data_51473 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51473 _Entry.Title ; IL1R8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-05-24 _Entry.Accession_date 2022-05-24 _Entry.Last_release_date 2022-05-24 _Entry.Original_release_date 2022-05-24 _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 1 _Entry.Generated_software_label $software_1 _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 Eunjeong Lee . . . . 51473 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51473 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 369 51473 '15N chemical shifts' 125 51473 '1H chemical shifts' 125 51473 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-08-08 . original BMRB . 51473 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51474 'tirE Coiled Coil' 51473 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51473 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35889366 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Human and Bacterial Toll-Interleukin Receptor Domains Exhibit Distinct Dynamic Features and Functions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Molecules _Citation.Journal_name_full 'Molecules (Basel, Switzerland)' _Citation.Journal_volume 27 _Citation.Journal_issue 14 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1420-3049 _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 4494 _Citation.Page_last 4494 _Citation.Year 2022 _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 Eunjeong Lee E. . . . 51473 1 2 Jasmina Redzic J. S. . . 51473 1 3 Travis Nemkov T. . . . 51473 1 4 Anthony Saviola A. J. . . 51473 1 5 Monika Dzieciatkowska M. . . . 51473 1 6 Kirk Hansen K. C. . . 51473 1 7 Angelo D'Alessandro A. . . . 51473 1 8 Charles Dinarello C. . . . 51473 1 9 Elan Eisenmesser E. Z. . . 51473 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51473 _Assembly.ID 1 _Assembly.Name IL1R8 _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 IL1R8 1 $entity_1 . . yes native no no . . . 51473 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51473 _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 ; DGKLYDAYVSYSDCPEDRKF VNFILKPQLERRRGYKLFLD DRDLLPRAEPSADLLVNLSR CRRLIVVLSDAFLSRAWCSH SFREGLCRLLELTRRPIFIT FEGQRRDPAHPALRLLRQHR HLVTLLLWRPGSVTPSSDFW KEVQLALPRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _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 . ASP . 51473 1 2 . GLY . 51473 1 3 . LYS . 51473 1 4 . LEU . 51473 1 5 . TYR . 51473 1 6 . ASP . 51473 1 7 . ALA . 51473 1 8 . TYR . 51473 1 9 . VAL . 51473 1 10 . SER . 51473 1 11 . TYR . 51473 1 12 . SER . 51473 1 13 . ASP . 51473 1 14 . CYS . 51473 1 15 . PRO . 51473 1 16 . GLU . 51473 1 17 . ASP . 51473 1 18 . ARG . 51473 1 19 . LYS . 51473 1 20 . PHE . 51473 1 21 . VAL . 51473 1 22 . ASN . 51473 1 23 . PHE . 51473 1 24 . ILE . 51473 1 25 . LEU . 51473 1 26 . LYS . 51473 1 27 . PRO . 51473 1 28 . GLN . 51473 1 29 . LEU . 51473 1 30 . GLU . 51473 1 31 . ARG . 51473 1 32 . ARG . 51473 1 33 . ARG . 51473 1 34 . GLY . 51473 1 35 . TYR . 51473 1 36 . LYS . 51473 1 37 . LEU . 51473 1 38 . PHE . 51473 1 39 . LEU . 51473 1 40 . ASP . 51473 1 41 . ASP . 51473 1 42 . ARG . 51473 1 43 . ASP . 51473 1 44 . LEU . 51473 1 45 . LEU . 51473 1 46 . PRO . 51473 1 47 . ARG . 51473 1 48 . ALA . 51473 1 49 . GLU . 51473 1 50 . PRO . 51473 1 51 . SER . 51473 1 52 . ALA . 51473 1 53 . ASP . 51473 1 54 . LEU . 51473 1 55 . LEU . 51473 1 56 . VAL . 51473 1 57 . ASN . 51473 1 58 . LEU . 51473 1 59 . SER . 51473 1 60 . ARG . 51473 1 61 . CYS . 51473 1 62 . ARG . 51473 1 63 . ARG . 51473 1 64 . LEU . 51473 1 65 . ILE . 51473 1 66 . VAL . 51473 1 67 . VAL . 51473 1 68 . LEU . 51473 1 69 . SER . 51473 1 70 . ASP . 51473 1 71 . ALA . 51473 1 72 . PHE . 51473 1 73 . LEU . 51473 1 74 . SER . 51473 1 75 . ARG . 51473 1 76 . ALA . 51473 1 77 . TRP . 51473 1 78 . CYS . 51473 1 79 . SER . 51473 1 80 . HIS . 51473 1 81 . SER . 51473 1 82 . PHE . 51473 1 83 . ARG . 51473 1 84 . GLU . 51473 1 85 . GLY . 51473 1 86 . LEU . 51473 1 87 . CYS . 51473 1 88 . ARG . 51473 1 89 . LEU . 51473 1 90 . LEU . 51473 1 91 . GLU . 51473 1 92 . LEU . 51473 1 93 . THR . 51473 1 94 . ARG . 51473 1 95 . ARG . 51473 1 96 . PRO . 51473 1 97 . ILE . 51473 1 98 . PHE . 51473 1 99 . ILE . 51473 1 100 . THR . 51473 1 101 . PHE . 51473 1 102 . GLU . 51473 1 103 . GLY . 51473 1 104 . GLN . 51473 1 105 . ARG . 51473 1 106 . ARG . 51473 1 107 . ASP . 51473 1 108 . PRO . 51473 1 109 . ALA . 51473 1 110 . HIS . 51473 1 111 . PRO . 51473 1 112 . ALA . 51473 1 113 . LEU . 51473 1 114 . ARG . 51473 1 115 . LEU . 51473 1 116 . LEU . 51473 1 117 . ARG . 51473 1 118 . GLN . 51473 1 119 . HIS . 51473 1 120 . ARG . 51473 1 121 . HIS . 51473 1 122 . LEU . 51473 1 123 . VAL . 51473 1 124 . THR . 51473 1 125 . LEU . 51473 1 126 . LEU . 51473 1 127 . LEU . 51473 1 128 . TRP . 51473 1 129 . ARG . 51473 1 130 . PRO . 51473 1 131 . GLY . 51473 1 132 . SER . 51473 1 133 . VAL . 51473 1 134 . THR . 51473 1 135 . PRO . 51473 1 136 . SER . 51473 1 137 . SER . 51473 1 138 . ASP . 51473 1 139 . PHE . 51473 1 140 . TRP . 51473 1 141 . LYS . 51473 1 142 . GLU . 51473 1 143 . VAL . 51473 1 144 . GLN . 51473 1 145 . LEU . 51473 1 146 . ALA . 51473 1 147 . LEU . 51473 1 148 . PRO . 51473 1 149 . ARG . 51473 1 150 . LYS . 51473 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASP 1 1 51473 1 . GLY 2 2 51473 1 . LYS 3 3 51473 1 . LEU 4 4 51473 1 . TYR 5 5 51473 1 . ASP 6 6 51473 1 . ALA 7 7 51473 1 . TYR 8 8 51473 1 . VAL 9 9 51473 1 . SER 10 10 51473 1 . TYR 11 11 51473 1 . SER 12 12 51473 1 . ASP 13 13 51473 1 . CYS 14 14 51473 1 . PRO 15 15 51473 1 . GLU 16 16 51473 1 . ASP 17 17 51473 1 . ARG 18 18 51473 1 . LYS 19 19 51473 1 . PHE 20 20 51473 1 . VAL 21 21 51473 1 . ASN 22 22 51473 1 . PHE 23 23 51473 1 . ILE 24 24 51473 1 . LEU 25 25 51473 1 . LYS 26 26 51473 1 . PRO 27 27 51473 1 . GLN 28 28 51473 1 . LEU 29 29 51473 1 . GLU 30 30 51473 1 . ARG 31 31 51473 1 . ARG 32 32 51473 1 . ARG 33 33 51473 1 . GLY 34 34 51473 1 . TYR 35 35 51473 1 . LYS 36 36 51473 1 . LEU 37 37 51473 1 . PHE 38 38 51473 1 . LEU 39 39 51473 1 . ASP 40 40 51473 1 . ASP 41 41 51473 1 . ARG 42 42 51473 1 . ASP 43 43 51473 1 . LEU 44 44 51473 1 . LEU 45 45 51473 1 . PRO 46 46 51473 1 . ARG 47 47 51473 1 . ALA 48 48 51473 1 . GLU 49 49 51473 1 . PRO 50 50 51473 1 . SER 51 51 51473 1 . ALA 52 52 51473 1 . ASP 53 53 51473 1 . LEU 54 54 51473 1 . LEU 55 55 51473 1 . VAL 56 56 51473 1 . ASN 57 57 51473 1 . LEU 58 58 51473 1 . SER 59 59 51473 1 . ARG 60 60 51473 1 . CYS 61 61 51473 1 . ARG 62 62 51473 1 . ARG 63 63 51473 1 . LEU 64 64 51473 1 . ILE 65 65 51473 1 . VAL 66 66 51473 1 . VAL 67 67 51473 1 . LEU 68 68 51473 1 . SER 69 69 51473 1 . ASP 70 70 51473 1 . ALA 71 71 51473 1 . PHE 72 72 51473 1 . LEU 73 73 51473 1 . SER 74 74 51473 1 . ARG 75 75 51473 1 . ALA 76 76 51473 1 . TRP 77 77 51473 1 . CYS 78 78 51473 1 . SER 79 79 51473 1 . HIS 80 80 51473 1 . SER 81 81 51473 1 . PHE 82 82 51473 1 . ARG 83 83 51473 1 . GLU 84 84 51473 1 . GLY 85 85 51473 1 . LEU 86 86 51473 1 . CYS 87 87 51473 1 . ARG 88 88 51473 1 . LEU 89 89 51473 1 . LEU 90 90 51473 1 . GLU 91 91 51473 1 . LEU 92 92 51473 1 . THR 93 93 51473 1 . ARG 94 94 51473 1 . ARG 95 95 51473 1 . PRO 96 96 51473 1 . ILE 97 97 51473 1 . PHE 98 98 51473 1 . ILE 99 99 51473 1 . THR 100 100 51473 1 . PHE 101 101 51473 1 . GLU 102 102 51473 1 . GLY 103 103 51473 1 . GLN 104 104 51473 1 . ARG 105 105 51473 1 . ARG 106 106 51473 1 . ASP 107 107 51473 1 . PRO 108 108 51473 1 . ALA 109 109 51473 1 . HIS 110 110 51473 1 . PRO 111 111 51473 1 . ALA 112 112 51473 1 . LEU 113 113 51473 1 . ARG 114 114 51473 1 . LEU 115 115 51473 1 . LEU 116 116 51473 1 . ARG 117 117 51473 1 . GLN 118 118 51473 1 . HIS 119 119 51473 1 . ARG 120 120 51473 1 . HIS 121 121 51473 1 . LEU 122 122 51473 1 . VAL 123 123 51473 1 . THR 124 124 51473 1 . LEU 125 125 51473 1 . LEU 126 126 51473 1 . LEU 127 127 51473 1 . TRP 128 128 51473 1 . ARG 129 129 51473 1 . PRO 130 130 51473 1 . GLY 131 131 51473 1 . SER 132 132 51473 1 . VAL 133 133 51473 1 . THR 134 134 51473 1 . PRO 135 135 51473 1 . SER 136 136 51473 1 . SER 137 137 51473 1 . ASP 138 138 51473 1 . PHE 139 139 51473 1 . TRP 140 140 51473 1 . LYS 141 141 51473 1 . GLU 142 142 51473 1 . VAL 143 143 51473 1 . GLN 144 144 51473 1 . LEU 145 145 51473 1 . ALA 146 146 51473 1 . LEU 147 147 51473 1 . PRO 148 148 51473 1 . ARG 149 149 51473 1 . LYS 150 150 51473 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 51473 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51473 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 51473 _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 . . pet27 . . . 51473 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51473 _Sample.ID 1 _Sample.Name IL1R8 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'labeling source: 15N ammonium chloride, and 13C glucose' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '92% H2O/8% 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 IL1R8 '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51473 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51473 1 3 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 51473 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51473 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 51473 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'physiological condition' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 51473 1 pH 7.5 . pH 51473 1 pressure 1 . atm 51473 1 temperature 303 . K 51473 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51473 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51473 1 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 51473 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance Neo 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51473 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51473 1 2 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51473 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51473 1 4 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51473 1 5 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51473 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 51473 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name tir8_reference _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 TMS 'methyl carbons' . . . . ppm 0 external direct 1 . . . . . 51473 1 H 1 TMS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51473 1 N 15 nitromethane nitrogen . . . . ppm 63 external direct 1 . . . . . 51473 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 51473 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Tir8 _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 2 '3D HNCA' . . . 51473 1 3 '3D HNCACB' . . . 51473 1 4 '3D HN(CO)CA' . . . 51473 1 5 '3D HN(CO)CACB' . . . 51473 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 . . 51473 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ASP H H 1 8.4851 . . . . . . . . 1 D HN . 51473 1 2 . 1 . 1 1 1 ASP C C 13 176.8588 . . . . . . . . 1 D CO . 51473 1 3 . 1 . 1 1 1 ASP CA C 13 54.2271 . . . . . . . . 1 D CA . 51473 1 4 . 1 . 1 1 1 ASP CB C 13 40.5240 . . . . . . . . 1 D CB . 51473 1 5 . 1 . 1 1 1 ASP N N 15 121.7582 . . . . . . . . 1 D N . 51473 1 6 . 1 . 1 2 2 GLY H H 1 8.3479 . . . . . . . . 2 G HN . 51473 1 7 . 1 . 1 2 2 GLY C C 13 174.3405 . . . . . . . . 2 G CO . 51473 1 8 . 1 . 1 2 2 GLY CA C 13 45.0827 . . . . . . . . 2 G CA . 51473 1 9 . 1 . 1 2 2 GLY N N 15 108.2830 . . . . . . . . 2 G N . 51473 1 10 . 1 . 1 3 3 LYS H H 1 8.0558 . . . . . . . . 3 K HN . 51473 1 11 . 1 . 1 3 3 LYS C C 13 175.6517 . . . . . . . . 3 K CO . 51473 1 12 . 1 . 1 3 3 LYS CA C 13 55.4244 . . . . . . . . 3 K CA . 51473 1 13 . 1 . 1 3 3 LYS CB C 13 31.5211 . . . . . . . . 3 K CB . 51473 1 14 . 1 . 1 3 3 LYS N N 15 119.4737 . . . . . . . . 3 K N . 51473 1 15 . 1 . 1 4 4 LEU H H 1 8.0645 . . . . . . . . 4 L HN . 51473 1 16 . 1 . 1 4 4 LEU C C 13 176.5809 . . . . . . . . 4 L CO . 51473 1 17 . 1 . 1 4 4 LEU CA C 13 55.5647 . . . . . . . . 4 L CA . 51473 1 18 . 1 . 1 4 4 LEU CB C 13 43.5975 . . . . . . . . 4 L CB . 51473 1 19 . 1 . 1 4 4 LEU N N 15 122.1454 . . . . . . . . 4 L N . 51473 1 20 . 1 . 1 5 5 TYR H H 1 8.1762 . . . . . . . . 5 Y HN . 51473 1 21 . 1 . 1 5 5 TYR C C 13 176.0796 . . . . . . . . 5 Y CO . 51473 1 22 . 1 . 1 5 5 TYR CA C 13 56.4114 . . . . . . . . 5 Y CA . 51473 1 23 . 1 . 1 5 5 TYR CB C 13 40.0504 . . . . . . . . 5 Y CB . 51473 1 24 . 1 . 1 5 5 TYR N N 15 114.4707 . . . . . . . . 5 Y N . 51473 1 25 . 1 . 1 6 6 ASP H H 1 9.5283 . . . . . . . . 6 D HN . 51473 1 26 . 1 . 1 6 6 ASP C C 13 175.8011 . . . . . . . . 6 D CO . 51473 1 27 . 1 . 1 6 6 ASP CA C 13 58.2117 . . . . . . . . 6 D CA . 51473 1 28 . 1 . 1 6 6 ASP CB C 13 42.5009 . . . . . . . . 6 D CB . 51473 1 29 . 1 . 1 6 6 ASP N N 15 122.0755 . . . . . . . . 6 D N . 51473 1 30 . 1 . 1 7 7 ALA H H 1 7.5771 . . . . . . . . 7 A HN . 51473 1 31 . 1 . 1 7 7 ALA C C 13 173.6835 . . . . . . . . 7 A CO . 51473 1 32 . 1 . 1 7 7 ALA CA C 13 51.0933 . . . . . . . . 7 A CA . 51473 1 33 . 1 . 1 7 7 ALA CB C 13 20.5342 . . . . . . . . 7 A CB . 51473 1 34 . 1 . 1 7 7 ALA N N 15 112.6134 . . . . . . . . 7 A N . 51473 1 35 . 1 . 