0.3 . 1 . . . . . 52 VAL C . 50516 1 610 . 1 . 1 52 52 VAL CA C 13 62.754 0.3 . 1 . . . . . 52 VAL CA . 50516 1 611 . 1 . 1 52 52 VAL CB C 13 36.246 0.3 . 1 . . . . . 52 VAL CB . 50516 1 612 . 1 . 1 52 52 VAL CG1 C 13 23.010 0.3 . 1 . . . . . 52 VAL CG1 . 50516 1 613 . 1 . 1 52 52 VAL CG2 C 13 21.120 0.3 . 1 . . . . . 52 VAL CG2 . 50516 1 614 . 1 . 1 52 52 VAL N N 15 131.502 0.3 . 1 . . . . . 52 VAL N . 50516 1 615 . 1 . 1 53 53 ASP H H 1 8.768 0.020 . 1 . . . . . 53 ASP H . 50516 1 616 . 1 . 1 53 53 ASP HA H 1 4.996 0.020 . 1 . . . . . 53 ASP HA . 50516 1 617 . 1 . 1 53 53 ASP HB2 H 1 2.986 0.020 . 2 . . . . . 53 ASP HB2 . 50516 1 618 . 1 . 1 53 53 ASP HB3 H 1 2.036 0.020 . 2 . . . . . 53 ASP HB3 . 50516 1 619 . 1 . 1 53 53 ASP C C 13 175.145 0.3 . 1 . . . . . 53 ASP C . 50516 1 620 . 1 . 1 53 53 ASP CA C 13 52.061 0.3 . 1 . . . . . 53 ASP CA . 50516 1 621 . 1 . 1 53 53 ASP CB C 13 40.853 0.3 . 1 . . . . . 53 ASP CB . 50516 1 622 . 1 . 1 53 53 ASP N N 15 127.428 0.3 . 1 . . . . . 53 ASP N . 50516 1 623 . 1 . 1 54 54 TYR H H 1 8.737 0.020 . 1 . . . . . 54 TYR H . 50516 1 624 . 1 . 1 54 54 TYR HA H 1 4.178 0.020 . 1 . . . . . 54 TYR HA . 50516 1 625 . 1 . 1 54 54 TYR HB2 H 1 3.122 0.020 . 2 . . . . . 54 TYR HB2 . 50516 1 626 . 1 . 1 54 54 TYR HB3 H 1 2.647 0.020 . 2 . . . . . 54 TYR HB3 . 50516 1 627 . 1 . 1 54 54 TYR C C 13 173.666 0.3 . 1 . . . . . 54 TYR C . 50516 1 628 . 1 . 1 54 54 TYR CA C 13 58.988 0.3 . 1 . . . . . 54 TYR CA . 50516 1 629 . 1 . 1 54 54 TYR CB C 13 38.281 0.3 . 1 . . . . . 54 TYR CB . 50516 1 630 . 1 . 1 54 54 TYR N N 15 128.807 0.3 . 1 . . . . . 54 TYR N . 50516 1 631 . 1 . 1 55 55 GLY H H 1 8.330 0.020 . 1 . . . . . 55 GLY H . 50516 1 632 . 1 . 1 55 55 GLY HA2 H 1 3.893 0.020 . 2 . . . . . 55 GLY HA1 . 50516 1 633 . 1 . 1 55 55 GLY HA3 H 1 2.881 0.020 . 2 . . . . . 55 GLY HA2 . 50516 1 634 . 1 . 1 55 55 GLY C C 13 175.209 0.3 . 1 . . . . . 55 GLY C . 50516 1 635 . 1 . 1 55 55 GLY CA C 13 46.379 0.3 . 1 . . . . . 55 GLY CA . 50516 1 636 . 1 . 1 55 55 GLY N N 15 117.132 0.3 . 1 . . . . . 55 GLY N . 50516 1 637 . 1 . 1 56 56 ALA H H 1 7.316 0.020 . 1 . . . . . 56 ALA H . 50516 1 638 . 1 . 1 56 56 ALA HA H 1 3.852 0.020 . 1 . . . . . 56 ALA HA . 50516 1 639 . 1 . 1 56 56 ALA HB1 H 1 0.586 0.020 . 1 . . . . . 56 ALA HB . 50516 1 640 . 1 . 1 56 56 ALA HB2 H 1 0.586 0.020 . 1 . . . . . 56 ALA HB . 50516 1 641 . 1 . 1 56 56 ALA HB3 H 1 0.586 0.020 . 1 . . . . . 56 ALA HB . 50516 1 642 . 1 . 1 56 56 ALA C C 13 171.809 0.3 . 1 . . . . . 56 ALA C . 50516 1 643 . 1 . 1 56 56 ALA CA C 13 50.038 0.3 . 1 . . . . . 56 ALA CA . 50516 1 644 . 1 . 1 56 56 ALA CB C 13 19.430 0.3 . 1 . . . . . 56 ALA CB . 50516 1 645 . 1 . 1 56 56 ALA N N 15 126.140 0.3 . 1 . . . . . 56 ALA N . 50516 1 646 . 1 . 1 57 57 ARG H H 1 8.757 0.020 . 1 . . . . . 57 ARG H . 50516 1 647 . 1 . 1 57 57 ARG HA H 1 4.400 0.020 . 1 . . . . . 57 ARG HA . 50516 1 648 . 1 . 1 57 57 ARG HB2 H 1 1.379 0.020 . 2 . . . . . 57 ARG HB2 . 50516 1 649 . 1 . 1 57 57 ARG HB3 H 1 1.067 0.020 . 2 . . . . . 57 ARG HB3 . 50516 1 650 . 1 . 1 57 57 ARG HG2 H 1 1.507 0.020 . 1 . . . . . 57 ARG HG2 . 50516 1 651 . 1 . 1 57 57 ARG HG3 H 1 1.507 0.020 . 1 . . . . . 57 ARG HG3 . 50516 1 652 . 1 . 1 57 57 ARG HD2 H 1 2.795 0.020 . 1 . . . . . 57 ARG HD2 . 50516 1 653 . 1 . 1 57 57 ARG HD3 H 1 2.795 0.020 . 1 . . . . . 57 ARG HD3 . 50516 1 654 . 1 . 1 57 57 ARG C C 13 173.294 0.3 . 1 . . . . . 57 ARG C . 50516 1 655 . 1 . 1 57 57 ARG CA C 13 55.769 0.3 . 1 . . . . . 57 ARG CA . 50516 1 656 . 1 . 1 57 57 ARG CB C 13 30.272 0.3 . 1 . . . . . 57 ARG CB . 50516 1 657 . 1 . 1 57 57 ARG CG C 13 29.011 0.3 . 1 . . . . . 57 ARG CG . 50516 1 658 . 1 . 1 57 57 ARG CD C 13 43.045 0.3 . 1 . . . . . 57 ARG CD . 50516 1 659 . 1 . 1 57 57 ARG N N 15 119.655 0.3 . 1 . . . . . 57 ARG N . 50516 1 660 . 1 . 1 58 58 PHE H H 1 8.696 0.020 . 1 . . . . . 58 PHE H . 50516 1 661 . 1 . 1 58 58 PHE HA H 1 5.068 0.020 . 1 . . . . . 58 PHE HA . 50516 1 662 . 1 . 1 58 58 PHE HB2 H 1 2.109 0.020 . 1 . . . . . 58 PHE HB2 . 50516 1 663 . 1 . 1 58 58 PHE HB3 H 1 2.109 0.020 . 1 . . . . . 58 PHE HB3 . 50516 1 664 . 1 . 1 58 58 PHE C C 13 175.559 0.3 . 1 . . . . . 58 PHE C . 50516 1 665 . 1 . 1 58 58 PHE CA C 13 56.042 0.3 . 1 . . . . . 58 PHE CA . 50516 1 666 . 1 . 1 58 58 PHE CB C 13 43.252 0.3 . 1 . . . . . 58 PHE CB . 50516 1 667 . 1 . 1 58 58 PHE N N 15 121.995 0.3 . 1 . . . . . 58 PHE N . 50516 1 668 . 1 . 1 59 59 TYR H H 1 7.813 0.020 . 1 . . . . . 59 TYR H . 50516 1 669 . 1 . 1 59 59 TYR HA H 1 4.673 0.020 . 1 . . . . . 59 TYR HA . 50516 1 670 . 1 . 1 59 59 TYR HB2 H 1 2.665 0.020 . 2 . . . . . 59 TYR HB2 . 50516 1 671 . 1 . 1 59 59 TYR HB3 H 1 2.381 0.020 . 2 . . . . . 59 TYR HB3 . 50516 1 672 . 1 . 1 59 59 TYR C C 13 175.471 0.3 . 1 . . . . . 59 TYR C . 50516 1 673 . 1 . 1 59 59 TYR CA C 13 57.234 0.3 . 1 . . . . . 59 TYR CA . 50516 1 674 . 1 . 1 59 59 TYR CB C 13 40.194 0.3 . 1 . . . . . 59 TYR CB . 50516 1 675 . 1 . 1 59 59 TYR N N 15 119.301 0.3 . 1 . . . . . 59 TYR N . 50516 1 676 . 1 . 1 60 60 PHE H H 1 8.842 0.020 . 1 . . . . . 60 PHE H . 50516 1 677 . 1 . 1 60 60 PHE HA H 1 5.622 0.020 . 1 . . . . . 60 PHE HA . 50516 1 678 . 1 . 1 60 60 PHE HB2 H 1 3.497 0.020 . 2 . . . . . 60 PHE HB2 . 50516 1 679 . 1 . 1 60 60 PHE HB3 H 1 2.385 0.020 . 2 . . . . . 60 PHE HB3 . 50516 1 680 . 1 . 1 60 60 PHE C C 13 176.225 0.3 . 1 . . . . . 60 PHE C . 50516 1 681 . 1 . 1 60 60 PHE CA C 13 57.843 0.3 . 1 . . . . . 60 PHE CA . 50516 1 682 . 1 . 1 60 60 PHE CB C 13 38.660 0.3 . 1 . . . . . 60 PHE CB . 50516 1 683 . 1 . 1 60 60 PHE N N 15 128.100 0.3 . 1 . . . . . 60 PHE N . 50516 1 684 . 1 . 1 61 61 TYR H H 1 8.664 0.020 . 1 . . . . . 61 TYR H . 50516 1 685 . 1 . 1 61 61 TYR HA H 1 5.345 0.020 . 1 . . . . . 61 TYR HA . 50516 1 686 . 1 . 1 61 61 TYR HB2 H 1 3.303 0.020 . 2 . . . . . 61 TYR HB2 . 50516 1 687 . 1 . 1 61 61 TYR HB3 H 1 2.966 0.020 . 2 . . . . . 61 TYR HB3 . 50516 1 688 . 1 . 1 61 61 TYR C C 13 173.332 0.3 . 1 . . . . . 61 TYR C . 50516 1 689 . 1 . 1 61 61 TYR CA C 13 55.020 0.3 . 1 . . . . . 61 TYR CA . 50516 1 690 . 1 . 1 61 61 TYR CB C 13 42.098 0.3 . 1 . . . . . 61 TYR CB . 50516 1 691 . 1 . 1 61 61 TYR N N 15 118.620 0.3 . 1 . . . . . 61 TYR N . 50516 1 692 . 1 . 1 62 62 THR H H 1 8.736 0.020 . 1 . . . . . 62 THR H . 50516 1 693 . 1 . 1 62 62 THR HA H 1 5.018 0.020 . 1 . . . . . 62 THR HA . 50516 1 694 . 1 . 1 62 62 THR HB H 1 4.432 0.020 . 1 . . . . . 62 THR HB . 50516 1 695 . 1 . 1 62 62 THR HG21 H 1 1.142 0.020 . 1 . . . . . 62 THR HG2 . 50516 1 696 . 1 . 1 62 62 THR HG22 H 1 1.142 0.020 . 1 . . . . . 62 THR HG2 . 50516 1 697 . 1 . 1 62 62 THR HG23 H 1 1.142 0.020 . 1 . . . . . 62 THR HG2 . 50516 1 698 . 1 . 1 62 62 THR C C 13 175.211 0.3 . 1 . . . . . 62 THR C . 50516 1 699 . 1 . 1 62 62 THR CA C 13 59.054 0.3 . 1 . . . . . 62 THR CA . 50516 1 700 . 1 . 1 62 62 THR CB C 13 70.970 0.3 . 1 . . . . . 62 THR CB . 50516 1 701 . 1 . 1 62 62 THR CG2 C 13 20.505 0.3 . 1 . . . . . 62 THR CG2 . 50516 1 702 . 1 . 1 62 62 THR N N 15 111.973 0.3 . 1 . . . . . 62 THR N . 50516 1 703 . 1 . 1 63 63 SER H H 1 9.635 0.020 . 1 . . . . . 63 SER H . 50516 1 704 . 1 . 1 63 63 SER HA H 1 3.708 0.020 . 1 . . . . . 63 SER HA . 50516 1 705 . 1 . 1 63 63 SER HB2 H 1 3.307 0.020 . 2 . . . . . 63 SER HB2 . 50516 1 706 . 1 . 1 63 63 SER HB3 H 1 3.373 0.020 . 2 . . . . . 63 SER HB3 . 50516 1 707 . 1 . 1 63 63 SER C C 13 175.214 0.3 . 1 . . . . . 63 SER C . 50516 1 708 . 1 . 1 63 63 SER CA C 13 59.767 0.3 . 1 . . . . . 63 SER CA . 50516 1 709 . 1 . 1 63 63 SER CB C 13 62.456 0.3 . 1 . . . . . 63 SER CB . 50516 1 710 . 1 . 1 63 63 SER N N 15 118.028 0.3 . 1 . . . . . 63 SER N . 50516 1 711 . 1 . 1 64 64 LYS H H 1 8.057 0.020 . 1 . . . . . 64 LYS H . 50516 1 712 . 1 . 1 64 64 LYS HA H 1 4.070 0.020 . 1 . . . . . 64 LYS HA . 50516 1 713 . 1 . 1 64 64 LYS HB2 H 1 1.816 0.020 . 2 . . . . . 64 LYS HB2 . 50516 1 714 . 1 . 1 64 64 LYS HB3 H 1 1.630 0.020 . 2 . . . . . 64 LYS HB3 . 50516 1 715 . 1 . 1 64 64 LYS HG2 H 1 1.389 0.020 . 2 . . . . . 64 LYS HG2 . 50516 1 716 . 1 . 1 64 64 LYS HG3 H 1 1.329 0.020 . 2 . . . . . 64 LYS HG3 . 50516 1 717 . 1 . 1 64 64 LYS HD2 H 1 1.506 0.020 . 2 . . . . . 64 LYS HD2 . 50516 1 718 . 1 . 1 64 64 LYS HD3 H 1 1.664 0.020 . 2 . . . . . 64 LYS HD3 . 50516 1 719 . 1 . 1 64 64 LYS HE2 H 1 2.895 0.020 . 1 . . . . . 64 LYS HE2 . 50516 1 720 . 1 . 