1 8 8 TYR H H 1 8.8429 . . . . . . . . 8 Y HN . 51473 1 36 . 1 . 1 8 8 TYR C C 13 174.4215 . . . . . . . . 8 Y CO . 51473 1 37 . 1 . 1 8 8 TYR CA C 13 55.9777 . . . . . . . . 8 Y CA . 51473 1 38 . 1 . 1 8 8 TYR CB C 13 38.4703 . . . . . . . . 8 Y CB . 51473 1 39 . 1 . 1 8 8 TYR N N 15 126.4304 . . . . . . . . 8 Y N . 51473 1 40 . 1 . 1 9 9 VAL H H 1 9.5605 . . . . . . . . 9 V HN . 51473 1 41 . 1 . 1 9 9 VAL C C 13 173.1380 . . . . . . . . 9 V CO . 51473 1 42 . 1 . 1 9 9 VAL CA C 13 61.0805 . . . . . . . . 9 V CA . 51473 1 43 . 1 . 1 9 9 VAL CB C 13 31.4108 . . . . . . . . 9 V CB . 51473 1 44 . 1 . 1 9 9 VAL N N 15 128.7107 . . . . . . . . 9 V N . 51473 1 45 . 1 . 1 10 10 SER H H 1 9.3212 . . . . . . . . 10 S HN . 51473 1 46 . 1 . 1 10 10 SER C C 13 173.4239 . . . . . . . . 10 S CO . 51473 1 47 . 1 . 1 10 10 SER CA C 13 57.0008 . . . . . . . . 10 S CA . 51473 1 48 . 1 . 1 10 10 SER CB C 13 64.7335 . . . . . . . . 10 S CB . 51473 1 49 . 1 . 1 10 10 SER N N 15 122.3773 . . . . . . . . 10 S N . 51473 1 50 . 1 . 1 11 11 TYR H H 1 8.1331 . . . . . . . . 11 Y HN . 51473 1 51 . 1 . 1 11 11 TYR C C 13 172.7041 . . . . . . . . 11 Y CO . 51473 1 52 . 1 . 1 11 11 TYR CA C 13 55.3485 . . . . . . . . 11 Y CA . 51473 1 53 . 1 . 1 11 11 TYR CB C 13 39.6677 . . . . . . . . 11 Y CB . 51473 1 54 . 1 . 1 11 11 TYR N N 15 123.7901 . . . . . . . . 11 Y N . 51473 1 55 . 1 . 1 12 12 SER H H 1 9.4932 . . . . . . . . 12 S HN . 51473 1 56 . 1 . 1 12 12 SER C C 13 172.4467 . . . . . . . . 12 S CO . 51473 1 57 . 1 . 1 12 12 SER CA C 13 57.9638 . . . . . . . . 12 S CA . 51473 1 58 . 1 . 1 12 12 SER CB C 13 64.4726 . . . . . . . . 12 S CB . 51473 1 59 . 1 . 1 12 12 SER N N 15 116.2679 . . . . . . . . 12 S N . 51473 1 60 . 1 . 1 13 13 ASP H H 1 8.1151 . . . . . . . . 13 D HN . 51473 1 61 . 1 . 1 13 13 ASP C C 13 175.6801 . . . . . . . . 13 D CO . 51473 1 62 . 1 . 1 13 13 ASP CA C 13 53.6004 . . . . . . . . 13 D CA . 51473 1 63 . 1 . 1 13 13 ASP CB C 13 39.3925 . . . . . . . . 13 D CB . 51473 1 64 . 1 . 1 13 13 ASP N N 15 117.7575 . . . . . . . . 13 D N . 51473 1 65 . 1 . 1 14 14 CYS H H 1 8.2677 . . . . . . . . 14 C HN . 51473 1 66 . 1 . 1 14 14 CYS C C 13 173.5769 . . . . . . . . 14 C CO . 51473 1 67 . 1 . 1 14 14 CYS CA C 13 55.8931 . . . . . . . . 14 C CA . 51473 1 68 . 1 . 1 14 14 CYS CB C 13 27.5347 . . . . . . . . 14 C CB . 51473 1 69 . 1 . 1 14 14 CYS N N 15 121.4619 . . . . . . . . 14 C N . 51473 1 70 . 1 . 1 15 15 PRO C C 13 179.3531 . . . . . . . . 15 P CO . 51473 1 71 . 1 . 1 15 15 PRO CA C 13 66.1138 . . . . . . . . 15 P CA . 51473 1 72 . 1 . 1 16 16 GLU H H 1 9.1164 . . . . . . . . 16 E HN . 51473 1 73 . 1 . 1 16 16 GLU C C 13 179.0125 . . . . . . . . 16 E CO . 51473 1 74 . 1 . 1 16 16 GLU CA C 13 60.1369 . . . . . . . . 16 E CA . 51473 1 75 . 1 . 1 16 16 GLU CB C 13 28.2889 . . . . . . . . 16 E CB . 51473 1 76 . 1 . 1 16 16 GLU N N 15 117.4608 . . . . . . . . 16 E N . 51473 1 77 . 1 . 1 17 17 ASP H H 1 7.6769 . . . . . . . . 17 D HN . 51473 1 78 . 1 . 1 17 17 ASP C C 13 178.1849 . . . . . . . . 17 D CO . 51473 1 79 . 1 . 1 17 17 ASP CA C 13 57.3614 . . . . . . . . 17 D CA . 51473 1 80 . 1 . 1 17 17 ASP CB C 13 38.9895 . . . . . . . . 17 D CB . 51473 1 81 . 1 . 1 17 17 ASP N N 15 123.1484 . . . . . . . . 17 D N . 51473 1 82 . 1 . 1 18 18 ARG H H 1 8.5307 . . . . . . . . 18 R HN . 51473 1 83 . 1 . 1 18 18 ARG C C 13 178.8314 . . . . . . . . 18 R CO . 51473 1 84 . 1 . 1 18 18 ARG CA C 13 60.3007 . . . . . . . . 18 R CA . 51473 1 85 . 1 . 1 18 18 ARG CB C 13 29.4376 . . . . . . . . 18 R CB . 51473 1 86 . 1 . 1 18 18 ARG N N 15 119.9607 . . . . . . . . 18 R N . 51473 1 87 . 1 . 1 19 19 LYS H H 1 8.0626 . . . . . . . . 19 K HN . 51473 1 88 . 1 . 1 19 19 LYS C C 13 178.2832 . . . . . . . . 19 K CO . 51473 1 89 . 1 . 1 19 19 LYS CA C 13 59.8326 . . . . . . . . 19 K CA . 51473 1 90 . 1 . 1 19 19 LYS CB C 13 31.4409 . . . . . . . . 19 K CB . 51473 1 91 . 1 . 1 19 19 LYS N N 15 119.2178 . . . . . . . . 19 K N . 51473 1 92 . 1 . 1 20 20 PHE H H 1 7.8457 . . . . . . . . 20 F HN . 51473 1 93 . 1 . 1 20 20 PHE C C 13 178.0123 . . . . . . . . 20 F CO . 51473 1 94 . 1 . 1 20 20 PHE CA C 13 61.5482 . . . . . . . . 20 F CA . 51473 1 95 . 1 . 1 20 20 PHE CB C 13 38.5530 . . . . . . . . 20 F CB . 51473 1 96 . 1 . 1 20 20 PHE N N 15 119.8320 . . . . . . . . 20 F N . 51473 1 97 . 1 . 1 21 21 VAL H H 1 8.5119 . . . . . . . . 21 V HN . 51473 1 98 . 1 . 1 21 21 VAL C C 13 176.3414 . . . . . . . . 21 V CO . 51473 1 99 . 1 . 1 21 21 VAL CA C 13 66.6403 . . . . . . . . 21 V CA . 51473 1 100 . 1 . 1 21 21 VAL CB C 13 30.7030 . . . . . . . . 21 V CB . 51473 1 101 . 1 . 1 21 21 VAL N N 15 117.7991 . . . . . . . . 21 V N . 51473 1 102 . 1 . 1 22 22 ASN H H 1 8.3393 . . . . . . . . 22 N HN . 51473 1 103 . 1 . 1 22 22 ASN C C 13 176.2854 . . . . . . . . 22 N CO . 51473 1 104 . 1 . 1 22 22 ASN CA C 13 56.5047 . . . . . . . . 22 N CA . 51473 1 105 . 1 . 1 22 22 ASN CB C 13 38.2552 . . . . . . . . 22 N CB . 51473 1 106 . 1 . 1 22 22 ASN N N 15 114.0853 . . . . . . . . 22 N N . 51473 1 107 . 1 . 1 23 23 PHE H H 1 8.5894 . . . . . . . . 23 F HN . 51473 1 108 . 1 . 1 23 23 PHE C C 13 175.7952 . . . . . . . . 23 F CO . 51473 1 109 . 1 . 1 23 23 PHE CA C 13 58.1866 . . . . . . . . 23 F CA . 51473 1 110 . 1 . 1 23 23 PHE CB C 13 38.3972 . . . . . . . . 23 F CB . 51473 1 111 . 1 . 1 23 23 PHE N N 15 113.5726 . . . . . . . . 23 F N . 51473 1 112 . 1 . 1 24 24 ILE H H 1 7.1552 . . . . . . . . 24 I HN . 51473 1 113 . 1 . 1 24 24 ILE C C 13 175.9760 . . . . . . . . 24 I CO . 51473 1 114 . 1 . 1 24 24 ILE CA C 13 63.0369 . . . . . . . . 24 I CA . 51473 1 115 . 1 . 1 24 24 ILE CB C 13 36.5153 . . . . . . . . 24 I CB . 51473 1 116 . 1 . 1 24 24 ILE N N 15 118.0311 . . . . . . . . 24 I N . 51473 1 117 . 1 . 1 25 25 LEU H H 1 7.8895 . . . . . . . . 25 L HN . 51473 1 118 . 1 . 1 25 25 LEU C C 13 177.7225 . . . . . . . . 25 L CO . 51473 1 119 . 1 . 1 25 25 LEU CA C 13 59.3918 . . . . . . . . 25 L CA . 51473 1 120 . 1 . 1 25 25 LEU CB C 13 41.4101 . . . . . . . . 25 L CB . 51473 1 121 . 1 . 1 25 25 LEU N N 15 118.4299 . . . . . . . . 25 L N . 51473 1 122 . 1 . 1 26 26 LYS H H 1 8.6212 . . . . . . . . 26 K HN . 51473 1 123 . 1 . 1 26 26 LYS C C 13 175.1237 . . . . . . . . 26 K CO . 51473 1 124 . 1 . 1 26 26 LYS CA C 13 61.6042 . . . . . . . . 26 K CA . 51473 1 125 . 1 . 1 26 26 LYS CB C 13 29.5552 . . . . . . . . 26 K CB . 51473 1 126 . 1 . 1 26 26 LYS N N 15 116.0888 . . . . . . . . 26 K N . 51473 1 127 . 1 . 1 27 27 PRO C C 13 179.1154 . . . . . . . . 27 P CO . 51473 1 128 . 1 . 1 27 27 PRO CA C 13 65.8543 . . . . . . . . 27 P CA . 51473 1 129 . 1 . 1 27 27 PRO CB C 13 30.0098 . . . . . . . . 27 P CB . 51473 1 130 . 1 . 1 28 28 GLN H H 1 7.2464 . . . . . . . . 28 Q HN . 51473 1 131 . 1 . 1 28 28 GLN C C 13 178.3642 . . . . . . . . 28 Q CO . 51473 1 132 . 1 . 1 28 28 GLN CA C 13 58.1418 . . . . . . . . 28 Q CA . 51473 1 133 . 1 . 1 28 28 GLN N N 15 112.3542 . . . . . . . . 28 Q N . 51473 1 134 . 1 . 1 29 29 LEU H H 1 8.4068 . . . . . . . . 29 L HN . 51473 1 135 . 1 . 1 29 29 LEU C C 13 177.2823 . . . . . . . . 29 L CO . 51473 1 136 . 1 . 1 29 29 LEU CA C 13 57.2631 . . . . . . . . 29 L CA . 51473 1 137 . 1 . 1 29 29 LEU CB C 13 41.0222 . . . . . . . . 29 L CB . 51473 1 138 . 1 . 1 29 29 LEU N N 15 115.9761 . . . . . . . . 29 L N . 51473 1 139 . 1 . 1 30 30 GLU H H 1 8.7308 . . . . . . . . 30 E HN . 51473 1 140 . 1 . 1 30 30 GLU C C 13 178.5554 . . . . . . . . 30 E CO . 51473 1 141 . 1 . 1 30 30 GLU CA C 13 58.6035 . . . . . . . . 30 E CA . 51473 1 142 . 1 . 1 30 30 GLU CB C 13 29.8305 . . . . . . . . 30 E CB . 51473 1 143 . 1 . 1 30 30 GLU N N 15 118.0294 . . . . . . . . 30 E N . 51473 1 144 . 1 . 1 31 31 ARG H H 1 7.5115 . . . . . . . . 31 R HN . 51473 1 145 . 1 . 1 31 31 ARG C C 13 178.4952 . . . . . . . . 31 R CO . 51473 1 146 . 1 . 1 31 31 ARG CA C 13 59.0344 . . . . . . . . 31 R CA . 51473 1 147 . 1 . 1 31 31 ARG CB C 13 28.6334 . . . . . . . . 31 R CB . 51473 1 148 . 1 . 1 31 31 ARG N N 15 117.8010 . . . . . . . . 31 R N . 51473 1 149 . 1 . 1 32 32 ARG H H 1 7.8273 . . . . . . . . 32 R HN . 51473 1 150 . 1 . 1 32 32 ARG C C 13 178.1628 . . . . . . . . 32 R CO . 51473 1 151 . 1 . 1 32 32 ARG CA C 13 58.0458 . . . . . . . . 32 R CA . 51473 1 152 . 1 . 1 32 32 ARG CB C 13 28.9747 . . . . . . . . 32 R CB . 51473 1 153 . 1 . 1 32 32 ARG N N 15 114.1297 . . . . . . . . 32 R N . 51473 1 154 . 1 . 1 33 33 ARG H H 1 6.4167 . . . . . . . . 33 R HN . 51473 1 155 . 1 . 1 33 33 ARG C C 13 176.2076 . . . . . . . . 33 R CO . 51473 1 156 . 1 . 1 33 33 ARG CA C 13 55.8364 . . . . . . . . 33 R CA . 51473 1 157 . 1 . 1 33 33 ARG CB C 13 30.7917 . . . . . . . . 33 R CB . 51473 1 158 . 1 . 1 33 33 ARG N N 15 112.3320 . . . . . . . . 33 R N . 51473 1 159 . 1 . 1 34 34 GLY H H 1 7.2935 . . . . . . . . 34 G HN . 51473 1 160 . 1 . 1 34 34 GLY C C 13 174.9140 . . . . . . . . 34 G CO . 51473 1 161 . 1 . 1 34 34 GLY CA C 13 46.3062 . . . . . . . . 34 G CA . 51473 1 162 . 1 . 1 34 34 GLY N N 15 107.0946 . . . . . . . . 34 G N . 51473 1 163 . 1 . 1 35 35 TYR H H 1 8.2875 . . . . . . . . 35 Y HN . 51473 1 164 . 1 . 1 35 35 TYR C C 13 175.0562 . . . . . . . . 35 Y CO . 51473 1 165 . 1 . 1 35 35 TYR CA C 13 58.6696 . . . . . . . . 35 Y CA . 51473 1 166 . 1 . 1 35 35 TYR CB C 13 38.4081 . . . . . . . . 35 Y CB . 51473 1 167 . 1 . 1 35 35 TYR N N 15 118.9945 . . . . . . . . 35 Y N . 51473 1 168 . 1 . 1 36 36 LYS H H 1 9.9674 . . . . . . . . 36 K HN . 51473 1 169 . 1 . 1 36 36 LYS C C 13 176.7887 . . . . . . . . 36 K CO . 51473 1 170 . 1 . 1 36 36 LYS CA C 13 55.8132 . . . . . . . . 36 K CA . 51473 1 171 . 1 . 1 36 36 LYS CB C 13 33.4546 . . . . . . . . 36 K CB . 51473 1 172 . 1 . 1 36 36 LYS N N 15 121.4238 . . . . . . . . 36 K N . 51473 1 173 . 1 . 1 37 37 LEU H H 1 9.3502 . . . . . . . . 37 L HN . 51473 1 174 . 1 . 1 37 37 LEU C C 13 174.9617 . . . . . . . . 37 L CO . 51473 1 175 . 1 . 1 37 37 LEU CA C 13 53.5687 . . . . . . . . 37 L CA . 51473 1 176 . 1 . 1 37 37 LEU CB C 13 43.4190 . . . . . . . . 37 L CB . 51473 1 177 . 1 . 1 37 37 LEU N N 15 125.7035 . . . . . . . . 37 L N . 51473 1 178 . 1 . 1 38 38 PHE H H 1 8.7734 . . . . . . . . 38 F HN . 51473 1 179 . 1 . 1 38 38 PHE C C 13 172.9904 . . . . . . . . 38 F CO . 51473 1 180 . 1 . 1 38 38 PHE CA C 13 57.0133 . . . . . . . . 38 F CA . 51473 1 181 . 1 . 1 38 38 PHE CB C 13 39.5264 . . . . . . . . 38 F CB . 51473 1 182 . 1 . 1 38 38 PHE N N 15 124.4163 . . . . . . . . 38 F N . 51473 1 183 . 1 . 1 39 39 LEU H H 1 7.9164 . . . . . . . . 39 L HN . 51473 1 184 . 1 . 1 39 39 LEU C C 13 175.4682 . . . . . . . . 39 L CO . 51473 1 185 . 1 . 1 39 39 LEU CA C 13 54.7491 . . . . . . . . 39 L CA . 51473 1 186 . 1 . 1 39 39 LEU CB C 13 42.0962 . . . . . . . . 39 L CB . 51473 1 187 . 1 . 1 39 39 LEU N N 15 128.2246 . . . . . . . . 39 L N . 51473 1 188 . 1 . 1 40 40 ASP H H 1 8.6141 . . . . . . . . 40 D HN . 51473 1 189 . 1 . 1 40 40 ASP C C 13 174.4474 . . . . . . . . 40 D CO . 51473 1 190 . 1 . 1 40 40 ASP CA C 13 54.8126 . . . . . . . . 40 D CA . 51473 1 191 . 1 . 1 40 40 ASP CB C 13 44.2745 . . . . . . . . 40 D CB . 51473 1 192 . 1 . 1 40 40 ASP N N 15 120.5881 . . . . . . . . 40 D N . 51473 1 193 . 1 . 1 41 41 ASP H H 1 7.9931 . . . . . . . . 41 D HN . 51473 1 194 . 1 . 1 41 41 ASP C C 13 177.1483 . . . . . . . . 41 D CO . 51473 1 195 . 1 . 1 41 41 ASP CA C 13 52.6416 . . . . . . . . 41 D CA . 51473 1 196 . 1 . 1 41 41 ASP CB C 13 39.1713 . . . . . . . . 41 D CB . 51473 1 197 . 1 . 1 41 41 ASP N N 15 126.0256 . . . . . . . . 41 D N . 51473 1 198 . 1 . 1 42 42 ARG H H 1 8.1113 . . . . . . . . 42 R HN . 51473 1 199 . 1 . 1 42 42 ARG CA C 13 56.1820 . . . . . . . . 42 R CA . 51473 1 200 . 1 . 1 42 42 ARG CB C 13 30.6003 . . . . . . . . 42 R CB . 51473 1 201 . 1 . 1 42 42 ARG N N 15 119.6000 . . . . . . . . 42 R N . 51473 1 202 . 1 . 1 43 43 ASP H H 1 8.7617 . . . . . . . . 43 D HN . 51473 1 203 . 1 . 1 43 43 ASP CA C 13 54.7996 . . . . . . . . 43 D CA . 51473 1 204 . 1 . 1 43 43 ASP N N 15 121.5763 . . . . . . . . 43 D N . 51473 1 205 . 1 . 1 50 50 PRO C C 13 176.2846 . . . . . . . . 50 P CO . 51473 1 206 . 1 . 1 50 50 PRO CA C 13 62.6714 . . . . . . . . 50 P CA . 51473 1 207 . 1 . 1 51 51 SER H H 1 8.2306 . . . . . . . . 51 S HN . 51473 1 208 . 1 . 1 51 51 SER C C 13 174.6338 . . . . . . . . 51 S CO . 51473 1 209 . 1 . 1 51 51 SER CA C 13 57.4299 . . . . . . . . 51 S CA . 51473 1 210 . 1 . 1 51 51 SER CB C 13 64.6406 . . . . . . . . 51 S CB . 51473 1 211 . 1 . 1 51 51 SER N N 15 118.8455 . . . . . . . . 51 S N . 51473 1 212 . 1 . 1 52 52 ALA H H 1 8.8668 . . . . . . . . 52 A HN . 51473 1 213 . 1 . 1 52 52 ALA C C 13 179.9626 . . . . . . . . 52 A CO . 51473 1 214 . 1 . 1 52 52 ALA CA C 13 55.5801 . . . . . . . . 52 A CA . 51473 1 215 . 1 . 1 52 52 ALA CB C 13 17.4696 . . . . . . . . 52 A CB . 51473 1 216 . 1 . 1 52 52 ALA N N 15 125.0027 . . . . . . . . 52 A N . 51473 1 217 . 1 . 1 53 53 ASP H H 1 8.2560 . . . . . . . . 53 D HN . 51473 1 218 . 1 . 1 53 53 ASP C C 13 177.7934 . . . . . . . . 53 D CO . 51473 1 219 . 1 . 1 53 53 ASP CA C 13 56.6970 . . . . . . . . 53 D CA . 51473 1 220 . 1 . 1 53 53 ASP CB C 13 40.1527 . . . . . . . . 53 D CB . 51473 1 221 . 1 . 1 53 53 ASP N N 15 114.5974 . . . . . . . . 53 D N . 