1 64 64 LYS HE3 H 1 2.895 0.020 . 1 . . . . . 64 LYS HE3 . 50516 1 721 . 1 . 1 64 64 LYS C C 13 177.982 0.3 . 1 . . . . . 64 LYS C . 50516 1 722 . 1 . 1 64 64 LYS CA C 13 57.413 0.3 . 1 . . . . . 64 LYS CA . 50516 1 723 . 1 . 1 64 64 LYS CB C 13 32.036 0.3 . 1 . . . . . 64 LYS CB . 50516 1 724 . 1 . 1 64 64 LYS CG C 13 24.887 0.3 . 1 . . . . . 64 LYS CG . 50516 1 725 . 1 . 1 64 64 LYS CD C 13 28.945 0.3 . 1 . . . . . 64 LYS CD . 50516 1 726 . 1 . 1 64 64 LYS CE C 13 42.251 0.3 . 1 . . . . . 64 LYS CE . 50516 1 727 . 1 . 1 64 64 LYS N N 15 120.644 0.3 . 1 . . . . . 64 LYS N . 50516 1 728 . 1 . 1 65 65 THR H H 1 7.619 0.020 . 1 . . . . . 65 THR H . 50516 1 729 . 1 . 1 65 65 THR HA H 1 4.301 0.020 . 1 . . . . . 65 THR HA . 50516 1 730 . 1 . 1 65 65 THR HB H 1 4.328 0.020 . 1 . . . . . 65 THR HB . 50516 1 731 . 1 . 1 65 65 THR HG21 H 1 1.355 0.020 . 1 . . . . . 65 THR HG2 . 50516 1 732 . 1 . 1 65 65 THR HG22 H 1 1.355 0.020 . 1 . . . . . 65 THR HG2 . 50516 1 733 . 1 . 1 65 65 THR HG23 H 1 1.355 0.020 . 1 . . . . . 65 THR HG2 . 50516 1 734 . 1 . 1 65 65 THR C C 13 173.732 0.3 . 1 . . . . . 65 THR C . 50516 1 735 . 1 . 1 65 65 THR CA C 13 62.446 0.3 . 1 . . . . . 65 THR CA . 50516 1 736 . 1 . 1 65 65 THR CB C 13 69.812 0.3 . 1 . . . . . 65 THR CB . 50516 1 737 . 1 . 1 65 65 THR CG2 C 13 22.333 0.3 . 1 . . . . . 65 THR CG2 . 50516 1 738 . 1 . 1 65 65 THR N N 15 119.572 0.3 . 1 . . . . . 65 THR N . 50516 1 739 . 1 . 1 66 66 THR H H 1 8.721 0.020 . 1 . . . . . 66 THR H . 50516 1 740 . 1 . 1 66 66 THR HA H 1 4.210 0.020 . 1 . . . . . 66 THR HA . 50516 1 741 . 1 . 1 66 66 THR HB H 1 4.569 0.020 . 1 . . . . . 66 THR HB . 50516 1 742 . 1 . 1 66 66 THR HG21 H 1 1.363 0.020 . 1 . . . . . 66 THR HG2 . 50516 1 743 . 1 . 1 66 66 THR HG22 H 1 1.363 0.020 . 1 . . . . . 66 THR HG2 . 50516 1 744 . 1 . 1 66 66 THR HG23 H 1 1.363 0.020 . 1 . . . . . 66 THR HG2 . 50516 1 745 . 1 . 1 66 66 THR C C 13 174.957 0.3 . 1 . . . . . 66 THR C . 50516 1 746 . 1 . 1 66 66 THR CA C 13 61.564 0.3 . 1 . . . . . 66 THR CA . 50516 1 747 . 1 . 1 66 66 THR CB C 13 69.932 0.3 . 1 . . . . . 66 THR CB . 50516 1 748 . 1 . 1 66 66 THR CG2 C 13 21.948 0.3 . 1 . . . . . 66 THR CG2 . 50516 1 749 . 1 . 1 66 66 THR N N 15 118.019 0.3 . 1 . . . . . 66 THR N . 50516 1 750 . 1 . 1 67 67 VAL H H 1 8.413 0.020 . 1 . . . . . 67 VAL H . 50516 1 751 . 1 . 1 67 67 VAL HA H 1 2.785 0.020 . 1 . . . . . 67 VAL HA . 50516 1 752 . 1 . 1 67 67 VAL HB H 1 0.663 0.020 . 1 . . . . . 67 VAL HB . 50516 1 753 . 1 . 1 67 67 VAL HG11 H 1 0.018 0.020 . 1 . . . . . 67 VAL HG1 . 50516 1 754 . 1 . 1 67 67 VAL HG12 H 1 0.018 0.020 . 1 . . . . . 67 VAL HG1 . 50516 1 755 . 1 . 1 67 67 VAL HG13 H 1 0.018 0.020 . 1 . . . . . 67 VAL HG1 . 50516 1 756 . 1 . 1 67 67 VAL HG21 H 1 -0.048 0.020 . 1 . . . . . 67 VAL HG2 . 50516 1 757 . 1 . 1 67 67 VAL HG22 H 1 -0.048 0.020 . 1 . . . . . 67 VAL HG2 . 50516 1 758 . 1 . 1 67 67 VAL HG23 H 1 -0.048 0.020 . 1 . . . . . 67 VAL HG2 . 50516 1 759 . 1 . 1 67 67 VAL C C 13 177.296 0.3 . 1 . . . . . 67 VAL C . 50516 1 760 . 1 . 1 67 67 VAL CA C 13 66.707 0.3 . 1 . . . . . 67 VAL CA . 50516 1 761 . 1 . 1 67 67 VAL CB C 13 30.121 0.3 . 1 . . . . . 67 VAL CB . 50516 1 762 . 1 . 1 67 67 VAL CG1 C 13 22.159 0.3 . 1 . . . . . 67 VAL CG1 . 50516 1 763 . 1 . 1 67 67 VAL CG2 C 13 21.860 0.3 . 1 . . . . . 67 VAL CG2 . 50516 1 764 . 1 . 1 67 67 VAL N N 15 121.251 0.3 . 1 . . . . . 67 VAL N . 50516 1 765 . 1 . 1 68 68 ALA H H 1 8.086 0.020 . 1 . . . . . 68 ALA H . 50516 1 766 . 1 . 1 68 68 ALA HA H 1 3.858 0.020 . 1 . . . . . 68 ALA HA . 50516 1 767 . 1 . 1 68 68 ALA HB1 H 1 1.354 0.020 . 1 . . . . . 68 ALA HB . 50516 1 768 . 1 . 1 68 68 ALA HB2 H 1 1.354 0.020 . 1 . . . . . 68 ALA HB . 50516 1 769 . 1 . 1 68 68 ALA HB3 H 1 1.354 0.020 . 1 . . . . . 68 ALA HB . 50516 1 770 . 1 . 1 68 68 ALA C C 13 180.236 0.3 . 1 . . . . . 68 ALA C . 50516 1 771 . 1 . 1 68 68 ALA CA C 13 55.220 0.3 . 1 . . . . . 68 ALA CA . 50516 1 772 . 1 . 1 68 68 ALA CB C 13 18.354 0.3 . 1 . . . . . 68 ALA CB . 50516 1 773 . 1 . 1 68 68 ALA N N 15 118.330 0.3 . 1 . . . . . 68 ALA N . 50516 1 774 . 1 . 1 69 69 SER H H 1 7.641 0.020 . 1 . . . . . 69 SER H . 50516 1 775 . 1 . 1 69 69 SER HA H 1 4.092 0.020 . 1 . . . . . 69 SER HA . 50516 1 776 . 1 . 1 69 69 SER HB2 H 1 3.834 0.020 . 2 . . . . . 69 SER HB2 . 50516 1 777 . 1 . 1 69 69 SER HB3 H 1 3.858 0.020 . 2 . . . . . 69 SER HB3 . 50516 1 778 . 1 . 1 69 69 SER C C 13 180.273 0.3 . 1 . . . . . 69 SER C . 50516 1 779 . 1 . 1 69 69 SER CA C 13 61.233 0.3 . 1 . . . . . 69 SER CA . 50516 1 780 . 1 . 1 69 69 SER CB C 13 63.037 0.3 . 1 . . . . . 69 SER CB . 50516 1 781 . 1 . 1 69 69 SER N N 15 113.420 0.3 . 1 . . . . . 69 SER N . 50516 1 782 . 1 . 1 70 70 LEU H H 1 8.190 0.020 . 1 . . . . . 70 LEU H . 50516 1 783 . 1 . 1 70 70 LEU HA H 1 3.822 0.020 . 1 . . . . . 70 LEU HA . 50516 1 784 . 1 . 1 70 70 LEU HB2 H 1 1.511 0.020 . 2 . . . . . 70 LEU HB2 . 50516 1 785 . 1 . 1 70 70 LEU HB3 H 1 1.205 0.020 . 2 . . . . . 70 LEU HB3 . 50516 1 786 . 1 . 1 70 70 LEU HG H 1 1.091 0.020 . 1 . . . . . 70 LEU HG . 50516 1 787 . 1 . 1 70 70 LEU HD11 H 1 -0.001 0.020 . 2 . . . . . 70 LEU HD1 . 50516 1 788 . 1 . 1 70 70 LEU HD12 H 1 -0.001 0.020 . 2 . . . . . 70 LEU HD1 . 50516 1 789 . 1 . 1 70 70 LEU HD13 H 1 -0.001 0.020 . 2 . . . . . 70 LEU HD1 . 50516 1 790 . 1 . 1 70 70 LEU HD21 H 1 0.339 0.020 . 2 . . . . . 70 LEU HD2 . 50516 1 791 . 1 . 1 70 70 LEU HD22 H 1 0.339 0.020 . 2 . . . . . 70 LEU HD2 . 50516 1 792 . 1 . 1 70 70 LEU HD23 H 1 0.339 0.020 . 2 . . . . . 70 LEU HD2 . 50516 1 793 . 1 . 1 70 70 LEU C C 13 178.024 0.3 . 1 . . . . . 70 LEU C . 50516 1 794 . 1 . 1 70 70 LEU CA C 13 57.839 0.3 . 1 . . . . . 70 LEU CA . 50516 1 795 . 1 . 1 70 70 LEU CB C 13 41.776 0.3 . 1 . . . . . 70 LEU CB . 50516 1 796 . 1 . 1 70 70 LEU CG C 13 26.028 0.3 . 1 . . . . . 70 LEU CG . 50516 1 797 . 1 . 1 70 70 LEU CD1 C 13 25.008 0.3 . 1 . . . . . 70 LEU CD1 . 50516 1 798 . 1 . 1 70 70 LEU CD2 C 13 23.616 0.3 . 1 . . . . . 70 LEU CD2 . 50516 1 799 . 1 . 1 70 70 LEU N N 15 124.400 0.3 . 1 . . . . . 70 LEU N . 50516 1 800 . 1 . 1 71 71 ILE H H 1 8.278 0.020 . 1 . . . . . 71 ILE H . 50516 1 801 . 1 . 1 71 71 ILE HA H 1 3.195 0.020 . 1 . . . . . 71 ILE HA . 50516 1 802 . 1 . 1 71 71 ILE HB H 1 1.788 0.020 . 1 . . . . . 71 ILE HB . 50516 1 803 . 1 . 1 71 71 ILE HG12 H 1 1.382 0.020 . 2 . . . . . 71 ILE HG12 . 50516 1 804 . 1 . 1 71 71 ILE HG13 H 1 0.931 0.020 . 2 . . . . . 71 ILE HG13 . 50516 1 805 . 1 . 1 71 71 ILE HG21 H 1 0.648 0.020 . 1 . . . . . 71 ILE HG2 . 50516 1 806 . 1 . 1 71 71 ILE HG22 H 1 0.648 0.020 . 1 . . . . . 71 ILE HG2 . 50516 1 807 . 1 . 1 71 71 ILE HG23 H 1 0.648 0.020 . 1 . . . . . 71 ILE HG2 . 50516 1 808 . 1 . 1 71 71 ILE HD11 H 1 0.547 0.020 . 1 . . . . . 71 ILE HD1 . 50516 1 809 . 1 . 1 71 71 ILE HD12 H 1 0.547 0.020 . 1 . . . . . 71 ILE HD1 . 50516 1 810 . 1 . 1 71 71 ILE HD13 H 1 0.547 0.020 . 1 . . . . . 71 ILE HD1 . 50516 1 811 . 1 . 1 71 71 ILE C C 13 177.227 0.3 . 1 . . . . . 71 ILE C . 50516 1 812 . 1 . 1 71 71 ILE CA C 13 65.080 0.3 . 1 . . . . . 71 ILE CA . 50516 1 813 . 1 . 1 71 71 ILE CB C 13 36.892 0.3 . 1 . . . . . 71 ILE CB . 50516 1 814 . 1 . 1 71 71 ILE CG1 C 13 30.055 0.3 . 1 . . . . . 71 ILE CG1 . 50516 1 815 . 1 . 1 71 71 ILE CG2 C 13 16.627 0.3 . 1 . . . . . 71 ILE CG2 . 50516 1 816 . 1 . 1 71 71 ILE CD1 C 13 13.018 0.3 . 1 . . . . . 71 ILE CD1 . 50516 1 817 . 1 . 1 71 71 ILE N N 15 118.144 0.3 . 1 . . . . . 71 ILE N . 50516 1 818 . 1 . 1 72 72 ASN H H 1 7.726 0.020 . 1 . . . . . 72 ASN H . 50516 1 819 . 1 . 1 72 72 ASN HA H 1 4.315 0.020 . 1 . . . . . 72 ASN HA . 50516 1 820 . 1 . 1 72 72 ASN HB2 H 1 2.885 0.020 . 2 . . . . . 72 ASN HB2 . 50516 1 821 . 1 . 1 72 72 ASN HB3 H 1 2.796 0.020 . 2 . . . . . 72 ASN HB3 . 50516 1 822 . 1 . 1 72 72 ASN C C 13 177.730 0.3 . 1 . . . . . 72 ASN C . 50516 1 823 . 1 . 1 72 72 ASN CA C 13 56.767 0.3 . 1 . . . . . 72 ASN CA . 50516 1 824 . 1 . 1 72 72 ASN CB C 13 37.981 0.3 . 1 . . . . . 72 ASN CB . 50516 1 825 . 1 . 1 72 72 ASN N N 15 117.722 0.3 . 1 . . . . . 72 ASN N . 50516 1 826 . 1 . 1 73 73 THR H H 1 8.368 0.020 . 1 . . . . . 73 THR H . 50516 1 827 . 1 . 1 73 73 THR HA H 1 3.772 0.020 . 1 . . . . . 73 THR HA . 50516 1 828 . 1 . 1 73 73 THR HB H 1 4.088 0.020 . 1 . . . . . 73 THR HB . 50516 1 829 . 1 . 1 73 73 THR HG21 H 1 1.032 0.020 . 1 . . . . . 73 THR HG2 . 50516 1 830 . 1 . 1 73 73 THR HG22 H 1 1.032 0.020 . 1 . . . . . 73 THR HG2 . 50516 1 831 . 1 . 1 73 73 THR HG23 H 1 1.032 0.020 . 1 . . . . . 73 THR HG2 . 50516 1 832 . 1 . 1 73 73 THR C C 13 177.685 0.3 . 1 . . . . . 73 THR C . 50516 1 833 . 1 . 1 73 73 THR CA C 13 67.101 0.3 . 1 . . . . . 73 THR CA . 50516 1 834 . 1 . 1 73 73 THR CB C 13 68.724 0.3 . 1 . . . . . 73 THR CB . 50516 1 835 . 1 . 1 73 73 THR CG2 C 13 20.543 0.3 . 1 . . . . . 73 THR CG2 . 50516 1 836 . 1 . 1 73 73 THR N N 15 118.237 0.3 . 1 . . . . . 73 THR N . 50516 1 837 . 1 . 1 74 74 LEU H H 1 8.375 0.020 . 1 . . . . . 74 LEU H . 50516 1 838 . 1 . 1 74 74 LEU HA H 1 3.696 0.020 . 1 . . . . . 74 LEU HA . 50516 1 839 . 1 . 1 74 74 LEU HB2 H 1 1.566 0.020 . 2 . . . . . 74 LEU HB2 . 50516 1 840 . 1 . 1 74 74 LEU HB3 H 1 1.045 0.020 . 2 . . . . . 74 LEU HB3 . 50516 1 841 . 1 . 1 74 74 LEU HG H 1 1.422 0.020 . 1 . . . . . 74 LEU HG . 50516 1 842 . 1 . 1 74 74 LEU HD11 H 1 0.422 0.020 . 2 . . . . . 74 LEU HD1 . 50516 1 843 . 1 . 1 74 74 LEU HD12 H 1 0.422 0.020 . 2 . . . . . 74 LEU HD1 . 50516 1 844 . 1 . 1 74 74 LEU HD13 H 1 0.422 0.020 . 2 . . . . . 74 LEU HD1 . 50516 1 845 . 1 . 1 74 74 LEU HD21 H 1 0.170 0.020 . 2 . . . . . 74 LEU HD2 . 50516 1 846 . 1 . 1 74 74 LEU HD22 H 1 0.170 0.020 . 2 . . . . . 74 LEU HD2 . 50516 1 847 . 1 . 1 74 74 LEU HD23 H 1 0.170 0.020 . 2 . . . . . 74 LEU HD2 . 50516 1 848 . 1 . 1 74 74 LEU C C 13 180.031 0.3 . 1 . . . . . 74 LEU C . 50516 1 849 . 1 . 1 74 74 LEU CA C 13 57.771 0.3 . 1 . . . . . 74 LEU CA . 50516 1 850 . 1 . 1 74 74 LEU CB C 13 40.381 0.3 . 1 . . . . . 74 LEU CB . 50516 1 851 . 1 . 1 74 74 LEU CG C 13 26.606 0.3 . 1 . . . . . 74 LEU CG . 50516 1 852 . 1 . 1 74 74 LEU CD1 C 13 26.244 0.3 . 1 . . . . . 74 LEU CD1 . 50516 1 853 . 1 . 1 74 74 LEU CD2 C 13 21.253 0.3 . 1 . . . . . 74 LEU CD2 . 50516 1 854 . 1 . 1 74 74 LEU N N 15 121.225 0.3 . 1 . . . . . 74 LEU N . 50516 1 855 . 1 . 1 75 75 ASN H H 1 8.847 0.020 . 1 . . . . . 75 ASN H . 50516 1 856 . 1 . 1 75 75 ASN HA H 1 4.529 0.020 . 1 . . . . . 75 ASN HA . 50516 1 857 . 1 . 1 75 75 ASN HB2 H 1 3.038 0.020 . 2 . . . . . 75 ASN HB2 . 50516 1 858 . 1 . 1 75 75 ASN HB3 H 1 2.638 0.020 . 2 . . . . . 75 ASN HB3 . 50516 1 859 . 1 . 1 75 75 ASN C C 13 178.468 0.3 . 1 . . . . . 75 ASN C . 50516 1 860 . 1 . 1 75 75 ASN CA C 13 55.339 0.3 . 1 . . . . . 75 ASN CA . 50516 1 861 . 1 . 1 75 75 ASN CB C 13 37.152 0.3 . 1 . . . . . 75 ASN CB . 50516 1 862 . 1 . 1 75 75 ASN N N 15 120.706 0.3 . 1 . . . . . 75 ASN N . 50516 1 863 . 1 . 1 76 76 ASP H H 1 7.782 0.020 . 1 . . . . . 76 ASP H . 50516 1 864 . 1 . 1 76 76 ASP HA H 1 4.303 0.020 . 1 . . . . . 76 ASP HA . 50516 1 865 . 1 . 1 76 76 ASP HB2 H 1 2.751 0.020 . 2 . . . . . 76 ASP HB2 . 50516 1 866 . 1 . 1 76 76 ASP HB3 H 1 2.579 0.020 . 2 . . . . . 76 ASP HB3 . 50516 1 867 . 1 . 1 76 76 ASP C C 13 178.574 0.3 . 1 . . . . . 76 ASP C . 50516 1 868 . 1 . 1 76 76 ASP CA C 13 56.689 0.3 . 1 . . . . . 76 ASP CA . 50516 1 869 . 1 . 1 76 76 ASP CB C 13 40.496 0.3 . 1 . . . . . 76 ASP CB . 50516 1 870 . 1 . 1 76 76 ASP N N 15 120.922 0.3 . 1 . . . . . 76 ASP N . 50516 1 871 . 1 . 1 77 77 LEU H H 1 7.924 0.020 . 1 . . . . . 77 LEU H . 50516 1 872 . 1 . 1 77 77 LEU HA H 1 3.959 0.020 . 1 . . . . . 77 LEU HA . 50516 1 873 . 1 . 1 77 77 LEU HB2 H 1 1.822 0.020 . 2 . . . . . 77 LEU HB2 . 50516 1 874 . 1 . 1 77 77 LEU HB3 H 1 1.328 0.020 . 2 . . . . . 77 LEU HB3 . 50516 1 875 . 1 . 1 77 77 LEU HG H 1 1.672 0.020 . 1 . . . . . 77 LEU HG . 50516 1 876 . 1 . 1 77 77 LEU HD11 H 1 0.571 0.020 . 2 . . . . . 77 LEU HD1 . 50516 1 877 . 1 . 1 77 77 LEU HD12 H 1 0.571 0.020 . 2 . . . . . 77 LEU HD1 . 50516 1 878 . 1 . 1 77 77 LEU HD13 H 1 0.571 0.020 . 2 . . . . . 77 LEU HD1 . 50516 1 879 . 1 . 1 77 77 LEU HD21 H 1 0.790 0.020 . 2 . . . . . 77 LEU HD2 . 50516 1 880 . 1 . 1 77 77 LEU HD22 H 1 0.790 0.020 . 2 . . . . . 77 LEU HD2 . 50516 1 881 . 1 . 1 77 77 LEU HD23 H 1 0.790 0.020 . 2 . . . . . 77 LEU HD2 . 50516 1 882 . 1 . 1 77 77 LEU C C 13 179.011 0.3 . 1 . . . . . 77 LEU C . 50516 1 883 . 1 . 1 77 77 LEU CA C 13 57.456 0.3 . 1 . . . . . 77 LEU CA . 50516 1 884 . 1 . 1 77 77 LEU CB C 13 41.637 0.3 . 1 . . . . . 77 LEU CB . 50516 1 885 . 1 . 1 77 77 LEU CG C 13 26.560 0.3 . 1 . . . . . 77 LEU CG . 50516 1 886 . 1 . 1 77 77 LEU CD1 C 13 25.997 0.3 . 1 . . . . . 77 LEU CD1 . 50516 1 887 . 1 . 1 77 77 LEU CD2 C 13 23.028 0.3 . 1 . . . . . 77 LEU CD2 . 50516 1 888 . 1 . 1 77 77 LEU N N 15 120.176 0.3 . 1 . . . . . 77 LEU N . 50516 1 889 . 1 . 1 78 78 ASN H H 1 7.569 0.020 . 1 . . . . . 78 ASN H . 50516 1 890 . 1 . 1 78 78 ASN HA H 1 4.209 0.020 . 1 . . . . . 78 ASN HA . 50516 1 891 . 1 . 1 78 78 ASN HB2 H 1 3.180 0.020 . 2 . . . . . 78 ASN HB2 . 50516 1 892 . 1 . 1 78 78 ASN HB3 H 1 2.226 0.020 . 2 . . . . . 78 ASN HB3 . 50516 1 893 . 1 . 1 78 78 ASN C C 13 174.024 0.3 . 1 . . . . . 78 ASN C . 50516 1 894 . 1 . 1 78 78 ASN CA C 13 54.124 0.3 . 1 . . . . . 78 ASN CA . 50516 1 895 . 1 . 1 78 78 ASN CB C 13 38.016 0.3 . 1 . . . . . 78 ASN CB . 50516 1 896 . 1 . 1 78 78 ASN N N 15 111.617 0.3 . 1 . . . . . 78 ASN N . 50516 1 897 . 1 . 1 79 79 GLU H H 1 8.678 0.020 . 1 . . . . . 79 GLU H . 50516 1 898 . 1 . 1 79 79 GLU HA H 1 4.423 0.020 . 1 . . . . . 79 GLU HA . 50516 1 899 . 1 . 1 79 79 GLU HB2 H 1 2.033 0.020 . 2 . . . . . 79 GLU HB2 . 50516 1 900 . 1 . 1 79 79 GLU HB3 H 1 1.716 0.020 . 2 . . . . . 79 GLU HB3 . 50516 1 901 . 1 . 1 79 79 GLU HG2 H 1 2.043 0.020 . 2 . . . . . 79 GLU HG2 . 50516 1 902 . 1 . 1 79 79 GLU HG3 H 1 1.988 0.020 . 2 . . . . . 79 GLU HG3 . 50516 1 903 . 1 . 1 79 79 GLU C C 13 175.887 0.3 . 1 . . . . . 79 GLU C . 50516 1 904 . 1 . 1 79 79 GLU CA C 13 55.806 0.3 . 1 . . . . . 79 GLU CA . 50516 1 905 . 1 . 1 79 79 GLU CB C 13 31.255 0.3 . 1 . . . . . 79 GLU CB . 50516 1 906 . 1 . 1 79 79 GLU CG C 13 37.033 0.3 . 1 . . . . . 79 GLU CG . 50516 1 907 . 1 . 1 79 79 GLU N N 15 119.822 0.3 . 1 . . . . . 79 GLU N . 50516 1 908 . 1 . 1 80 80 THR H H 1 8.418 0.020 . 1 . . . . . 80 THR H . 50516 1 909 . 1 . 1 80 80 THR HA H 1 4.322 0.020 . 1 . . . . . 80 THR HA . 50516 1 910 . 1 . 1 80 80 THR HB H 1 3.933 0.020 . 1 . . . . . 80 THR HB . 50516 1 911 . 1 . 1 80 80 THR HG21 H 1 1.110 0.020 . 1 . . . . . 80 THR HG2 . 50516 1 912 . 1 . 1 80 80 THR HG22 H 1 1.110 0.020 . 1 . . . . . 80 THR HG2 . 50516 1 913 . 1 . 1 80 80 THR HG23 H 1 1.110 0.020 . 1 . . . . . 80 THR HG2 . 50516 1 914 . 1 . 1 80 80 THR C C 13 175.906 0.3 . 1 . . . . . 80 THR C . 50516 1 915 . 1 . 1 80 80 THR CA C 13 63.331 0.3 . 1 . . . . . 80 THR CA . 50516 1 916 . 1 . 1 80 80 THR CB C 13 69.052 0.3 . 1 . . . . . 80 THR CB . 50516 1 917 . 1 . 1 80 80 THR CG2 C 13 22.341 0.3 . 1 . . . . . 80 THR CG2 . 50516 1 918 . 1 . 1 80 80 THR N N 15 117.741 0.3 . 1 . . . . . 80 THR N . 50516 1 919 . 1 . 1 81 81 LEU H H 1 8.305 0.020 . 1 . . . . . 81 LEU H . 50516 1 920 . 1 . 1 81 81 LEU HA H 1 5.725 0.020 . 1 . . . . . 81 LEU HA . 50516 1 921 . 1 . 1 81 81 LEU HB2 H 1 1.639 0.020 . 2 . . . . . 81 LEU HB2 . 50516 1 922 . 1 . 1 81 81 LEU HB3 H 1 1.141 0.020 . 2 . . . . . 81 LEU HB3 . 50516 1 923 . 1 . 1 81 81 LEU HG H 1 1.970 0.020 . 1 . . . . . 81 LEU HG . 50516 1 924 . 1 . 1 81 81 LEU HD11 H 1 0.710 0.020 . 2 . . . . . 81 LEU HD1 . 50516 1 925 . 1 . 1 81 81 LEU HD12 H 1 0.710 0.020 . 2 . . . . . 81 LEU HD1 . 50516 1 926 . 1 . 1 81 81 LEU HD13 H 1 0.710 0.020 . 2 . . . . . 81 LEU HD1 . 50516 1 927 . 1 . 1 81 81 LEU HD21 H 1 0.778 0.020 . 2 . . . . . 81 LEU HD2 . 50516 1 928 . 1 . 1 81 81 LEU HD22 H 1 0.778 0.020 . 2 . . . . . 81 LEU HD2 . 50516 1 929 . 1 . 1 81 81 LEU HD23 H 1 0.778 0.020 . 2 . . . . . 81 LEU HD2 . 50516 1 930 . 1 . 1 81 81 LEU C C 13 179.492 0.3 . 1 . . . . . 81 LEU C . 50516 1 931 . 1 . 1 81 81 LEU CA C 13 53.738 0.3 . 1 . . . . . 81 LEU CA . 50516 1 932 . 1 . 1 81 81 LEU CB C 13 47.135 0.3 . 1 . . . . . 81 LEU CB . 50516 1 933 . 1 . 1 81 81 LEU CG C 13 26.662 0.3 . 1 . . . . . 81 LEU CG . 50516 1 934 . 1 . 1 81 81 LEU CD1 C 13 28.248 0.3 . 1 . . . . . 81 LEU CD1 . 50516 1 935 . 1 . 1 81 81 LEU CD2 C 13 24.671 0.3 . 1 . . . . . 81 LEU CD2 . 50516 1 936 . 1 . 1 81 81 LEU N N 15 122.160 0.3 . 1 . . . . . 81 LEU N . 50516 1 937 . 1 . 1 82 82 VAL H H 1 8.323 0.020 . 1 . . . . . 82 VAL H . 50516 1 938 . 1 . 1 82 82 VAL HA H 1 5.006 0.020 . 1 . . . . . 82 VAL HA . 50516 1 939 . 1 . 1 82 82 VAL HB H 1 1.914 0.020 . 1 . . . . . 82 VAL HB . 50516 1 940 . 1 . 