51473 1 222 . 1 . 1 54 54 LEU H H 1 7.6702 . . . . . . . . 54 L HN . 51473 1 223 . 1 . 1 54 54 LEU C C 13 178.2011 . . . . . . . . 54 L CO . 51473 1 224 . 1 . 1 54 54 LEU CA C 13 58.1055 . . . . . . . . 54 L CA . 51473 1 225 . 1 . 1 54 54 LEU CB C 13 40.1030 . . . . . . . . 54 L CB . 51473 1 226 . 1 . 1 54 54 LEU N N 15 121.5169 . . . . . . . . 54 L N . 51473 1 227 . 1 . 1 55 55 LEU H H 1 7.7171 . . . . . . . . 55 L HN . 51473 1 228 . 1 . 1 55 55 LEU C C 13 180.5172 . . . . . . . . 55 L CO . 51473 1 229 . 1 . 1 55 55 LEU CA C 13 58.4138 . . . . . . . . 55 L CA . 51473 1 230 . 1 . 1 55 55 LEU N N 15 116.9827 . . . . . . . . 55 L N . 51473 1 231 . 1 . 1 56 56 VAL H H 1 7.8184 . . . . . . . . 56 V HN . 51473 1 232 . 1 . 1 56 56 VAL C C 13 178.7817 . . . . . . . . 56 V CO . 51473 1 233 . 1 . 1 56 56 VAL CA C 13 65.6430 . . . . . . . . 56 V CA . 51473 1 234 . 1 . 1 56 56 VAL CB C 13 31.0040 . . . . . . . . 56 V CB . 51473 1 235 . 1 . 1 56 56 VAL N N 15 117.9429 . . . . . . . . 56 V N . 51473 1 236 . 1 . 1 57 57 ASN H H 1 8.0421 . . . . . . . . 57 N HN . 51473 1 237 . 1 . 1 57 57 ASN C C 13 178.6525 . . . . . . . . 57 N CO . 51473 1 238 . 1 . 1 57 57 ASN CA C 13 56.3477 . . . . . . . . 57 N CA . 51473 1 239 . 1 . 1 57 57 ASN CB C 13 37.7804 . . . . . . . . 57 N CB . 51473 1 240 . 1 . 1 57 57 ASN N N 15 118.2171 . . . . . . . . 57 N N . 51473 1 241 . 1 . 1 58 58 LEU H H 1 9.0874 . . . . . . . . 58 L HN . 51473 1 242 . 1 . 1 58 58 LEU C C 13 179.2132 . . . . . . . . 58 L CO . 51473 1 243 . 1 . 1 58 58 LEU CA C 13 58.2211 . . . . . . . . 58 L CA . 51473 1 244 . 1 . 1 58 58 LEU CB C 13 40.0527 . . . . . . . . 58 L CB . 51473 1 245 . 1 . 1 58 58 LEU N N 15 121.1028 . . . . . . . . 58 L N . 51473 1 246 . 1 . 1 59 59 SER H H 1 7.6741 . . . . . . . . 59 S HN . 51473 1 247 . 1 . 1 59 59 SER C C 13 174.9084 . . . . . . . . 59 S CO . 51473 1 248 . 1 . 1 59 59 SER CA C 13 61.2452 . . . . . . . . 59 S CA . 51473 1 249 . 1 . 1 59 59 SER CB C 13 62.5794 . . . . . . . . 59 S CB . 51473 1 250 . 1 . 1 59 59 SER N N 15 113.0323 . . . . . . . . 59 S N . 51473 1 251 . 1 . 1 60 60 ARG H H 1 7.2769 . . . . . . . . 60 R HN . 51473 1 252 . 1 . 1 60 60 ARG C C 13 175.3591 . . . . . . . . 60 R CO . 51473 1 253 . 1 . 1 60 60 ARG CA C 13 56.2020 . . . . . . . . 60 R CA . 51473 1 254 . 1 . 1 60 60 ARG CB C 13 30.4870 . . . . . . . . 60 R CB . 51473 1 255 . 1 . 1 60 60 ARG N N 15 117.7803 . . . . . . . . 60 R N . 51473 1 256 . 1 . 1 61 61 CYS H H 1 7.8471 . . . . . . . . 61 C HN . 51473 1 257 . 1 . 1 61 61 CYS C C 13 174.8120 . . . . . . . . 61 C CO . 51473 1 258 . 1 . 1 61 61 CYS CA C 13 56.7405 . . . . . . . . 61 C CA . 51473 1 259 . 1 . 1 61 61 CYS CB C 13 31.0780 . . . . . . . . 61 C CB . 51473 1 260 . 1 . 1 61 61 CYS N N 15 117.1018 . . . . . . . . 61 C N . 51473 1 261 . 1 . 1 62 62 ARG H H 1 8.2522 . . . . . . . . 62 R HN . 51473 1 262 . 1 . 1 62 62 ARG C C 13 176.7324 . . . . . . . . 62 R CO . 51473 1 263 . 1 . 1 62 62 ARG CA C 13 59.6106 . . . . . . . . 62 R CA . 51473 1 264 . 1 . 1 62 62 ARG N N 15 121.1421 . . . . . . . . 62 R N . 51473 1 265 . 1 . 1 63 63 ARG H H 1 7.5054 . . . . . . . . 63 R HN . 51473 1 266 . 1 . 1 63 63 ARG C C 13 173.3749 . . . . . . . . 63 R CO . 51473 1 267 . 1 . 1 63 63 ARG CA C 13 52.7022 . . . . . . . . 63 R CA . 51473 1 268 . 1 . 1 63 63 ARG CB C 13 34.1225 . . . . . . . . 63 R CB . 51473 1 269 . 1 . 1 63 63 ARG N N 15 115.9322 . . . . . . . . 63 R N . 51473 1 270 . 1 . 1 64 64 LEU H H 1 8.8358 . . . . . . . . 64 L HN . 51473 1 271 . 1 . 1 64 64 LEU C C 13 173.4354 . . . . . . . . 64 L CO . 51473 1 272 . 1 . 1 64 64 LEU CA C 13 53.9233 . . . . . . . . 64 L CA . 51473 1 273 . 1 . 1 64 64 LEU CB C 13 43.9429 . . . . . . . . 64 L CB . 51473 1 274 . 1 . 1 64 64 LEU N N 15 124.5598 . . . . . . . . 64 L N . 51473 1 275 . 1 . 1 65 65 ILE H H 1 9.6343 . . . . . . . . 65 I HN . 51473 1 276 . 1 . 1 65 65 ILE C C 13 173.5219 . . . . . . . . 65 I CO . 51473 1 277 . 1 . 1 65 65 ILE CA C 13 60.0148 . . . . . . . . 65 I CA . 51473 1 278 . 1 . 1 65 65 ILE CB C 13 39.7253 . . . . . . . . 65 I CB . 51473 1 279 . 1 . 1 65 65 ILE N N 15 124.8008 . . . . . . . . 65 I N . 51473 1 280 . 1 . 1 66 66 VAL H H 1 9.1669 . . . . . . . . 66 V HN . 51473 1 281 . 1 . 1 66 66 VAL C C 13 175.2305 . . . . . . . . 66 V CO . 51473 1 282 . 1 . 1 66 66 VAL CA C 13 60.6501 . . . . . . . . 66 V CA . 51473 1 283 . 1 . 1 66 66 VAL CB C 13 32.7213 . . . . . . . . 66 V CB . 51473 1 284 . 1 . 1 66 66 VAL N N 15 126.5503 . . . . . . . . 66 V N . 51473 1 285 . 1 . 1 67 67 VAL H H 1 8.4714 . . . . . . . . 67 V HN . 51473 1 286 . 1 . 1 67 67 VAL C C 13 173.3512 . . . . . . . . 67 V CO . 51473 1 287 . 1 . 1 67 67 VAL CA C 13 62.7935 . . . . . . . . 67 V CA . 51473 1 288 . 1 . 1 67 67 VAL CB C 13 28.9217 . . . . . . . . 67 V CB . 51473 1 289 . 1 . 1 67 67 VAL N N 15 127.8431 . . . . . . . . 67 V N . 51473 1 290 . 1 . 1 68 68 LEU H H 1 8.9652 . . . . . . . . 68 L HN . 51473 1 291 . 1 . 1 68 68 LEU C C 13 174.0698 . . . . . . . . 68 L CO . 51473 1 292 . 1 . 1 68 68 LEU CB C 13 40.3545 . . . . . . . . 68 L CB . 51473 1 293 . 1 . 1 68 68 LEU N N 15 107.3729 . . . . . . . . 68 L N . 51473 1 294 . 1 . 1 69 69 SER H H 1 7.6850 . . . . . . . . 69 S HN . 51473 1 295 . 1 . 1 69 69 SER C C 13 174.7861 . . . . . . . . 69 S CO . 51473 1 296 . 1 . 1 69 69 SER CA C 13 56.7343 . . . . . . . . 69 S CA . 51473 1 297 . 1 . 1 69 69 SER CB C 13 65.7653 . . . . . . . . 69 S CB . 51473 1 298 . 1 . 1 69 69 SER N N 15 115.2473 . . . . . . . . 69 S N . 51473 1 299 . 1 . 1 70 70 ASP H H 1 8.8935 . . . . . . . . 70 D HN . 51473 1 300 . 1 . 1 70 70 ASP C C 13 178.9368 . . . . . . . . 70 D CO . 51473 1 301 . 1 . 1 70 70 ASP CA C 13 57.9891 . . . . . . . . 70 D CA . 51473 1 302 . 1 . 1 70 70 ASP CB C 13 39.6327 . . . . . . . . 70 D CB . 51473 1 303 . 1 . 1 70 70 ASP N N 15 119.5332 . . . . . . . . 70 D N . 51473 1 304 . 1 . 1 71 71 ALA H H 1 8.2199 . . . . . . . . 71 A HN . 51473 1 305 . 1 . 1 71 71 ALA C C 13 181.4324 . . . . . . . . 71 A CO . 51473 1 306 . 1 . 1 71 71 ALA CA C 13 55.3109 . . . . . . . . 71 A CA . 51473 1 307 . 1 . 1 71 71 ALA CB C 13 18.5939 . . . . . . . . 71 A CB . 51473 1 308 . 1 . 1 71 71 ALA N N 15 121.6302 . . . . . . . . 71 A N . 51473 1 309 . 1 . 1 72 72 PHE H H 1 8.2387 . . . . . . . . 72 F HN . 51473 1 310 . 1 . 1 72 72 PHE CA C 13 61.9101 . . . . . . . . 72 F CA . 51473 1 311 . 1 . 1 72 72 PHE N N 15 124.5845 . . . . . . . . 72 F N . 51473 1 312 . 1 . 1 81 81 SER H H 1 8.1094 . . . . . . . . 81 S HN . 51473 1 313 . 1 . 1 81 81 SER CA C 13 57.2194 . . . . . . . . 81 S CA . 51473 1 314 . 1 . 1 81 81 SER CB C 13 64.1624 . . . . . . . . 81 S CB . 51473 1 315 . 1 . 1 81 81 SER N N 15 116.1000 . . . . . . . . 81 S N . 51473 1 316 . 1 . 1 82 82 PHE H H 1 8.5547 . . . . . . . . 82 F HN . 51473 1 317 . 1 . 1 82 82 PHE CA C 13 62.5900 . . . . . . . . 82 F CA . 51473 1 318 . 1 . 1 82 82 PHE CB C 13 38.1229 . . . . . . . . 82 F CB . 51473 1 319 . 1 . 1 82 82 PHE N N 15 123.2734 . . . . . . . . 82 F N . 51473 1 320 . 1 . 1 84 84 GLU H H 1 8.7766 . . . . . . . . 84 E HN . 51473 1 321 . 1 . 1 84 84 GLU C C 13 179.4836 . . . . . . . . 84 E CO . 51473 1 322 . 1 . 1 84 84 GLU CA C 13 60.2908 . . . . . . . . 84 E CA . 51473 1 323 . 1 . 1 84 84 GLU CB C 13 28.0204 . . . . . . . . 84 E CB . 51473 1 324 . 1 . 1 84 84 GLU N N 15 118.9378 . . . . . . . . 84 E N . 51473 1 325 . 1 . 1 85 85 GLY H H 1 8.4827 . . . . . . . . 85 G HN . 51473 1 326 . 1 . 1 85 85 GLY CA C 13 46.9857 . . . . . . . . 85 G CA . 51473 1 327 . 1 . 1 85 85 GLY N N 15 106.7407 . . . . . . . . 85 G N . 51473 1 328 . 1 . 1 86 86 LEU H H 1 8.8001 . . . . . . . . 86 L HN . 51473 1 329 . 1 . 1 86 86 LEU C C 13 178.1394 . . . . . . . . 86 L CO . 51473 1 330 . 1 . 1 86 86 LEU CA C 13 58.1049 . . . . . . . . 86 L CA . 51473 1 331 . 1 . 1 86 86 LEU CB C 13 40.0563 . . . . . . . . 86 L CB . 51473 1 332 . 1 . 1 86 86 LEU N N 15 122.1811 . . . . . . . . 86 L N . 51473 1 333 . 1 . 1 87 87 CYS H H 1 8.0861 . . . . . . . . 87 C HN . 51473 1 334 . 1 . 1 87 87 CYS C C 13 177.5048 . . . . . . . . 87 C CO . 51473 1 335 . 1 . 1 87 87 CYS CA C 13 64.1090 . . . . . . . . 87 C CA . 51473 1 336 . 1 . 1 87 87 CYS CB C 13 25.9425 . . . . . . . . 87 C CB . 51473 1 337 . 1 . 1 87 87 CYS N N 15 115.2240 . . . . . . . . 87 C N . 51473 1 338 . 1 . 1 88 88 ARG H H 1 7.6898 . . . . . . . . 88 R HN . 51473 1 339 . 1 . 1 88 88 ARG C C 13 179.4791 . . . . . . . . 88 R CO . 51473 1 340 . 1 . 1 88 88 ARG CA C 13 58.0946 . . . . . . . . 88 R CA . 51473 1 341 . 1 . 1 88 88 ARG CB C 13 28.7069 . . . . . . . . 88 R CB . 51473 1 342 . 1 . 1 88 88 ARG N N 15 117.7220 . . . . . . . . 88 R N . 51473 1 343 . 1 . 1 89 89 LEU H H 1 8.2450 . . . . . . . . 89 L HN . 51473 1 344 . 1 . 1 89 89 LEU C C 13 179.2131 . . . . . . . . 89 L CO . 51473 1 345 . 1 . 1 89 89 LEU CA C 13 58.2603 . . . . . . . . 89 L CA . 51473 1 346 . 1 . 1 89 89 LEU CB C 13 40.6058 . . . . . . . . 89 L CB . 51473 1 347 . 1 . 1 89 89 LEU N N 15 118.8147 . . . . . . . . 89 L N . 51473 1 348 . 1 . 1 90 90 LEU H H 1 8.2454 . . . . . . . . 90 L HN . 51473 1 349 . 1 . 1 90 90 LEU C C 13 178.6347 . . . . . . . . 90 L CO . 51473 1 350 . 1 . 1 90 90 LEU CA C 13 56.6702 . . . . . . . . 90 L CA . 51473 1 351 . 1 . 1 90 90 LEU CB C 13 40.0702 . . . . . . . . 90 L CB . 51473 1 352 . 1 . 1 90 90 LEU N N 15 116.7715 . . . . . . . . 90 L N . 51473 1 353 . 1 . 1 91 91 GLU H H 1 7.3460 . . . . . . . . 91 E HN . 51473 1 354 . 1 . 1 91 91 GLU C C 13 177.8108 . . . . . . . . 91 E CO . 51473 1 355 . 1 . 1 91 91 GLU CA C 13 57.6791 . . . . . . . . 91 E CA . 51473 1 356 . 1 . 1 91 91 GLU CB C 13 29.2694 . . . . . . . . 91 E CB . 51473 1 357 . 1 . 1 91 91 GLU N N 15 116.1876 . . . . . . . . 91 E N . 51473 1 358 . 1 . 1 92 92 LEU H H 1 7.5474 . . . . . . . . 92 L HN . 51473 1 359 . 1 . 1 92 92 LEU C C 13 176.5559 . . . . . . . . 92 L CO . 51473 1 360 . 1 . 1 92 92 LEU CA C 13 55.5402 . . . . . . . . 92 L CA . 51473 1 361 . 1 . 1 92 92 LEU N N 15 117.3972 . . . . . . . . 92 L N . 51473 1 362 . 1 . 1 93 93 THR H H 1 7.9623 . . . . . . . . 93 T HN . 51473 1 363 . 1 . 1 93 93 THR C C 13 170.3970 . . . . . . . . 93 T CO . 51473 1 364 . 1 . 1 93 93 THR CA C 13 60.2046 . . . . . . . . 93 T CA . 51473 1 365 . 1 . 1 93 93 THR CB C 13 69.1564 . . . . . . . . 93 T CB . 51473 1 366 . 1 . 1 93 93 THR N N 15 114.0932 . . . . . . . . 93 T N . 51473 1 367 . 1 . 1 94 94 ARG H H 1 7.9262 . . . . . . . . 94 R HN . 51473 1 368 . 1 . 1 94 94 ARG C C 13 176.1679 . . . . . . . . 94 R CO . 51473 1 369 . 1 . 1 94 94 ARG CA C 13 55.6158 . . . . . . . . 94 R CA . 51473 1 370 . 1 . 1 94 94 ARG CB C 13 30.7209 . . . . . . . . 94 R CB . 51473 1 371 . 1 . 1 94 94 ARG N N 15 122.3716 . . . . . . . . 94 R N . 51473 1 372 . 1 . 1 95 95 ARG H H 1 9.3960 . . . . . . . . 95 R HN . 51473 1 373 . 1 . 1 95 95 ARG C C 13 171.8754 . . . . . . . . 95 R CO . 51473 1 374 . 1 . 1 95 95 ARG CA C 13 55.7611 . . . . . . . . 95 R CA . 51473 1 375 . 1 . 1 95 95 ARG CB C 13 28.4603 . . . . . . . . 95 R CB . 51473 1 376 . 1 . 1 95 95 ARG N N 15 122.1262 . . . . . . . . 95 R N . 51473 1 377 . 1 . 1 96 96 PRO C C 13 174.0782 . . . . . . . . 96 P CO . 51473 1 378 . 1 . 1 96 96 PRO CA C 13 63.4514 . . . . . . . . 96 P CA . 51473 1 379 . 1 . 1 97 97 ILE H H 1 8.7192 . . . . . . . . 97 I HN . 51473 1 380 . 1 . 1 97 97 ILE C C 13 174.3799 . . . . . . . . 97 I CO . 51473 1 381 . 1 . 1 97 97 ILE CA C 13 59.9906 . . . . . . . . 97 I CA . 51473 1 382 . 1 . 1 97 97 ILE CB C 13 38.8645 . . . . . . . . 97 I CB . 51473 1 383 . 1 . 1 97 97 ILE N N 15 120.4480 . . . . . . . . 97 I N . 51473 1 384 . 1 . 1 98 98 PHE H H 1 9.2367 . . . . . . . . 98 F HN . 51473 1 385 . 1 . 1 98 98 PHE C C 13 174.3069 . . . . . . . . 98 F CO . 51473 1 386 . 1 . 1 98 98 PHE CA C 13 56.2176 . . . . . . . . 98 F CA . 51473 1 387 . 1 . 1 98 98 PHE CB C 13 41.0369 . . . . . . . . 98 F CB . 51473 1 388 . 1 . 1 98 98 PHE N N 15 124.6962 . . . . . . . . 98 F N . 51473 1 389 . 1 . 1 99 99 ILE H H 1 8.9022 . . . . . . . . 99 I HN . 51473 1 390 . 1 . 1 99 99 ILE C C 13 173.9264 . . . . . . . . 99 I CO . 51473 1 391 . 1 . 1 99 99 ILE CA C 13 61.1718 . . . . . . . . 99 I CA . 51473 1 392 . 1 . 1 99 99 ILE CB C 13 38.8490 . . . . . . . . 99 I CB . 51473 1 393 . 1 . 1 99 99 ILE N N 15 122.6661 . . . . . . . . 99 I N . 51473 1 394 . 1 . 1 100 100 THR H H 1 8.2621 . . . . . . . . 100 T HN . 51473 1 395 . 1 . 1 100 100 THR C C 13 172.1580 . . . . . . . . 100 T CO . 51473 1 396 . 1 . 1 100 100 THR CA C 13 59.4870 . . . . . . . . 100 T CA . 51473 1 397 . 1 . 1 100 100 THR CB C 13 70.8168 . . . . . . . . 100 T CB . 51473 1 398 . 1 . 1 100 100 THR N N 15 116.6490 . . . . . . . . 100 T N . 51473 1 399 . 1 . 1 101 101 PHE H H 1 8.7417 . . . . . . . . 101 F HN . 51473 1 400 . 1 . 1 101 101 PHE C C 13 176.5604 . . . . . . . . 101 F CO . 51473 1 401 . 1 . 1 101 101 PHE CA C 13 57.5310 . . . . . . . . 101 F CA . 51473 1 402 . 1 . 1 101 101 PHE CB C 13 41.0345 . . . . . . . . 101 F CB . 51473 1 403 . 1 . 1 101 101 PHE N N 15 117.2325 . . . . . . . . 101 F N . 51473 1 404 . 1 . 1 102 102 GLU H H 1 8.6691 . . . . . . . . 102 E HN . 51473 1 405 . 1 . 1 102 102 GLU C C 13 177.0477 . . . . . . . . 102 E CO . 51473 1 406 . 1 . 1 102 102 GLU CA C 13 57.9236 . . . . . . . . 