1 82 82 VAL HG11 H 1 1.053 0.020 . 1 . . . . . 82 VAL HG1 . 50516 1 941 . 1 . 1 82 82 VAL HG12 H 1 1.053 0.020 . 1 . . . . . 82 VAL HG1 . 50516 1 942 . 1 . 1 82 82 VAL HG13 H 1 1.053 0.020 . 1 . . . . . 82 VAL HG1 . 50516 1 943 . 1 . 1 82 82 VAL HG21 H 1 0.979 0.020 . 1 . . . . . 82 VAL HG2 . 50516 1 944 . 1 . 1 82 82 VAL HG22 H 1 0.979 0.020 . 1 . . . . . 82 VAL HG2 . 50516 1 945 . 1 . 1 82 82 VAL HG23 H 1 0.979 0.020 . 1 . . . . . 82 VAL HG2 . 50516 1 946 . 1 . 1 82 82 VAL C C 13 172.819 0.3 . 1 . . . . . 82 VAL C . 50516 1 947 . 1 . 1 82 82 VAL CA C 13 60.480 0.3 . 1 . . . . . 82 VAL CA . 50516 1 948 . 1 . 1 82 82 VAL CB C 13 34.019 0.3 . 1 . . . . . 82 VAL CB . 50516 1 949 . 1 . 1 82 82 VAL CG1 C 13 22.109 0.3 . 1 . . . . . 82 VAL CG1 . 50516 1 950 . 1 . 1 82 82 VAL CG2 C 13 19.714 0.3 . 1 . . . . . 82 VAL CG2 . 50516 1 951 . 1 . 1 82 82 VAL N N 15 120.669 0.3 . 1 . . . . . 82 VAL N . 50516 1 952 . 1 . 1 83 83 THR H H 1 8.712 0.020 . 1 . . . . . 83 THR H . 50516 1 953 . 1 . 1 83 83 THR HA H 1 5.114 0.020 . 1 . . . . . 83 THR HA . 50516 1 954 . 1 . 1 83 83 THR HB H 1 3.490 0.020 . 1 . . . . . 83 THR HB . 50516 1 955 . 1 . 1 83 83 THR HG21 H 1 0.809 0.020 . 1 . . . . . 83 THR HG2 . 50516 1 956 . 1 . 1 83 83 THR HG22 H 1 0.809 0.020 . 1 . . . . . 83 THR HG2 . 50516 1 957 . 1 . 1 83 83 THR HG23 H 1 0.809 0.020 . 1 . . . . . 83 THR HG2 . 50516 1 958 . 1 . 1 83 83 THR C C 13 172.691 0.3 . 1 . . . . . 83 THR C . 50516 1 959 . 1 . 1 83 83 THR CA C 13 59.446 0.3 . 1 . . . . . 83 THR CA . 50516 1 960 . 1 . 1 83 83 THR CB C 13 71.188 0.3 . 1 . . . . . 83 THR CB . 50516 1 961 . 1 . 1 83 83 THR CG2 C 13 20.429 0.3 . 1 . . . . . 83 THR CG2 . 50516 1 962 . 1 . 1 83 83 THR N N 15 117.422 0.3 . 1 . . . . . 83 THR N . 50516 1 963 . 1 . 1 84 84 MET H H 1 8.409 0.020 . 1 . . . . . 84 MET H . 50516 1 964 . 1 . 1 84 84 MET HA H 1 5.309 0.020 . 1 . . . . . 84 MET HA . 50516 1 965 . 1 . 1 84 84 MET HB2 H 1 2.381 0.020 . 2 . . . . . 84 MET HB2 . 50516 1 966 . 1 . 1 84 84 MET HB3 H 1 2.300 0.020 . 2 . . . . . 84 MET HB3 . 50516 1 967 . 1 . 1 84 84 MET HG2 H 1 2.855 0.020 . 2 . . . . . 84 MET HG2 . 50516 1 968 . 1 . 1 84 84 MET HG3 H 1 2.567 0.020 . 2 . . . . . 84 MET HG3 . 50516 1 969 . 1 . 1 84 84 MET C C 13 174.713 0.3 . 1 . . . . . 84 MET C . 50516 1 970 . 1 . 1 84 84 MET CA C 13 55.776 0.3 . 1 . . . . . 84 MET CA . 50516 1 971 . 1 . 1 84 84 MET CB C 13 32.068 0.3 . 1 . . . . . 84 MET CB . 50516 1 972 . 1 . 1 84 84 MET CG C 13 33.041 0.3 . 1 . . . . . 84 MET CG . 50516 1 973 . 1 . 1 84 84 MET N N 15 125.815 0.3 . 1 . . . . . 84 MET N . 50516 1 974 . 1 . 1 85 85 PRO HA H 1 3.994 0.020 . 1 . . . . . 85 PRO HA . 50516 1 975 . 1 . 1 85 85 PRO HB2 H 1 1.918 0.020 . 2 . . . . . 85 PRO HB2 . 50516 1 976 . 1 . 1 85 85 PRO HB3 H 1 1.681 0.020 . 2 . . . . . 85 PRO HB3 . 50516 1 977 . 1 . 1 85 85 PRO HG2 H 1 1.591 0.020 . 2 . . . . . 85 PRO HG2 . 50516 1 978 . 1 . 1 85 85 PRO HG3 H 1 1.119 0.020 . 2 . . . . . 85 PRO HG3 . 50516 1 979 . 1 . 1 85 85 PRO HD2 H 1 3.357 0.020 . 2 . . . . . 85 PRO HD2 . 50516 1 980 . 1 . 1 85 85 PRO HD3 H 1 3.868 0.020 . 2 . . . . . 85 PRO HD3 . 50516 1 981 . 1 . 1 85 85 PRO C C 13 176.835 0.3 . 1 . . . . . 85 PRO C . 50516 1 982 . 1 . 1 85 85 PRO CA C 13 63.734 0.3 . 1 . . . . . 85 PRO CA . 50516 1 983 . 1 . 1 85 85 PRO CB C 13 31.212 0.3 . 1 . . . . . 85 PRO CB . 50516 1 984 . 1 . 1 85 85 PRO CG C 13 28.633 0.3 . 1 . . . . . 85 PRO CG . 50516 1 985 . 1 . 1 85 85 PRO CD C 13 49.901 0.3 . 1 . . . . . 85 PRO CD . 50516 1 986 . 1 . 1 86 86 LEU H H 1 8.332 0.020 . 1 . . . . . 86 LEU H . 50516 1 987 . 1 . 1 86 86 LEU HA H 1 3.842 0.020 . 1 . . . . . 86 LEU HA . 50516 1 988 . 1 . 1 86 86 LEU HB2 H 1 1.572 0.020 . 2 . . . . . 86 LEU HB2 . 50516 1 989 . 1 . 1 86 86 LEU HB3 H 1 0.685 0.020 . 2 . . . . . 86 LEU HB3 . 50516 1 990 . 1 . 1 86 86 LEU HG H 1 1.647 0.020 . 1 . . . . . 86 LEU HG . 50516 1 991 . 1 . 1 86 86 LEU HD11 H 1 0.679 0.020 . 2 . . . . . 86 LEU HD1 . 50516 1 992 . 1 . 1 86 86 LEU HD12 H 1 0.679 0.020 . 2 . . . . . 86 LEU HD1 . 50516 1 993 . 1 . 1 86 86 LEU HD13 H 1 0.679 0.020 . 2 . . . . . 86 LEU HD1 . 50516 1 994 . 1 . 1 86 86 LEU HD21 H 1 0.688 0.020 . 1 . . . . . 86 LEU HD2 . 50516 1 995 . 1 . 1 86 86 LEU HD22 H 1 0.688 0.020 . 1 . . . . . 86 LEU HD2 . 50516 1 996 . 1 . 1 86 86 LEU HD23 H 1 0.688 0.020 . 1 . . . . . 86 LEU HD2 . 50516 1 997 . 1 . 1 86 86 LEU C C 13 174.253 0.3 . 1 . . . . . 86 LEU C . 50516 1 998 . 1 . 1 86 86 LEU CA C 13 56.864 0.3 . 1 . . . . . 86 LEU CA . 50516 1 999 . 1 . 1 86 86 LEU CB C 13 41.086 0.3 . 1 . . . . . 86 LEU CB . 50516 1 1000 . 1 . 1 86 86 LEU CG C 13 25.867 0.3 . 1 . . . . . 86 LEU CG . 50516 1 1001 . 1 . 1 86 86 LEU CD1 C 13 22.607 0.3 . 1 . . . . . 86 LEU CD1 . 50516 1 1002 . 1 . 1 86 86 LEU CD2 C 13 21.928 0.3 . 1 . . . . . 86 LEU CD2 . 50516 1 1003 . 1 . 1 86 86 LEU N N 15 131.448 0.3 . 1 . . . . . 86 LEU N . 50516 1 1004 . 1 . 1 87 87 GLY H H 1 8.652 0.020 . 1 . . . . . 87 GLY H . 50516 1 1005 . 1 . 1 87 87 GLY HA2 H 1 3.976 0.020 . 2 . . . . . 87 GLY HA1 . 50516 1 1006 . 1 . 1 87 87 GLY HA3 H 1 3.454 0.020 . 2 . . . . . 87 GLY HA2 . 50516 1 1007 . 1 . 1 87 87 GLY C C 13 175.419 0.3 . 1 . . . . . 87 GLY C . 50516 1 1008 . 1 . 1 87 87 GLY CA C 13 45.214 0.3 . 1 . . . . . 87 GLY CA . 50516 1 1009 . 1 . 1 87 87 GLY N N 15 106.018 0.3 . 1 . . . . . 87 GLY N . 50516 1 1010 . 1 . 1 88 88 TYR H H 1 7.028 0.020 . 1 . . . . . 88 TYR H . 50516 1 1011 . 1 . 1 88 88 TYR HA H 1 4.358 0.020 . 1 . . . . . 88 TYR HA . 50516 1 1012 . 1 . 1 88 88 TYR HB2 H 1 2.975 0.020 . 2 . . . . . 88 TYR HB2 . 50516 1 1013 . 1 . 1 88 88 TYR HB3 H 1 2.573 0.020 . 2 . . . . . 88 TYR HB3 . 50516 1 1014 . 1 . 1 88 88 TYR C C 13 177.638 0.3 . 1 . . . . . 88 TYR C . 50516 1 1015 . 1 . 1 88 88 TYR CA C 13 57.583 0.3 . 1 . . . . . 88 TYR CA . 50516 1 1016 . 1 . 1 88 88 TYR CB C 13 38.831 0.3 . 1 . . . . . 88 TYR CB . 50516 1 1017 . 1 . 1 88 88 TYR N N 15 121.962 0.3 . 1 . . . . . 88 TYR N . 50516 1 1018 . 1 . 1 89 89 VAL H H 1 8.767 0.020 . 1 . . . . . 89 VAL H . 50516 1 1019 . 1 . 1 89 89 VAL HA H 1 3.072 0.020 . 1 . . . . . 89 VAL HA . 50516 1 1020 . 1 . 1 89 89 VAL HB H 1 2.452 0.020 . 1 . . . . . 89 VAL HB . 50516 1 1021 . 1 . 1 89 89 VAL HG11 H 1 0.714 0.020 . 1 . . . . . 89 VAL HG1 . 50516 1 1022 . 1 . 1 89 89 VAL HG12 H 1 0.714 0.020 . 1 . . . . . 89 VAL HG1 . 50516 1 1023 . 1 . 1 89 89 VAL HG13 H 1 0.714 0.020 . 1 . . . . . 89 VAL HG1 . 50516 1 1024 . 1 . 1 89 89 VAL HG21 H 1 0.039 0.020 . 1 . . . . . 89 VAL HG2 . 50516 1 1025 . 1 . 1 89 89 VAL HG22 H 1 0.039 0.020 . 1 . . . . . 89 VAL HG2 . 50516 1 1026 . 1 . 1 89 89 VAL HG23 H 1 0.039 0.020 . 1 . . . . . 89 VAL HG2 . 50516 1 1027 . 1 . 1 89 89 VAL C C 13 180.579 0.3 . 1 . . . . . 89 VAL C . 50516 1 1028 . 1 . 1 89 89 VAL CA C 13 70.327 0.3 . 1 . . . . . 89 VAL CA . 50516 1 1029 . 1 . 1 89 89 VAL CB C 13 30.488 0.3 . 1 . . . . . 89 VAL CB . 50516 1 1030 . 1 . 1 89 89 VAL CG1 C 13 21.478 0.3 . 1 . . . . . 89 VAL CG1 . 50516 1 1031 . 1 . 1 89 89 VAL CG2 C 13 20.568 0.3 . 1 . . . . . 89 VAL CG2 . 50516 1 1032 . 1 . 1 89 89 VAL N N 15 127.148 0.3 . 1 . . . . . 89 VAL N . 50516 1 1033 . 1 . 1 90 90 THR H H 1 9.478 0.020 . 1 . . . . . 90 THR H . 50516 1 1034 . 1 . 1 90 90 THR HA H 1 3.831 0.020 . 1 . . . . . 90 THR HA . 50516 1 1035 . 1 . 1 90 90 THR HB H 1 4.295 0.020 . 1 . . . . . 90 THR HB . 50516 1 1036 . 1 . 1 90 90 THR HG21 H 1 1.365 0.020 . 1 . . . . . 90 THR HG2 . 50516 1 1037 . 1 . 1 90 90 THR HG22 H 1 1.365 0.020 . 1 . . . . . 90 THR HG2 . 50516 1 1038 . 1 . 1 90 90 THR HG23 H 1 1.365 0.020 . 1 . . . . . 90 THR HG2 . 50516 1 1039 . 1 . 1 90 90 THR C C 13 175.59 0.3 . 1 . . . . . 90 THR C . 50516 1 1040 . 1 . 1 90 90 THR CA C 13 65.017 0.3 . 1 . . . . . 90 THR CA . 50516 1 1041 . 1 . 1 90 90 THR CB C 13 68.393 0.3 . 1 . . . . . 90 THR CB . 50516 1 1042 . 1 . 1 90 90 THR CG2 C 13 22.038 0.3 . 1 . . . . . 90 THR CG2 . 50516 1 1043 . 1 . 1 90 90 THR N N 15 117.994 0.3 . 1 . . . . . 90 THR N . 50516 1 1044 . 1 . 1 91 91 HIS H H 1 7.817 0.020 . 1 . . . . . 91 HIS H . 50516 1 1045 . 1 . 1 91 91 HIS HA H 1 4.840 0.020 . 1 . . . . . 91 HIS HA . 50516 1 1046 . 1 . 1 91 91 HIS HB2 H 1 3.443 0.020 . 2 . . . . . 91 HIS HB2 . 50516 1 1047 . 1 . 1 91 91 HIS HB3 H 1 2.786 0.020 . 2 . . . . . 91 HIS HB3 . 50516 1 1048 . 1 . 1 91 91 HIS C C 13 176.160 0.3 . 1 . . . . . 91 HIS C . 50516 1 1049 . 1 . 1 91 91 HIS CA C 13 55.545 0.3 . 