102 E CA . 51473 1 407 . 1 . 1 102 102 GLU CB C 13 30.2877 . . . . . . . . 102 E CB . 51473 1 408 . 1 . 1 102 102 GLU N N 15 124.0884 . . . . . . . . 102 E N . 51473 1 409 . 1 . 1 103 103 GLY H H 1 8.8263 . . . . . . . . 103 G HN . 51473 1 410 . 1 . 1 103 103 GLY C C 13 174.6374 . . . . . . . . 103 G CO . 51473 1 411 . 1 . 1 103 103 GLY CA C 13 45.2402 . . . . . . . . 103 G CA . 51473 1 412 . 1 . 1 103 103 GLY N N 15 110.6981 . . . . . . . . 103 G N . 51473 1 413 . 1 . 1 104 104 GLN H H 1 7.8432 . . . . . . . . 104 Q HN . 51473 1 414 . 1 . 1 104 104 GLN C C 13 176.3291 . . . . . . . . 104 Q CO . 51473 1 415 . 1 . 1 104 104 GLN CA C 13 56.2974 . . . . . . . . 104 Q CA . 51473 1 416 . 1 . 1 104 104 GLN CB C 13 28.7938 . . . . . . . . 104 Q CB . 51473 1 417 . 1 . 1 104 104 GLN N N 15 118.4665 . . . . . . . . 104 Q N . 51473 1 418 . 1 . 1 105 105 ARG H H 1 8.1227 . . . . . . . . 105 R HN . 51473 1 419 . 1 . 1 105 105 ARG C C 13 175.7607 . . . . . . . . 105 R CO . 51473 1 420 . 1 . 1 105 105 ARG CA C 13 56.8693 . . . . . . . . 105 R CA . 51473 1 421 . 1 . 1 105 105 ARG CB C 13 28.9816 . . . . . . . . 105 R CB . 51473 1 422 . 1 . 1 105 105 ARG N N 15 121.2474 . . . . . . . . 105 R N . 51473 1 423 . 1 . 1 106 106 ARG H H 1 7.9693 . . . . . . . . 106 R HN . 51473 1 424 . 1 . 1 106 106 ARG C C 13 174.2498 . . . . . . . . 106 R CO . 51473 1 425 . 1 . 1 106 106 ARG CA C 13 55.5506 . . . . . . . . 106 R CA . 51473 1 426 . 1 . 1 106 106 ARG N N 15 122.2728 . . . . . . . . 106 R N . 51473 1 427 . 1 . 1 107 107 ASP H H 1 8.1165 . . . . . . . . 107 D HN . 51473 1 428 . 1 . 1 107 107 ASP CA C 13 51.8914 . . . . . . . . 107 D CA . 51473 1 429 . 1 . 1 107 107 ASP CB C 13 42.2603 . . . . . . . . 107 D CB . 51473 1 430 . 1 . 1 107 107 ASP N N 15 120.0363 . . . . . . . . 107 D N . 51473 1 431 . 1 . 1 108 108 PRO C C 13 176.5148 . . . . . . . . 108 P CO . 51473 1 432 . 1 . 1 108 108 PRO CA C 13 63.6941 . . . . . . . . 108 P CA . 51473 1 433 . 1 . 1 109 109 ALA H H 1 8.3081 . . . . . . . . 109 A HN . 51473 1 434 . 1 . 1 109 109 ALA C C 13 176.8788 . . . . . . . . 109 A CO . 51473 1 435 . 1 . 1 109 109 ALA CA C 13 51.8106 . . . . . . . . 109 A CA . 51473 1 436 . 1 . 1 109 109 ALA CB C 13 18.1971 . . . . . . . . 109 A CB . 51473 1 437 . 1 . 1 109 109 ALA N N 15 121.6667 . . . . . . . . 109 A N . 51473 1 438 . 1 . 1 110 110 HIS H H 1 7.9114 . . . . . . . . 110 H HN . 51473 1 439 . 1 . 1 110 110 HIS C C 13 176.0993 . . . . . . . . 110 H CO . 51473 1 440 . 1 . 1 110 110 HIS CA C 13 56.5625 . . . . . . . . 110 H CA . 51473 1 441 . 1 . 1 110 110 HIS N N 15 123.1025 . . . . . . . . 110 H N . 51473 1 442 . 1 . 1 112 112 ALA CA C 13 55.6120 . . . . . . . . 112 A CA . 51473 1 443 . 1 . 1 112 112 ALA CB C 13 16.8129 . . . . . . . . 112 A CB . 51473 1 444 . 1 . 1 113 113 LEU H H 1 7.2221 . . . . . . . . 113 L HN . 51473 1 445 . 1 . 1 113 113 LEU C C 13 179.5426 . . . . . . . . 113 L CO . 51473 1 446 . 1 . 1 113 113 LEU CA C 13 57.4422 . . . . . . . . 113 L CA . 51473 1 447 . 1 . 1 113 113 LEU CB C 13 39.7897 . . . . . . . . 113 L CB . 51473 1 448 . 1 . 1 113 113 LEU N N 15 116.2806 . . . . . . . . 113 L N . 51473 1 449 . 1 . 1 114 114 ARG H H 1 7.7640 . . . . . . . . 114 R HN . 51473 1 450 . 1 . 1 114 114 ARG C C 13 179.0627 . . . . . . . . 114 R CO . 51473 1 451 . 1 . 1 114 114 ARG CA C 13 59.5891 . . . . . . . . 114 R CA . 51473 1 452 . 1 . 1 114 114 ARG CB C 13 28.9409 . . . . . . . . 114 R CB . 51473 1 453 . 1 . 1 114 114 ARG N N 15 118.5450 . . . . . . . . 114 R N . 51473 1 454 . 1 . 1 115 115 LEU H H 1 7.7817 . . . . . . . . 115 L HN . 51473 1 455 . 1 . 1 115 115 LEU C C 13 180.7017 . . . . . . . . 115 L CO . 51473 1 456 . 1 . 1 115 115 LEU CA C 13 58.0782 . . . . . . . . 115 L CA . 51473 1 457 . 1 . 1 115 115 LEU CB C 13 40.9776 . . . . . . . . 115 L CB . 51473 1 458 . 1 . 1 115 115 LEU N N 15 119.5890 . . . . . . . . 115 L N . 51473 1 459 . 1 . 1 116 116 LEU H H 1 8.4337 . . . . . . . . 116 L HN . 51473 1 460 . 1 . 1 116 116 LEU C C 13 178.9559 . . . . . . . . 116 L CO . 51473 1 461 . 1 . 1 116 116 LEU CA C 13 58.5689 . . . . . . . . 116 L CA . 51473 1 462 . 1 . 1 116 116 LEU CB C 13 40.6873 . . . . . . . . 116 L CB . 51473 1 463 . 1 . 1 116 116 LEU N N 15 121.2056 . . . . . . . . 116 L N . 51473 1 464 . 1 . 1 117 117 ARG H H 1 7.8993 . . . . . . . . 117 R HN . 51473 1 465 . 1 . 1 117 117 ARG C C 13 179.2516 . . . . . . . . 117 R CO . 51473 1 466 . 1 . 1 117 117 ARG CA C 13 59.6353 . . . . . . . . 117 R CA . 51473 1 467 . 1 . 1 117 117 ARG CB C 13 28.9268 . . . . . . . . 117 R CB . 51473 1 468 . 1 . 1 117 117 ARG N N 15 116.8914 . . . . . . . . 117 R N . 51473 1 469 . 1 . 1 118 118 GLN H H 1 7.7853 . . . . . . . . 118 Q HN . 51473 1 470 . 1 . 1 118 118 GLN C C 13 176.3831 . . . . . . . . 118 Q CO . 51473 1 471 . 1 . 1 118 118 GLN CA C 13 57.5500 . . . . . . . . 118 Q CA . 51473 1 472 . 1 . 1 118 118 GLN CB C 13 27.7527 . . . . . . . . 118 Q CB . 51473 1 473 . 1 . 1 118 118 GLN N N 15 117.7222 . . . . . . . . 118 Q N . 51473 1 474 . 1 . 1 119 119 HIS H H 1 7.7774 . . . . . . . . 119 H HN . 51473 1 475 . 1 . 1 119 119 HIS C C 13 176.1188 . . . . . . . . 119 H CO . 51473 1 476 . 1 . 1 119 119 HIS CA C 13 56.6338 . . . . . . . . 119 H CA . 51473 1 477 . 1 . 1 119 119 HIS CB C 13 27.8133 . . . . . . . . 119 H CB . 51473 1 478 . 1 . 1 119 119 HIS N N 15 116.6660 . . . . . . . . 119 H N . 51473 1 479 . 1 . 1 120 120 ARG H H 1 7.4571 . . . . . . . . 120 R HN . 51473 1 480 . 1 . 1 120 120 ARG C C 13 175.5305 . . . . . . . . 120 R CO . 51473 1 481 . 1 . 1 120 120 ARG CA C 13 59.0801 . . . . . . . . 120 R CA . 51473 1 482 . 1 . 1 120 120 ARG CB C 13 28.7682 . . . . . . . . 120 R CB . 51473 1 483 . 1 . 1 120 120 ARG N N 15 119.2372 . . . . . . . . 120 R N . 51473 1 484 . 1 . 1 121 121 HIS H H 1 8.9802 . . . . . . . . 121 H HN . 51473 1 485 . 1 . 1 121 121 HIS C C 13 175.9999 . . . . . . . . 121 H CO . 51473 1 486 . 1 . 1 121 121 HIS CA C 13 57.4949 . . . . . . . . 121 H CA . 51473 1 487 . 1 . 1 121 121 HIS CB C 13 28.9964 . . . . . . . . 121 H CB . 51473 1 488 . 1 . 1 121 121 HIS N N 15 115.5462 . . . . . . . . 121 H N . 51473 1 489 . 1 . 1 122 122 LEU H H 1 7.9695 . . . . . . . . 122 L HN . 51473 1 490 . 1 . 1 122 122 LEU C C 13 176.0612 . . . . . . . . 122 L CO . 51473 1 491 . 1 . 1 122 122 LEU CA C 13 55.1934 . . . . . . . . 122 L CA . 51473 1 492 . 1 . 1 122 122 LEU CB C 13 44.3406 . . . . . . . . 122 L CB . 51473 1 493 . 1 . 1 122 122 LEU N N 15 119.1970 . . . . . . . . 122 L N . 51473 1 494 . 1 . 1 123 123 VAL H H 1 7.4653 . . . . . . . . 123 V HN . 51473 1 495 . 1 . 1 123 123 VAL C C 13 173.7686 . . . . . . . . 