1 . . . . . 91 HIS CA . 50516 1 1050 . 1 . 1 91 91 HIS CB C 13 29.516 0.3 . 1 . . . . . 91 HIS CB . 50516 1 1051 . 1 . 1 91 91 HIS N N 15 118.877 0.3 . 1 . . . . . 91 HIS N . 50516 1 1052 . 1 . 1 92 92 GLY H H 1 7.787 0.020 . 1 . . . . . 92 GLY H . 50516 1 1053 . 1 . 1 92 92 GLY HA2 H 1 4.055 0.020 . 2 . . . . . 92 GLY HA1 . 50516 1 1054 . 1 . 1 92 92 GLY HA3 H 1 3.702 0.020 . 2 . . . . . 92 GLY HA2 . 50516 1 1055 . 1 . 1 92 92 GLY C C 13 173.681 0.3 . 1 . . . . . 92 GLY C . 50516 1 1056 . 1 . 1 92 92 GLY CA C 13 45.554 0.3 . 1 . . . . . 92 GLY CA . 50516 1 1057 . 1 . 1 92 92 GLY N N 15 106.421 0.3 . 1 . . . . . 92 GLY N . 50516 1 1058 . 1 . 1 93 93 LEU H H 1 6.862 0.020 . 1 . . . . . 93 LEU H . 50516 1 1059 . 1 . 1 93 93 LEU HA H 1 4.708 0.020 . 1 . . . . . 93 LEU HA . 50516 1 1060 . 1 . 1 93 93 LEU HB2 H 1 1.824 0.020 . 2 . . . . . 93 LEU HB2 . 50516 1 1061 . 1 . 1 93 93 LEU HB3 H 1 1.507 0.020 . 2 . . . . . 93 LEU HB3 . 50516 1 1062 . 1 . 1 93 93 LEU HG H 1 1.740 0.020 . 1 . . . . . 93 LEU HG . 50516 1 1063 . 1 . 1 93 93 LEU HD11 H 1 0.895 0.020 . 2 . . . . . 93 LEU HD1 . 50516 1 1064 . 1 . 1 93 93 LEU HD12 H 1 0.895 0.020 . 2 . . . . . 93 LEU HD1 . 50516 1 1065 . 1 . 1 93 93 LEU HD13 H 1 0.895 0.020 . 2 . . . . . 93 LEU HD1 . 50516 1 1066 . 1 . 1 93 93 LEU HD21 H 1 0.775 0.020 . 1 . . . . . 93 LEU HD2 . 50516 1 1067 . 1 . 1 93 93 LEU HD22 H 1 0.775 0.020 . 1 . . . . . 93 LEU HD2 . 50516 1 1068 . 1 . 1 93 93 LEU HD23 H 1 0.775 0.020 . 1 . . . . . 93 LEU HD2 . 50516 1 1069 . 1 . 1 93 93 LEU C C 13 178.757 0.3 . 1 . . . . . 93 LEU C . 50516 1 1070 . 1 . 1 93 93 LEU CA C 13 53.962 0.3 . 1 . . . . . 93 LEU CA . 50516 1 1071 . 1 . 1 93 93 LEU CB C 13 42.073 0.3 . 1 . . . . . 93 LEU CB . 50516 1 1072 . 1 . 1 93 93 LEU CG C 13 26.755 0.3 . 1 . . . . . 93 LEU CG . 50516 1 1073 . 1 . 1 93 93 LEU CD1 C 13 24.896 0.3 . 1 . . . . . 93 LEU CD1 . 50516 1 1074 . 1 . 1 93 93 LEU CD2 C 13 23.576 0.3 . 1 . . . . . 93 LEU CD2 . 50516 1 1075 . 1 . 1 93 93 LEU N N 15 114.993 0.3 . 1 . . . . . 93 LEU N . 50516 1 1076 . 1 . 1 94 94 ASN H H 1 9.243 0.020 . 1 . . . . . 94 ASN H . 50516 1 1077 . 1 . 1 94 94 ASN HA H 1 4.910 0.020 . 1 . . . . . 94 ASN HA . 50516 1 1078 . 1 . 1 94 94 ASN HB2 H 1 2.937 0.020 . 2 . . . . . 94 ASN HB2 . 50516 1 1079 . 1 . 1 94 94 ASN HB3 H 1 2.869 0.020 . 2 . . . . . 94 ASN HB3 . 50516 1 1080 . 1 . 1 94 94 ASN C C 13 175.341 0.3 . 1 . . . . . 94 ASN C . 50516 1 1081 . 1 . 1 94 94 ASN CA C 13 51.466 0.3 . 1 . . . . . 94 ASN CA . 50516 1 1082 . 1 . 1 94 94 ASN CB C 13 37.936 0.3 . 1 . . . . . 94 ASN CB . 50516 1 1083 . 1 . 1 94 94 ASN N N 15 122.137 0.3 . 1 . . . . . 94 ASN N . 50516 1 1084 . 1 . 1 95 95 LEU H H 1 8.647 0.020 . 1 . . . . . 95 LEU H . 50516 1 1085 . 1 . 1 95 95 LEU HA H 1 3.754 0.020 . 1 . . . . . 95 LEU HA . 50516 1 1086 . 1 . 1 95 95 LEU HB2 H 1 1.850 0.020 . 2 . . . . . 95 LEU HB2 . 50516 1 1087 . 1 . 1 95 95 LEU HB3 H 1 1.408 0.020 . 2 . . . . . 95 LEU HB3 . 50516 1 1088 . 1 . 1 95 95 LEU HG H 1 1.747 0.020 . 1 . . . . . 95 LEU HG . 50516 1 1089 . 1 . 1 95 95 LEU HD11 H 1 0.894 0.020 . 2 . . . . . 95 LEU HD1 . 50516 1 1090 . 1 . 1 95 95 LEU HD12 H 1 0.894 0.020 . 2 . . . . . 95 LEU HD1 . 50516 1 1091 . 1 . 1 95 95 LEU HD13 H 1 0.894 0.020 . 2 . . . . . 95 LEU HD1 . 50516 1 1092 . 1 . 1 95 95 LEU HD21 H 1 0.560 0.020 . 2 . . . . . 95 LEU HD2 . 50516 1 1093 . 1 . 1 95 95 LEU HD22 H 1 0.560 0.020 . 2 . . . . . 95 LEU HD2 . 50516 1 1094 . 1 . 1 95 95 LEU HD23 H 1 0.560 0.020 . 2 . . . . . 95 LEU HD2 . 50516 1 1095 . 1 . 1 95 95 LEU C C 13 177.318 0.3 . 1 . . . . . 95 LEU C . 50516 1 1096 . 1 . 1 95 95 LEU CA C 13 58.600 0.3 . 1 . . . . . 95 LEU CA . 50516 1 1097 . 1 . 1 95 95 LEU CB C 13 42.148 0.3 . 1 . . . . . 95 LEU CB . 50516 1 1098 . 1 . 1 95 95 LEU CG C 13 26.956 0.3 . 1 . . . . . 95 LEU CG . 50516 1 1099 . 1 . 1 95 95 LEU CD1 C 13 25.145 0.3 . 1 . . . . . 95 LEU CD1 . 50516 1 1100 . 1 . 1 95 95 LEU CD2 C 13 23.433 0.3 . 1 . . . . . 95 LEU CD2 . 50516 1 1101 . 1 . 1 95 95 LEU N N 15 118.620 0.3 . 1 . . . . . 95 LEU N . 50516 1 1102 . 1 . 1 96 96 GLU H H 1 7.766 0.020 . 1 . . . . . 96 GLU H . 50516 1 1103 . 1 . 1 96 96 GLU HA H 1 2.891 0.020 . 1 . . . . . 96 GLU HA . 50516 1 1104 . 1 . 1 96 96 GLU HB2 H 1 1.503 0.020 . 2 . . . . . 96 GLU HB2 . 50516 1 1105 . 1 . 1 96 96 GLU HB3 H 1 0.668 0.020 . 2 . . . . . 96 GLU HB3 . 50516 1 1106 . 1 . 1 96 96 GLU HG2 H 1 1.605 0.020 . 2 . . . . . 96 GLU HG2 . 50516 1 1107 . 1 . 1 96 96 GLU HG3 H 1 1.387 0.020 . 2 . . . . . 96 GLU HG3 . 50516 1 1108 . 1 . 1 96 96 GLU C C 13 178.535 0.3 . 1 . . . . . 96 GLU C . 50516 1 1109 . 1 . 1 96 96 GLU CA C 13 59.665 0.3 . 1 . . . . . 96 GLU CA . 50516 1 1110 . 1 . 1 96 96 GLU CB C 13 28.429 0.3 . 1 . . . . . 96 GLU CB . 50516 1 1111 . 1 . 1 96 96 GLU CG C 13 35.772 0.3 . 1 . . . . . 96 GLU CG . 50516 1 1112 . 1 . 1 96 96 GLU N N 15 120.126 0.3 . 1 . . . . . 96 GLU N . 50516 1 1113 . 1 . 1 97 97 GLU H H 1 8.641 0.020 . 1 . . . . . 97 GLU H . 50516 1 1114 . 1 . 1 97 97 GLU HA H 1 3.749 0.020 . 1 . . . . . 97 GLU HA . 50516 1 1115 . 1 . 1 97 97 GLU HB2 H 1 2.193 0.020 . 2 . . . . . 97 GLU HB2 . 50516 1 1116 . 1 . 1 97 97 GLU HB3 H 1 1.904 0.020 . 2 . . . . . 97 GLU HB3 . 50516 1 1117 . 1 . 1 97 97 GLU HG2 H 1 2.463 0.020 . 2 . . . . . 97 GLU HG2 . 50516 1 1118 . 1 . 1 97 97 GLU HG3 H 1 2.148 0.020 . 2 . . . . . 97 GLU HG3 . 50516 1 1119 . 1 . 1 97 97 GLU C C 13 179.949 0.3 . 1 . . . . . 97 GLU C . 50516 1 1120 . 1 . 1 97 97 GLU CA C 13 58.641 0.3 . 1 . . . . . 97 GLU CA . 50516 1 1121 . 1 . 1 97 97 GLU CB C 13 31.154 0.3 . 1 . . . . . 97 GLU CB . 50516 1 1122 . 1 . 1 97 97 GLU CG C 13 36.955 0.3 . 1 . . . . . 97 GLU CG . 50516 1 1123 . 1 . 1 97 97 GLU N N 15 118.668 0.3 . 1 . . . . . 97 GLU N . 50516 1 1124 . 1 . 1 98 98 ALA H H 1 8.483 0.020 . 1 . . . . . 98 ALA H . 50516 1 1125 . 1 . 1 98 98 ALA HA H 1 4.271 0.020 . 1 . . . . . 98 ALA HA . 50516 1 1126 . 1 . 1 98 98 ALA HB1 H 1 1.356 0.020 . 1 . . . . . 98 ALA HB . 50516 1 1127 . 1 . 1 98 98 ALA HB2 H 1 1.356 0.020 . 1 . . . . . 98 ALA HB . 50516 1 1128 . 1 . 1 98 98 ALA HB3 H 1 1.356 0.020 . 1 . . . . . 98 ALA HB . 50516 1 1129 . 1 . 1 98 98 ALA C C 13 179.686 0.3 . 1 . . . . . 98 ALA C . 50516 1 1130 . 1 . 1 98 98 ALA CA C 13 55.387 0.3 . 1 . . . . . 98 ALA CA . 50516 1 1131 . 1 . 1 98 98 ALA CB C 13 18.566 0.3 . 1 . . . . . 98 ALA CB . 50516 1 1132 . 1 . 1 98 98 ALA N N 15 121.465 0.3 . 1 . . . . . 98 ALA N . 50516 1 1133 . 1 . 1 99 99 ALA H H 1 8.604 0.020 . 1 . . . . . 99 ALA H . 50516 1 1134 . 1 . 1 99 99 ALA HA H 1 3.850 0.020 . 1 . . . . . 99 ALA HA . 50516 1 1135 . 1 . 1 99 99 ALA HB1 H 1 1.153 0.020 . 1 . . . . . 99 ALA HB . 50516 1 1136 . 1 . 1 99 99 ALA HB2 H 1 1.153 0.020 . 1 . . . . . 99 ALA HB . 50516 1 1137 . 1 . 1 99 99 ALA HB3 H 1 1.153 0.020 . 1 . . . . . 99 ALA HB . 50516 1 1138 . 1 . 1 99 99 ALA C C 13 178.723 0.3 . 1 . . . . . 99 ALA C . 50516 1 1139 . 1 . 1 99 99 ALA CA C 13 55.386 0.3 . 1 . . . . . 99 ALA CA . 50516 1 1140 . 1 . 1 99 99 ALA CB C 13 18.532 0.3 . 1 . . . . . 99 ALA CB . 50516 1 1141 . 1 . 1 99 99 ALA N N 15 120.574 0.3 . 1 . . . . . 99 ALA N . 50516 1 1142 . 1 . 1 100 100 ARG H H 1 7.546 0.020 . 1 . . . . . 100 ARG H . 50516 1 1143 . 1 . 1 100 100 ARG HA H 1 3.646 0.020 . 1 . . . . . 100 ARG HA . 50516 1 1144 . 1 . 1 100 100 ARG HB2 H 1 1.781 0.020 . 2 . . . . . 100 ARG HB2 . 50516 1 1145 . 1 . 1 100 100 ARG HB3 H 1 1.797 0.020 . 2 . . . . . 100 ARG HB3 . 50516 1 1146 . 1 . 1 100 100 ARG HG2 H 1 1.640 0.020 . 1 . . . . . 100 ARG HG2 . 50516 1 1147 . 1 . 1 100 100 ARG HG3 H 1 1.640 0.020 . 1 . . . . . 100 ARG HG3 . 50516 1 1148 . 1 . 1 100 100 ARG HD2 H 1 2.956 0.020 . 2 . . . . . 100 ARG HD2 . 50516 1 1149 . 1 . 1 100 100 ARG HD3 H 1 2.941 0.020 . 2 . . . . . 100 ARG HD3 . 50516 1 1150 . 1 . 1 100 100 ARG C C 13 180.484 0.3 . 1 . . . . . 100 ARG C . 50516 1 1151 . 1 . 1 100 100 ARG CA C 13 59.959 0.3 . 1 . . . . . 100 ARG CA . 50516 1 1152 . 1 . 1 100 100 ARG CB C 13 29.266 0.3 . 1 . . . . . 100 ARG CB . 50516 1 1153 . 1 . 1 100 100 ARG CG C 13 27.614 0.3 . 1 . . . . . 100 ARG CG . 50516 1 1154 . 1 . 1 100 100 ARG CD C 13 43.313 0.3 . 1 . . . . . 100 ARG CD . 50516 1 1155 . 1 . 1 100 100 ARG N N 15 115.017 0.3 . 1 . . . . . 100 ARG N . 50516 1 1156 . 1 . 1 101 101 TYR H H 1 7.497 0.020 . 1 . . . . . 101 TYR H . 50516 1 1157 . 1 . 1 101 101 TYR HA H 1 4.067 0.020 . 1 . . . . . 101 TYR HA . 50516 1 1158 . 1 . 1 101 101 TYR HB2 H 1 2.916 0.020 . 2 . . . . . 101 TYR HB2 . 50516 1 1159 . 1 . 1 101 101 TYR HB3 H 1 2.602 0.020 . 2 . . . . . 101 TYR HB3 . 50516 1 1160 . 1 . 1 101 101 TYR C C 13 179.006 0.3 . 1 . . . . . 101 TYR C . 50516 1 1161 . 1 . 1 101 101 TYR CA C 13 63.020 0.3 . 1 . . . . . 101 TYR CA . 50516 1 1162 . 1 . 1 101 101 TYR CB C 13 38.172 0.3 . 1 . . . . . 101 TYR CB . 50516 1 1163 . 1 . 1 101 101 TYR N N 15 117.997 0.3 . 1 . . . . . 101 TYR N . 50516 1 1164 . 1 . 1 102 102 MET H H 1 8.516 0.020 . 1 . . . . . 102 MET H . 50516 1 1165 . 1 . 1 102 102 MET HA H 1 4.201 0.020 . 1 . . . . . 102 MET HA . 50516 1 1166 . 1 . 1 102 102 MET HB2 H 1 2.000 0.020 . 1 . . . . . 102 MET HB2 . 50516 1 1167 . 1 . 1 102 102 MET HB3 H 1 2.000 0.020 . 1 . . . . . 102 MET HB3 . 50516 1 1168 . 1 . 1 102 102 MET HG2 H 1 2.593 0.020 . 2 . . . . . 102 MET HG2 . 50516 1 1169 . 1 . 1 102 102 MET HG3 H 1 2.645 0.020 . 2 . . . . . 102 MET HG3 . 50516 1 1170 . 1 . 1 102 102 MET C C 13 179.168 0.3 . 1 . . . . . 102 MET C . 50516 1 1171 . 1 . 1 102 102 MET CA C 13 56.498 0.3 . 1 . . . . . 102 MET CA . 50516 1 1172 . 1 . 1 102 102 MET CB C 13 30.169 0.3 . 1 . . . . . 102 MET CB . 50516 1 1173 . 1 . 1 102 102 MET CG C 13 29.686 0.3 . 1 . . . . . 102 MET CG . 50516 1 1174 . 1 . 1 102 102 MET N N 15 118.392 0.3 . 1 . . . . . 102 MET N . 50516 1 1175 . 1 . 1 103 103 ARG H H 1 7.619 0.020 . 1 . . . . . 103 ARG H . 50516 1 1176 . 1 . 1 103 103 ARG HA H 1 4.058 0.020 . 1 . . . . . 103 ARG HA . 50516 1 1177 . 1 . 1 103 103 ARG HB2 H 1 1.887 0.020 . 2 . . . . . 103 ARG HB2 . 50516 1 1178 . 1 . 1 103 103 ARG HB3 H 1 1.842 0.020 . 2 . . . . . 103 ARG HB3 . 50516 1 1179 . 1 . 1 103 103 ARG HG2 H 1 1.677 0.020 . 2 . . . . . 103 ARG HG2 . 50516 1 1180 . 1 . 1 103 103 ARG HG3 H 1 1.665 0.020 . 2 . . . . . 103 ARG HG3 . 50516 1 1181 . 1 . 1 103 103 ARG HD2 H 1 3.161 0.020 . 1 . . . . . 103 ARG HD2 . 50516 1 1182 . 1 . 1 103 103 ARG HD3 H 1 3.161 0.020 . 1 . . . . . 103 ARG HD3 . 50516 1 1183 . 1 . 1 103 103 ARG C C 13 177.302 0.3 . 1 . . . . . 103 ARG C . 50516 1 1184 . 1 . 1 103 103 ARG CA C 13 58.675 0.3 . 1 . . . . . 103 ARG CA . 50516 1 1185 . 1 . 1 103 103 ARG CB C 13 30.797 0.3 . 1 . . . . . 103 ARG CB . 50516 1 1186 . 1 . 1 103 103 ARG CG C 13 27.270 0.3 . 1 . . . . . 103 ARG CG . 50516 1 1187 . 1 . 1 103 103 ARG CD C 13 43.932 0.3 . 1 . . . . . 103 ARG CD . 50516 1 1188 . 1 . 1 103 103 ARG N N 15 119.138 0.3 . 1 . . . . . 103 ARG N . 50516 1 1189 . 1 . 1 104 104 SER H H 1 8.057 0.020 . 1 . . . . . 104 SER H . 50516 1 1190 . 1 . 1 104 104 SER HA H 1 4.357 0.020 . 1 . . . . . 104 SER HA . 50516 1 1191 . 1 . 1 104 104 SER HB2 H 1 4.086 0.020 . 2 . . . . . 104 SER HB2 . 50516 1 1192 . 1 . 1 104 104 SER HB3 H 1 3.962 0.020 . 2 . . . . . 104 SER HB3 . 50516 1 1193 . 1 . 1 104 104 SER C C 13 174.467 0.3 . 1 . . . . . 104 SER C . 50516 1 1194 . 1 . 1 104 104 SER CA C 13 59.400 0.3 . 1 . . . . . 104 SER CA . 50516 1 1195 . 1 . 1 104 104 SER CB C 13 64.177 0.3 . 1 . . . . . 104 SER CB . 50516 1 1196 . 1 . 1 104 104 SER N N 15 112.411 0.3 . 1 . . . . . 104 SER N . 50516 1 1197 . 1 . 1 105 105 LEU H H 1 7.600 0.020 . 1 . . . . . 105 LEU H . 50516 1 1198 . 1 . 1 105 105 LEU HA H 1 4.396 0.020 . 1 . . . . . 105 LEU HA . 50516 1 1199 . 1 . 1 105 105 LEU HB2 H 1 1.719 0.020 . 2 . . . . . 105 LEU HB2 . 50516 1 1200 . 1 . 1 105 105 LEU HB3 H 1 1.690 0.020 . 2 . . . . . 105 LEU HB3 . 50516 1 1201 . 1 . 1 105 105 LEU HG H 1 1.569 0.020 . 1 . . . . . 105 LEU HG . 50516 1 1202 . 1 . 1 105 105 LEU HD11 H 1 0.759 0.020 . 2 . . . . . 105 LEU HD1 . 50516 1 1203 . 1 . 1 105 105 LEU HD12 H 1 0.759 0.020 . 2 . . . . . 105 LEU HD1 . 50516 1 1204 . 1 . 1 105 105 LEU HD13 H 1 0.759 0.020 . 2 . . . . . 105 LEU HD1 . 50516 1 1205 . 1 . 1 105 105 LEU HD21 H 1 0.812 0.020 . 2 . . . . . 105 LEU HD2 . 50516 1 1206 . 1 . 1 105 105 LEU HD22 H 1 0.812 0.020 . 2 . . . . . 105 LEU HD2 . 50516 1 1207 . 1 . 1 105 105 LEU HD23 H 1 0.812 0.020 . 2 . . . . . 105 LEU HD2 . 50516 1 1208 . 1 . 1 105 105 LEU C C 13 177.327 0.3 . 1 . . . . . 105 LEU C . 50516 1 1209 . 1 . 1 105 105 LEU CA C 13 55.868 0.3 . 1 . . . . . 105 LEU CA . 50516 1 1210 . 1 . 1 105 105 LEU CB C 13 43.290 0.3 . 1 . . . . . 105 LEU CB . 50516 1 1211 . 1 . 1 105 105 LEU CG C 13 27.468 0.3 . 1 . . . . . 105 LEU CG . 50516 1 1212 . 1 . 1 105 105 LEU CD1 C 13 25.768 0.3 . 1 . . . . . 105 LEU CD1 . 50516 1 1213 . 1 . 1 105 105 LEU CD2 C 13 25.274 0.3 . 1 . . . . . 105 LEU CD2 . 50516 1 1214 . 1 . 1 105 105 LEU N N 15 124.136 0.3 . 1 . . . . . 105 LEU N . 50516 1 1215 . 1 . 1 106 106 LYS H H 1 9.760 0.020 . 1 . . . . . 106 LYS H . 50516 1 1216 . 1 . 1 106 106 LYS HA H 1 4.319 0.020 . 1 . . . . . 106 LYS HA . 50516 1 1217 . 1 . 1 106 106 LYS HB2 H 1 1.897 0.020 . 2 . . . . . 106 LYS HB2 . 50516 1 1218 . 1 . 1 106 106 LYS HB3 H 1 1.339 0.020 . 2 . . . . . 106 LYS HB3 . 50516 1 1219 . 1 . 1 106 106 LYS HG2 H 1 0.843 0.020 . 2 . . . . . 106 LYS HG2 . 50516 1 1220 . 1 . 1 106 106 LYS HG3 H 1 0.553 0.020 . 2 . . . . . 106 LYS HG3 . 50516 1 1221 . 1 . 1 106 106 LYS HD2 H 1 1.271 0.020 . 2 . . . . . 106 LYS HD2 . 50516 1 1222 . 1 . 1 106 106 LYS HD3 H 1 1.368 0.020 . 2 . . . . . 106 LYS HD3 . 50516 1 1223 . 1 . 1 106 106 LYS HE2 H 1 2.795 0.020 . 2 . . . . . 106 LYS HE2 . 50516 1 1224 . 1 . 1 106 106 LYS HE3 H 1 2.890 0.020 . 2 . . . . . 106 LYS HE3 . 50516 1 1225 . 1 . 1 106 106 LYS C C 13 176.491 0.3 . 1 . . . . . 106 LYS C . 50516 1 1226 . 1 . 1 106 106 LYS CA C 13 55.748 0.3 . 1 . . . . . 106 LYS CA . 50516 1 1227 . 1 . 1 106 106 LYS CB C 13 33.394 0.3 . 1 . . . . . 106 LYS CB . 50516 1 1228 . 1 . 1 106 106 LYS CG C 13 25.126 0.3 . 1 . . . . . 106 LYS CG . 50516 1 1229 . 1 . 1 106 106 LYS CD C 13 29.136 0.3 . 1 . . . . . 106 LYS CD . 50516 1 1230 . 1 . 1 106 106 LYS CE C 13 42.206 0.3 . 1 . . . . . 106 LYS CE . 50516 1 1231 . 1 . 1 106 106 LYS N N 15 124.858 0.3 . 1 . . . . . 106 LYS N . 50516 1 1232 . 1 . 1 107 107 VAL H H 1 6.771 0.020 . 1 . . . . . 107 VAL H . 50516 1 1233 . 1 . 1 107 107 VAL HA H 1 4.538 0.020 . 1 . . . . . 107 VAL HA . 50516 1 1234 . 1 . 1 107 107 VAL HB H 1 2.151 0.020 . 1 . . . . . 107 VAL HB . 50516 1 1235 . 1 . 1 107 107 VAL HG11 H 1 0.991 0.020 . 1 . . . . . 107 VAL HG1 . 50516 1 1236 . 1 . 1 107 107 VAL HG12 H 1 0.991 0.020 . 1 . . . . . 107 VAL HG1 . 50516 1 1237 . 1 . 1 107 107 VAL HG13 H 1 0.991 0.020 . 1 . . . . . 107 VAL HG1 . 50516 1 1238 . 1 . 1 107 107 VAL HG21 H 1 0.779 0.020 . 1 . . . . . 107 VAL HG2 . 50516 1 1239 . 1 . 1 107 107 VAL HG22 H 1 0.779 0.020 . 1 . . . . . 107 VAL HG2 . 50516 1 1240 . 1 . 1 107 107 VAL HG23 H 1 0.779 0.020 . 1 . . . . . 107 VAL HG2 . 50516 1 1241 . 1 . 1 107 107 VAL C C 13 172.170 0.3 . 1 . . . . . 107 VAL C . 50516 1 1242 . 1 . 1 107 107 VAL CA C 13 57.341 0.3 . 1 . . . . . 107 VAL CA . 50516 1 1243 . 1 . 1 107 107 VAL CB C 13 30.977 0.3 . 1 . . . . . 107 VAL CB . 50516 1 1244 . 1 . 1 107 107 VAL CG1 C 13 23.634 0.3 . 1 . . . . . 107 VAL CG1 . 50516 1 1245 . 1 . 1 107 107 VAL CG2 C 13 18.167 0.3 . 1 . . . . . 107 VAL CG2 . 50516 1 1246 . 1 . 1 107 107 VAL N N 15 112.327 0.3 . 1 . . . . . 107 VAL N . 50516 1 1247 . 1 . 1 108 108 PRO HA H 1 4.380 0.020 . 1 . . . . . 108 PRO HA . 50516 1 1248 . 1 . 1 108 108 PRO HB2 H 1 1.928 0.020 . 2 . . . . . 108 PRO HB2 . 50516 1 1249 . 1 . 1 108 108 PRO HB3 H 1 2.206 0.020 . 2 . . . . . 108 PRO HB3 . 50516 1 1250 . 1 . 1 108 108 PRO HG2 H 1 1.988 0.020 . 2 . . . . . 108 PRO HG2 . 50516 1 1251 . 1 . 1 108 108 PRO HG3 H 1 1.793 0.020 . 2 . . . . . 108 PRO HG3 . 50516 1 1252 . 1 . 1 108 108 PRO HD2 H 1 3.759 0.020 . 2 . . . . . 108 PRO HD2 . 50516 1 1253 . 1 . 1 108 108 PRO HD3 H 1 3.564 0.020 . 2 . . . . . 108 PRO HD3 . 50516 1 1254 . 1 . 1 108 108 PRO C C 13 175.462 0.3 . 1 . . . . . 108 PRO C . 50516 1 1255 . 1 . 1 108 108 PRO CA C 13 62.458 0.3 . 1 . . . . . 108 PRO CA . 50516 1 1256 . 1 . 1 108 108 PRO CB C 13 31.569 0.3 . 1 . . . . . 108 PRO CB . 50516 1 1257 . 1 . 1 108 108 PRO CG C 13 27.842 0.3 . 1 . . . . . 108 PRO CG . 50516 1 1258 . 1 . 1 108 108 PRO CD C 13 50.568 0.3 . 1 . . . . . 108 PRO CD . 50516 1 1259 . 1 . 1 109 109 ALA H H 1 7.935 0.020 . 1 . . . . . 109 ALA H . 50516 1 1260 . 1 . 1 109 109 ALA HA H 1 5.051 0.020 . 1 . . . . . 109 ALA HA . 50516 1 1261 . 1 . 1 109 109 ALA HB1 H 1 0.998 0.020 . 1 . . . . . 109 ALA HB . 50516 1 1262 . 1 . 1 109 109 ALA HB2 H 1 0.998 0.020 . 1 . . . . . 109 ALA HB . 50516 1 1263 . 1 . 1 109 109 ALA HB3 H 1 0.998 0.020 . 1 . . . . . 109 ALA HB . 50516 1 1264 . 1 . 1 109 109 ALA C C 13 176.357 0.3 . 1 . . . . . 109 ALA C . 50516 1 1265 . 1 . 1 109 109 ALA CA C 13 51.081 0.3 . 1 . . . . . 109 ALA CA . 50516 1 1266 . 1 . 1 109 109 ALA CB C 13 21.991 0.3 . 1 . . . . . 109 ALA CB . 50516 1 1267 . 1 . 1 109 109 ALA N N 15 119.724 0.3 . 1 . . . . . 109 ALA N . 50516 1 1268 . 1 . 1 110 110 THR H H 1 8.450 0.020 . 1 . . . . . 110 THR H . 50516 1 1269 . 1 . 1 110 110 THR HA H 1 4.394 0.020 . 1 . . . . . 110 THR HA . 50516 1 1270 . 1 . 1 110 110 THR HB H 1 3.766 0.020 . 1 . . . . . 110 THR HB . 50516 1 1271 . 1 . 1 110 110 THR HG21 H 1 0.564 0.020 . 1 . . . . . 110 THR HG2 . 50516 1 1272 . 1 . 1 110 110 THR HG22 H 1 0.564 0.020 . 1 . . . . . 110 THR HG2 . 50516 1 1273 . 1 . 1 110 110 THR HG23 H 1 0.564 0.020 . 1 . . . . . 110 THR HG2 . 50516 1 1274 . 1 . 1 110 110 THR C C 13 176.381 0.3 . 1 . . . . . 110 THR C . 50516 1 1275 . 1 . 1 110 110 THR CA C 13 62.758 0.3 . 1 . . . . . 110 THR CA . 50516 1 1276 . 1 . 1 110 110 THR CB C 13 70.203 0.3 . 1 . . . . . 110 THR CB . 50516 1 1277 . 1 . 1 110 110 THR CG2 C 13 21.784 0.3 . 1 . . . . . 110 THR CG2 . 50516 1 1278 . 1 . 1 110 110 THR N N 15 123.162 0.3 . 1 . . . . . 110 THR N . 50516 1 1279 . 1 . 1 111 111 VAL H H 1 8.489 0.020 . 1 . . . . . 111 VAL H . 50516 1 1280 . 1 . 1 111 111 VAL HA H 1 4.736 0.020 . 1 . . . . . 111 VAL HA . 50516 1 1281 . 1 . 1 111 111 VAL HB H 1 1.695 0.020 . 1 . . . . . 111 VAL HB . 50516 1 1282 . 1 . 1 111 111 VAL HG11 H 1 0.595 0.020 . 1 . . . . . 111 VAL HG1 . 50516 1 1283 . 1 . 1 111 111 VAL HG12 H 1 0.595 0.020 . 1 . . . . . 111 VAL HG1 . 50516 1 1284 . 1 . 1 111 111 VAL HG13 H 1 0.595 0.020 . 1 . . . . . 111 VAL HG1 . 50516 1 1285 . 1 . 1 111 111 VAL HG21 H 1 0.255 0.020 . 1 . . . . . 111 VAL HG2 . 50516 1 1286 . 1 . 1 111 111 VAL HG22 H 1 0.255 0.020 . 1 . . . . . 111 VAL HG2 . 50516 1 1287 . 1 . 1 111 111 VAL HG23 H 1 0.255 0.020 . 1 . . . . . 111 VAL HG2 . 50516 1 1288 . 1 . 1 111 111 VAL C C 13 173.969 0.3 . 1 . . . . . 111 VAL C . 50516 1 1289 . 1 . 1 111 111 VAL CA C 13 60.335 0.3 . 1 . . . . . 111 VAL CA . 50516 1 1290 . 1 . 1 111 111 VAL CB C 13 32.783 0.3 . 1 . . . . . 111 VAL CB . 50516 1 1291 . 1 . 1 111 111 VAL CG1 C 13 21.584 0.3 . 1 . . . . . 111 VAL CG1 . 50516 1 1292 . 1 . 1 111 111 VAL CG2 C 13 20.120 0.3 . 1 . . . . . 111 VAL CG2 . 50516 1 1293 . 1 . 1 111 111 VAL N N 15 128.645 0.3 . 1 . . . . . 111 VAL N . 50516 1 1294 . 1 . 1 112 112 SER H H 1 8.587 0.020 . 1 . . . . . 112 SER H . 50516 1 1295 . 1 . 1 112 112 SER HA H 1 4.893 0.020 . 1 . . . . . 112 SER HA . 50516 1 1296 . 1 . 1 112 112 SER HB2 H 1 3.724 0.020 . 2 . . . . . 112 SER HB2 . 50516 1 1297 . 1 . 1 112 112 SER HB3 H 1 2.921 0.020 . 2 . . . . . 112 SER HB3 . 50516 1 1298 . 1 . 1 112 112 SER C C 13 178.476 0.3 . 1 . . . . . 112 SER C . 50516 1 1299 . 1 . 1 112 112 SER CA C 13 54.416 0.3 . 1 . . . . . 112 SER CA . 50516 1 1300 . 1 . 1 112 112 SER CB C 13 64.820 0.3 . 1 . . . . . 112 SER CB . 50516 1 1301 . 1 . 1 112 112 SER N N 15 119.576 0.3 . 1 . . . . . 112 SER N . 50516 1 1302 . 1 . 1 113 113 VAL H H 1 8.594 0.020 . 1 . . . . . 113 VAL H . 50516 1 1303 . 1 . 1 113 113 VAL HA H 1 4.560 0.020 . 1 . . . . . 113 VAL HA . 50516 1 1304 . 1 . 1 113 113 VAL HB H 1 2.084 0.020 . 1 . . . . . 113 VAL HB . 50516 1 1305 . 1 . 1 113 113 VAL HG11 H 1 0.301 0.020 . 1 . . . . . 113 VAL HG1 . 50516 1 1306 . 1 . 1 113 113 VAL HG12 H 1 0.301 0.020 . 1 . . . . . 113 VAL HG1 . 50516 1 1307 . 1 . 1 113 113 VAL HG13 H 1 0.301 0.020 . 1 . . . . . 113 VAL HG1 . 50516 1 1308 . 1 . 1 113 113 VAL HG21 H 1 0.256 0.020 . 1 . . . . . 113 VAL HG2 . 50516 1 1309 . 1 . 1 113 113 VAL HG22 H 1 0.256 0.020 . 1 . . . . . 113 VAL HG2 . 50516 1 1310 . 1 . 1 113 113 VAL HG23 H 1 0.256 0.020 . 1 . . . . . 113 VAL HG2 . 50516 1 1311 . 1 . 1 113 113 VAL C C 13 178.476 0.3 . 1 . . . . . 113 VAL C . 50516 1 1312 . 1 . 1 113 113 VAL CA C 13 59.630 0.3 . 1 . . . . . 113 VAL CA . 50516 1 1313 . 1 . 1 113 113 VAL CB C 13 32.960 0.3 . 1 . . . . . 113 VAL CB . 50516 1 1314 . 1 . 1 113 113 VAL CG1 C 13 21.857 0.3 . 1 . . . . . 113 VAL CG1 . 50516 1 1315 . 1 . 1 113 113 VAL CG2 C 13 19.898 0.3 . 1 . . . . . 113 VAL CG2 . 50516 1 1316 . 1 . 1 113 113 VAL N N 15 119.312 0.3 . 1 . . . . . 113 VAL N . 50516 1 1317 . 1 . 1 114 114 SER H H 1 8.413 0.020 . 1 . . . . . 114 SER H . 50516 1 1318 . 1 . 1 114 114 SER HA H 1 4.008 0.020 . 1 . . . . . 114 SER HA . 50516 1 1319 . 1 . 1 114 114 SER HB2 H 1 3.944 0.020 . 2 . . . . . 114 SER HB2 . 50516 1 1320 . 1 . 1 114 114 SER HB3 H 1 4.008 0.020 . 2 . . . . . 114 SER HB3 . 50516 1 1321 . 1 . 1 114 114 SER C C 13 178.446 0.3 . 1 . . . . . 114 SER C . 50516 1 1322 . 1 . 1 114 114 SER CA C 13 61.709 0.3 . 1 . . . . . 114 SER CA . 50516 1 1323 . 1 . 1 114 114 SER CB C 13 63.899 0.3 . 1 . . . . . 114 SER CB . 50516 1 1324 . 1 . 1 114 114 SER N N 15 112.822 0.3 . 1 . . . . . 114 SER N . 50516 1 1325 . 1 . 1 115 115 SER H H 1 7.344 0.020 . 1 . . . . . 115 SER H . 50516 1 1326 . 1 . 1 115 115 SER HA H 1 4.949 0.020 . 1 . . . . . 115 SER HA . 50516 1 1327 . 1 . 1 115 115 SER HB2 H 1 4.113 0.020 . 2 . . . . . 115 SER HB2 . 50516 1 1328 . 1 . 1 115 115 SER HB3 H 1 3.807 0.020 . 2 . . . . . 115 SER HB3 . 50516 1 1329 . 1 . 1 115 115 SER C C 13 173.537 0.3 . 1 . . . . . 115 SER C . 50516 1 1330 . 1 . 1 115 115 SER CA C 13 56.256 0.3 . 1 . . . . . 115 SER CA . 50516 1 1331 . 1 . 1 115 115 SER CB C 13 64.394 0.3 . 1 . . . . . 115 SER CB . 50516 1 1332 . 1 . 1 115 115 SER N N 15 114.440 0.3 . 1 . . . . . 115 SER N . 50516 1 1333 . 1 . 1 116 116 PRO HA H 1 4.176 0.020 . 1 . . . . . 116 PRO HA . 50516 1 1334 . 1 . 1 116 116 PRO HB2 H 1 2.372 0.020 . 2 . . . . . 116 PRO HB2 . 50516 1 1335 . 1 . 1 116 116 PRO HB3 H 1 1.945 0.020 . 2 . . . . . 116 PRO HB3 . 50516 1 1336 . 1 . 1 116 116 PRO HG2 H 1 2.130 0.020 . 2 . . . . . 116 PRO HG2 . 50516 1 1337 . 1 . 1 116 116 PRO HG3 H 1 1.990 0.020 . 2 . . . . . 116 PRO HG3 . 50516 1 1338 . 1 . 1 116 116 PRO HD2 H 1 3.852 0.020 . 2 . . . . . 116 PRO HD2 . 50516 1 1339 . 1 . 1 116 116 PRO HD3 H 1 3.829 0.020 . 2 . . . . . 116 PRO HD3 . 50516 1 1340 . 1 . 1 116 116 PRO C C 13 179.261 0.3 . 1 . . . . . 116 PRO C . 50516 1 1341 . 1 . 1 116 116 PRO CA C 13 65.493 0.3 . 1 . . . . . 116 PRO CA . 50516 1 1342 . 1 . 1 116 116 PRO CB C 13 31.979 0.3 . 1 . . . . . 116 PRO CB . 50516 1 1343 . 1 . 1 116 116 PRO CG C 13 27.893 0.3 . 1 . . . . . 116 PRO CG . 50516 1 1344 . 1 . 1 116 116 PRO CD C 13 51.063 0.3 . 1 . . . . . 116 PRO CD . 50516 1 1345 . 1 . 1 117 117 ASP H H 1 8.231 0.020 . 1 . . . . . 117 ASP H . 50516 1 1346 . 1 . 1 117 117 ASP HA H 1 4.364 0.020 . 1 . . . . . 117 ASP HA . 50516 1 1347 . 1 . 1 117 117 ASP HB2 H 1 2.474 0.020 . 2 . . . . . 117 ASP HB2 . 50516 1 1348 . 1 . 1 117 117 ASP HB3 H 1 2.570 0.020 . 2 . . . . . 117 ASP HB3 . 50516 1 1349 . 1 . 1 117 117 ASP C C 13 177.873 0.3 . 1 . . . . . 117 ASP C . 50516 1 1350 . 1 . 1 117 117 ASP CA C 13 56.418 0.3 . 1 . . . . . 117 ASP CA . 50516 1 1351 . 1 . 1 117 117 ASP CB C 13 39.960 0.3 . 1 . . . . . 117 ASP CB . 50516 1 1352 . 1 . 1 117 117 ASP N N 15 116.337 0.3 . 1 . . . . . 117 ASP N . 50516 1 1353 . 1 . 1 118 118 ALA H H 1 7.796 0.020 . 1 . . . . . 118 ALA H . 50516 1 1354 . 1 . 1 118 118 ALA HA H 1 4.208 0.020 . 1 . . . . . 118 ALA HA . 50516 1 1355 . 1 . 1 118 118 ALA HB1 H 1 1.380 0.020 . 1 . . . . . 118 ALA HB . 50516 1 1356 . 1 . 1 118 118 ALA HB2 H 1 1.380 0.020 . 1 . . . . . 118 ALA HB . 50516 1 1357 . 1 . 1 118 118 ALA HB3 H 1 1.380 0.020 . 1 . . . . . 118 ALA HB . 50516 1 1358 . 1 . 1 118 118 ALA C C 13 178.297 0.3 . 1 . . . . . 118 ALA C . 50516 1 1359 . 1 . 1 118 118 ALA CA C 13 53.688 0.3 . 1 . . . . . 118 ALA CA . 50516 1 1360 . 1 . 1 118 118 ALA CB C 13 18.285 0.3 . 1 . . . . . 118 ALA CB . 50516 1 1361 . 1 . 1 118 118 ALA N N 15 122.830 0.3 . 1 . . . . . 118 ALA N . 50516 1 1362 . 1 . 1 119 119 VAL H H 1 7.477 0.020 . 1 . . . . . 119 VAL H . 50516 1 1363 . 1 . 1 119 119 VAL HA H 1 3.227 0.020 . 1 . . . . . 119 VAL HA . 50516 1 1364 . 1 . 1 119 119 VAL HB H 1 2.183 0.020 . 1 . . . . . 119 VAL HB . 50516 1 1365 . 1 . 1 119 119 VAL HG11 H 1 0.663 0.020 . 1 . . . . . 119 VAL HG1 . 50516 1 1366 . 1 . 1 119 119 VAL HG12 H 1 0.663 0.020 . 1 . . . . . 119 VAL HG1 . 50516 1 1367 . 1 . 1 119 119 VAL HG13 H 1 0.663 0.020 . 1 . . . . . 119 VAL HG1 . 50516 1 1368 . 1 . 1 119 119 VAL HG21 H 1 0.647 0.020 . 1 . . . . . 119 VAL HG2 . 50516 1 1369 . 1 . 1 119 119 VAL HG22 H 1 0.647 0.020 . 1 . . . . . 119 VAL HG2 . 50516 1 1370 . 1 . 1 119 119 VAL HG23 H 1 0.647 0.020 . 1 . . . . . 119 VAL HG2 . 50516 1 1371 . 1 . 1 119 119 VAL C C 13 177.067 0.3 . 1 . . . . . 119 VAL C . 50516 1 1372 . 1 . 1 119 119 VAL CA C 13 66.729 0.3 . 1 . . . . . 119 VAL CA . 50516 1 1373 . 1 . 1 119 119 VAL CB C 13 31.309 0.3 . 1 . . . . . 119 VAL CB . 50516 1 1374 . 1 . 1 119 119 VAL CG1 C 13 22.924 0.3 . 1 . . . . . 119 VAL CG1 . 50516 1 1375 . 1 . 1 119 119 VAL CG2 C 13 21.237 0.3 . 1 . . . . . 119 VAL CG2 . 50516 1 1376 . 1 . 1 119 119 VAL N N 15 121.085 0.3 . 1 . . . . . 119 VAL N . 50516 1 1377 . 1 . 1 120 120 THR H H 1 7.416 0.020 . 1 . . . . . 120 THR H . 50516 1 1378 . 1 . 1 120 120 THR HA H 1 3.762 0.020 . 1 . . . . . 120 THR HA . 50516 1 1379 . 1 . 1 120 120 THR HB H 1 4.052 0.020 . 1 . . . . . 120 THR HB . 50516 1 1380 . 1 . 1 120 120 THR HG21 H 1 1.105 0.020 . 1 . . . . . 120 THR HG2 . 50516 1 1381 . 1 . 1 120 120 THR HG22 H 1 1.105 0.020 . 1 . . . . . 120 THR HG2 . 50516 1 1382 . 1 . 1 120 120 THR HG23 H 1 1.105 0.020 . 1 . . . . . 120 THR HG2 . 50516 1 1383 . 1 . 1 120 120 THR C C 13 177.448 0.3 . 1 . . . . . 120 THR C . 50516 1 1384 . 1 . 1 120 120 THR CA C 13 65.622 0.3 . 1 . . . . . 120 THR CA . 50516 1 1385 . 1 . 1 120 120 THR CB C 13 68.453 0.3 . 1 . . . . . 120 THR CB . 50516 1 1386 . 1 . 1 120 120 THR CG2 C 13 21.888 0.3 . 1 . . . . . 120 THR CG2 . 50516 1 1387 . 1 . 1 120 120 THR N N 15 113.202 0.3 . 1 . . . . . 120 THR N . 50516 1 1388 . 1 . 1 121 121 ALA H H 1 7.431 0.020 . 1 . . . . . 121 ALA H . 50516 1 1389 . 1 . 1 121 121 ALA HA H 1 3.651 0.020 . 1 . . . . . 121 ALA HA . 50516 1 1390 . 1 . 1 121 121 ALA HB1 H 1 1.206 0.020 . 1 . . . . . 121 ALA HB . 50516 1 1391 . 1 . 1 121 121 ALA HB2 H 1 1.206 0.020 . 1 . . . . . 121 ALA HB . 50516 1 1392 . 1 . 1 121 121 ALA HB3 H 1 1.206 0.020 . 1 . . . . . 121 ALA HB . 50516 1 1393 . 1 . 1 121 121 ALA C C 13 178.521 0.3 . 1 . . . . . 121 ALA C . 50516 1 1394 . 1 . 1 121 121 ALA CA C 13 54.519 0.3 . 1 . . . . . 121 ALA CA . 50516 1 1395 . 1 . 1 121 121 ALA CB C 13 17.807 0.3 . 1 . . . . . 121 ALA CB . 50516 1 1396 . 1 . 1 121 121 ALA N N 15 124.010 0.3 . 1 . . . . . 121 ALA N . 50516 1 1397 . 1 . 1 122 122 TYR H H 1 8.825 0.020 . 1 . . . . . 122 TYR H . 50516 1 1398 . 1 . 1 122 122 TYR HA H 1 4.539 0.020 . 1 . . . . . 122 TYR HA . 50516 1 1399 . 1 . 1 122 122 TYR HB2 H 1 2.925 0.020 . 2 . . . . . 122 TYR HB2 . 50516 1 1400 . 1 . 1 122 122 TYR HB3 H 1 2.936 0.020 . 2 . . . . . 122 TYR HB3 . 50516 1 1401 . 1 . 1 122 122 TYR C C 13 176.720 0.3 . 1 . . . . . 122 TYR C . 50516 1 1402 . 1 . 1 122 122 TYR CA C 13 62.695 0.3 . 1 . . . . . 122 TYR CA . 50516 1 1403 . 1 . 1 122 122 TYR CB C 13 39.129 0.3 . 1 . . . . . 122 TYR CB . 50516 1 1404 . 1 . 1 122 122 TYR N N 15 119.034 0.3 . 1 . . . . . 122 TYR N . 50516 1 1405 . 1 . 1 123 123 ASN H H 1 8.361 0.020 . 1 . . . . . 123 ASN H . 50516 1 1406 . 1 . 1 123 123 ASN HA H 1 4.267 0.020 . 1 . . . . . 123 ASN HA . 50516 1 1407 . 1 . 1 123 123 ASN HB2 H 1 2.648 0.020 . 2 . . . . . 123 ASN HB2 . 50516 1 1408 . 1 . 1 123 123 ASN HB3 H 1 2.725 0.020 . 2 . . . . . 123 ASN HB3 . 50516 1 1409 . 1 . 1 123 123 ASN C C 13 179.034 0.3 . 1 . . . . . 123 ASN C . 50516 1 1410 . 1 . 1 123 123 ASN CA C 13 55.385 0.3 . 1 . . . . . 123 ASN CA . 50516 1 1411 . 1 . 1 123 123 ASN CB C 13 37.019 0.3 . 1 . . . . . 123 ASN CB . 50516 1 1412 . 1 . 1 123 123 ASN N N 15 116.038 0.3 . 1 . . . . . 123 ASN N . 50516 1 1413 . 1 . 1 124 124 GLY H H 1 7.706 0.020 . 1 . . . . . 124 GLY H . 50516 1 1414 . 1 . 1 124 124 GLY HA2 H 1 3.697 0.020 . 2 . . . . . 124 GLY HA1 . 50516 1 1415 . 1 . 1 124 124 GLY HA3 H 1 3.617 0.020 . 2 . . . . . 124 GLY HA2 . 50516 1 1416 . 1 . 1 124 124 GLY C C 13 176.263 0.3 . 1 . . . . . 124 GLY C . 50516 1 1417 . 1 . 1 124 124 GLY CA C 13 46.687 0.3 . 1 . . . . . 124 GLY CA . 50516 1 1418 . 1 . 1 124 124 GLY N N 15 108.067 0.3 . 1 . . . . . 124 GLY N . 50516 1 1419 . 1 . 1 125 125 TYR H H 1 7.777 0.020 . 1 . . . . . 125 TYR H . 50516 1 1420 . 1 . 1 125 125 TYR HA H 1 4.599 0.020 . 1 . . . . . 125 TYR HA . 50516 1 1421 . 1 . 1 125 125 TYR HB2 H 1 3.063 0.020 . 2 . . . . . 125 TYR HB2 . 50516 1 1422 . 1 . 1 125 125 TYR HB3 H 1 2.654 0.020 . 2 . . . . . 125 TYR HB3 . 50516 1 1423 . 1 . 1 125 125 TYR C C 13 178.721 0.3 . 1 . . . . . 125 TYR C . 50516 1 1424 . 1 . 1 125 125 TYR CA C 13 57.770 0.3 . 1 . . . . . 125 TYR CA . 50516 1 1425 . 1 . 1 125 125 TYR CB C 13 37.456 0.3 . 1 . . . . . 125 TYR CB . 50516 1 1426 . 1 . 1 125 125 TYR N N 15 121.693 0.3 . 1 . . . . . 125 TYR N . 50516 1 1427 . 1 . 1 126 126 LEU H H 1 7.958 0.020 . 1 . . . . . 126 LEU H . 50516 1 1428 . 1 . 1 126 126 LEU HA H 1 3.777 0.020 . 1 . . . . . 126 LEU HA . 50516 1 1429 . 1 . 1 126 126 LEU HB2 H 1 1.444 0.020 . 2 . . . . . 126 LEU HB2 . 50516 1 1430 . 1 . 1 126 126 LEU HB3 H 1 1.473 0.020 . 2 . . . . . 126 LEU HB3 . 50516 1 1431 . 1 . 1 126 126 LEU HG H 1 1.352 0.020 . 1 . . . . . 126 LEU HG . 50516 1 1432 . 1 . 1 126 126 LEU HD11 H 1 0.709 0.020 . 2 . . . . . 126 LEU HD1 . 50516 1 1433 . 1 . 1 126 126 LEU HD12 H 1 0.709 0.020 . 2 . . . . . 126 LEU HD1 . 50516 1 1434 . 1 . 1 126 126 LEU HD13 H 1 0.709 0.020 . 2 . . . . . 126 LEU HD1 . 50516 1 1435 . 1 . 1 126 126 LEU HD21 H 1 0.604 0.020 . 2 . . . . . 126 LEU HD2 . 50516 1 1436 . 1 . 1 126 126 LEU HD22 H 1 0.604 0.020 . 2 . . . . . 126 LEU HD2 . 50516 1 1437 . 1 . 1 126 126 LEU HD23 H 1 0.604 0.020 . 2 . . . . . 126 LEU HD2 . 50516 1 1438 . 1 . 1 126 126 LEU C C 13 178.644 0.3 . 1 . . . . . 126 LEU C . 50516 1 1439 . 1 . 1 126 126 LEU CA C 13 57.112 0.3 . 1 . . . . . 126 LEU CA . 50516 1 1440 . 1 . 1 126 126 LEU CB C 13 42.633 0.3 . 1 . . . . . 126 LEU CB . 50516 1 1441 . 1 . 1 126 126 LEU CG C 13 26.116 0.3 . 1 . . . . . 126 LEU CG . 50516 1 1442 . 1 . 1 126 126 LEU CD1 C 13 24.898 0.3 . 1 . . . . . 126 LEU CD1 . 50516 1 1443 . 1 . 1 126 126 LEU CD2 C 13 23.471 0.3 . 1 . . . . . 126 LEU CD2 . 50516 1 1444 . 1 . 1 126 126 LEU N N 15 118.763 0.3 . 1 . . . . . 126 LEU N . 50516 1 1445 . 1 . 1 127 127 THR H H 1 7.466 0.020 . 1 . . . . . 127 THR H . 50516 1 1446 . 1 . 1 127 127 THR HA H 1 4.245 0.020 . 1 . . . . . 127 THR HA . 50516 1 1447 . 1 . 1 127 127 THR HB H 1 4.279 0.020 . 1 . . . . . 127 THR HB . 50516 1 1448 . 1 . 1 127 127 THR HG21 H 1 1.132 0.020 . 1 . . . . . 127 THR HG2 . 50516 1 1449 . 1 . 1 127 127 THR HG22 H 1 1.132 0.020 . 1 . . . . . 127 THR HG2 . 50516 1 1450 . 1 . 1 127 127 THR HG23 H 1 1.132 0.020 . 1 . . . . . 127 THR HG2 . 50516 1 1451 . 1 . 1 127 127 THR C C 13 174.908 0.3 . 1 . . . . . 127 THR C . 50516 1 1452 . 1 . 1 127 127 THR CA C 13 62.219 0.3 . 1 . . . . . 127 THR CA . 50516 1 1453 . 1 . 1 127 127 THR CB C 13 69.785 0.3 . 1 . . . . . 127 THR CB . 50516 1 1454 . 1 . 1 127 127 THR CG2 C 13 21.619 0.3 . 1 . . . . . 127 THR CG2 . 50516 1 1455 . 1 . 1 127 127 THR N N 15 108.259 0.3 . 1 . . . . . 127 THR N . 50516 1 1456 . 1 . 1 128 128 SER H H 1 7.735 0.020 . 1 . . . . . 128 SER H . 50516 1 1457 . 1 . 1 128 128 SER HA H 1 4.430 0.020 . 1 . . . . . 128 SER HA . 50516 1 1458 . 1 . 1 128 128 SER HB2 H 1 3.874 0.020 . 1 . . . . . 128 SER HB2 . 50516 1 1459 . 1 . 1 128 128 SER HB3 H 1 3.874 0.020 . 1 . . . . . 128 SER HB3 . 50516 1 1460 . 1 . 1 128 128 SER C C 13 173.791 0.3 . 1 . . . . . 128 SER C . 50516 1 1461 . 1 . 1 128 128 SER CA C 13 58.840 0.3 . 1 . . . . . 128 SER CA . 50516 1 1462 . 1 . 1 128 128 SER CB C 13 64.170 0.3 . 1 . . . . . 128 SER CB . 50516 1 1463 . 1 . 1 128 128 SER N N 15 117.667 0.3 . 1 . . . . . 128 SER N . 50516 1 1464 . 1 . 1 129 129 SER H H 1 8.076 0.020 . 1 . . . . . 129 SER H . 50516 1 1465 . 1 . 1 129 129 SER HA H 1 4.180 0.020 . 1 . . . . . 129 SER HA . 50516 1 1466 . 1 . 1 129 129 SER HB2 H 1 3.765 0.020 . 1 . . . . . 129 SER HB2 . 50516 1 1467 . 1 . 1 129 129 SER HB3 H 1 3.765 0.020 . 1 . . . . . 129 SER HB3 . 50516 1 1468 . 1 . 1 129 129 SER C C 13 178.852 0.3 . 1 . . . . . 129 SER C . 50516 1 1469 . 1 . 1 129 129 SER CA C 13 60.554 0.3 . 1 . . . . . 129 SER CA . 50516 1 1470 . 1 . 1 129 129 SER CB C 13 64.473 0.3 . 1 . . . . . 129 SER CB . 50516 1 1471 . 1 . 1 129 129 SER N N 15 123.181 0.3 . 1 . . . . . 129 SER N . 50516 1 stop_ save_