123 V CO . 51473 1 496 . 1 . 1 123 123 VAL CA C 13 58.6600 . . . . . . . . 123 V CA . 51473 1 497 . 1 . 1 123 123 VAL CB C 13 34.4286 . . . . . . . . 123 V CB . 51473 1 498 . 1 . 1 123 123 VAL N N 15 109.8064 . . . . . . . . 123 V N . 51473 1 499 . 1 . 1 124 124 THR H H 1 8.9026 . . . . . . . . 124 T HN . 51473 1 500 . 1 . 1 124 124 THR C C 13 172.5987 . . . . . . . . 124 T CO . 51473 1 501 . 1 . 1 124 124 THR CA C 13 62.3247 . . . . . . . . 124 T CA . 51473 1 502 . 1 . 1 124 124 THR CB C 13 69.6456 . . . . . . . . 124 T CB . 51473 1 503 . 1 . 1 124 124 THR N N 15 118.6655 . . . . . . . . 124 T N . 51473 1 504 . 1 . 1 125 125 LEU H H 1 8.8235 . . . . . . . . 125 L HN . 51473 1 505 . 1 . 1 125 125 LEU C C 13 175.1081 . . . . . . . . 125 L CO . 51473 1 506 . 1 . 1 125 125 LEU CA C 13 54.1811 . . . . . . . . 125 L CA . 51473 1 507 . 1 . 1 125 125 LEU CB C 13 42.4550 . . . . . . . . 125 L CB . 51473 1 508 . 1 . 1 125 125 LEU N N 15 129.7009 . . . . . . . . 125 L N . 51473 1 509 . 1 . 1 126 126 LEU H H 1 8.9719 . . . . . . . . 126 L HN . 51473 1 510 . 1 . 1 126 126 LEU C C 13 175.0792 . . . . . . . . 126 L CO . 51473 1 511 . 1 . 1 126 126 LEU CA C 13 53.1947 . . . . . . . . 126 L CA . 51473 1 512 . 1 . 1 126 126 LEU CB C 13 44.1334 . . . . . . . . 126 L CB . 51473 1 513 . 1 . 1 126 126 LEU N N 15 125.4554 . . . . . . . . 126 L N . 51473 1 514 . 1 . 1 127 127 LEU H H 1 8.8866 . . . . . . . . 127 L HN . 51473 1 515 . 1 . 1 127 127 LEU C C 13 174.5663 . . . . . . . . 127 L CO . 51473 1 516 . 1 . 1 127 127 LEU CA C 13 53.6474 . . . . . . . . 127 L CA . 51473 1 517 . 1 . 1 127 127 LEU CB C 13 43.3627 . . . . . . . . 127 L CB . 51473 1 518 . 1 . 1 127 127 LEU N N 15 125.7287 . . . . . . . . 127 L N . 51473 1 519 . 1 . 1 128 128 TRP H H 1 9.1192 . . . . . . . . 128 W HN . 51473 1 520 . 1 . 1 128 128 TRP C C 13 174.7264 . . . . . . . . 128 W CO . 51473 1 521 . 1 . 1 128 128 TRP CA C 13 57.3546 . . . . . . . . 128 W CA . 51473 1 522 . 1 . 1 128 128 TRP CB C 13 28.6488 . . . . . . . . 128 W CB . 51473 1 523 . 1 . 1 128 128 TRP N N 15 128.0610 . . . . . . . . 128 W N . 51473 1 524 . 1 . 1 129 129 ARG H H 1 7.5722 . . . . . . . . 129 R HN . 51473 1 525 . 1 . 1 129 129 ARG C C 13 173.4821 . . . . . . . . 129 R CO . 51473 1 526 . 1 . 1 129 129 ARG CA C 13 53.1419 . . . . . . . . 129 R CA . 51473 1 527 . 1 . 1 129 129 ARG CB C 13 29.8704 . . . . . . . . 129 R CB . 51473 1 528 . 1 . 1 129 129 ARG N N 15 127.7750 . . . . . . . . 129 R N . 51473 1 529 . 1 . 1 131 131 GLY H H 1 8.3692 . . . . . . . . 131 G HN . 51473 1 530 . 1 . 1 131 131 GLY C C 13 175.6654 . . . . . . . . 131 G CO . 51473 1 531 . 1 . 1 131 131 GLY CA C 13 44.7229 . . . . . . . . 131 G CA . 51473 1 532 . 1 . 1 131 131 GLY N N 15 105.8461 . . . . . . . . 131 G N . 51473 1 533 . 1 . 1 132 132 SER H H 1 8.0203 . . . . . . . . 132 S HN . 51473 1 534 . 1 . 1 132 132 SER CA C 13 60.5340 . . . . . . . . 132 S CA . 51473 1 535 . 1 . 1 132 132 SER CB C 13 61.8476 . . . . . . . . 132 S CB . 51473 1 536 . 1 . 1 132 132 SER N N 15 117.4087 . . . . . . . . 132 S N . 51473 1 537 . 1 . 1 133 133 VAL H H 1 7.3246 . . . . . . . . 133 V HN . 51473 1 538 . 1 . 1 133 133 VAL C C 13 175.7749 . . . . . . . . 133 V CO . 51473 1 539 . 1 . 1 133 133 VAL CA C 13 64.1043 . . . . . . . . 133 V CA . 51473 1 540 . 1 . 1 133 133 VAL CB C 13 31.4804 . . . . . . . . 133 V CB . 51473 1 541 . 1 . 1 133 133 VAL N N 15 115.9245 . . . . . . . . 133 V N . 51473 1 542 . 1 . 1 134 134 THR H H 1 7.4973 . . . . . . . . 134 T HN . 51473 1 543 . 1 . 1 134 134 THR C C 13 174.5015 . . . . . . . . 134 T CO . 51473 1 544 . 1 . 1 134 134 THR CA C 13 60.4409 . . . . . . . . 134 T CA . 51473 1 545 . 1 . 1 134 134 THR CB C 13 68.7882 . . . . . . . . 134 T CB . 51473 1 546 . 1 . 1 134 134 THR N N 15 117.1565 . . . . . . . . 134 T N . 51473 1 547 . 1 . 1 136 136 SER H H 1 7.6854 . . . . . . . . 136 S HN . 51473 1 548 . 1 . 1 136 136 SER C C 13 174.6790 . . . . . . . . 136 S CO . 51473 1 549 . 1 . 1 136 136 SER CA C 13 58.0283 . . . . . . . . 136 S CA . 51473 1 550 . 1 . 1 136 136 SER CB C 13 62.8202 . . . . . . . . 136 S CB . 51473 1 551 . 1 . 1 136 136 SER N N 15 109.9490 . . . . . . . . 136 S N . 51473 1 552 . 1 . 1 137 137 SER H H 1 8.3483 . . . . . . . . 137 S HN . 51473 1 553 . 1 . 1 137 137 SER C C 13 175.0443 . . . . . . . . 137 S CO . 51473 1 554 . 1 . 1 137 137 SER CA C 13 59.0961 . . . . . . . . 137 S CA . 51473 1 555 . 1 . 1 137 137 SER CB C 13 64.2487 . . . . . . . . 137 S CB . 51473 1 556 . 1 . 1 137 137 SER N N 15 118.9194 . . . . . . . . 137 S N . 51473 1 557 . 1 . 1 138 138 ASP H H 1 8.7389 . . . . . . . . 138 D HN . 51473 1 558 . 1 . 1 138 138 ASP C C 13 177.0517 . . . . . . . . 138 D CO . 51473 1 559 . 1 . 1 138 138 ASP CA C 13 57.0678 . . . . . . . . 138 D CA . 51473 1 560 . 1 . 1 138 138 ASP CB C 13 39.7615 . . . . . . . . 138 D CB . 51473 1 561 . 1 . 1 138 138 ASP N N 15 121.6097 . . . . . . . . 138 D N . 51473 1 562 . 1 . 1 139 139 PHE H H 1 8.0757 . . . . . . . . 139 F HN . 51473 1 563 . 1 . 1 139 139 PHE C C 13 176.2984 . . . . . . . . 139 F CO . 51473 1 564 . 1 . 1 139 139 PHE CA C 13 62.1694 . . . . . . . . 139 F CA . 51473 1 565 . 1 . 1 139 139 PHE CB C 13 38.8596 . . . . . . . . 139 F CB . 51473 1 566 . 1 . 1 139 139 PHE N N 15 120.3836 . . . . . . . . 139 F N . 51473 1 567 . 1 . 1 140 140 TRP H H 1 7.0799 . . . . . . . . 140 W HN . 51473 1 568 . 1 . 1 140 140 TRP C C 13 179.2648 . . . . . . . . 140 W CO . 51473 1 569 . 1 . 1 140 140 TRP CA C 13 58.6214 . . . . . . . . 140 W CA . 51473 1 570 . 1 . 1 140 140 TRP CB C 13 28.8320 . . . . . . . . 140 W CB . 51473 1 571 . 1 . 1 140 140 TRP N N 15 115.8582 . . . . . . . . 140 W N . 51473 1 572 . 1 . 1 141 141 LYS H H 1 7.6406 . . . . . . . . 141 K HN . 51473 1 573 . 1 . 1 141 141 LYS C C 13 179.2791 . . . . . . . . 141 K CO . 51473 1 574 . 1 . 1 141 141 LYS CA C 13 59.5428 . . . . . . . . 141 K CA . 51473 1 575 . 1 . 1 141 141 LYS CB C 13 31.4439 . . . . . . . . 141 K CB . 51473 1 576 . 1 . 1 141 141 LYS N N 15 120.1214 . . . . . . . . 141 K N . 51473 1 577 . 1 . 1 142 142 GLU H H 1 8.1627 . . . . . . . . 142 E HN . 51473 1 578 . 1 . 1 142 142 GLU C C 13 180.2685 . . . . . . . . 142 E CO . 51473 1 579 . 1 . 1 142 142 GLU CA C 13 59.2240 . . . . . . . . 142 E CA . 51473 1 580 . 1 . 1 142 142 GLU CB C 13 28.5896 . . . . . . . . 142 E CB . 51473 1 581 . 1 . 1 142 142 GLU N N 15 118.4216 . . . . . . . . 142 E N . 51473 1 582 . 1 . 1 143 143 VAL H H 1 8.3267 . . . . . . . . 143 V HN . 51473 1 583 . 1 . 1 143 143 VAL C C 13 176.4243 . . . . . . . . 143 V CO . 51473 1 584 . 1 . 1 143 143 VAL CA C 13 66.0567 . . . . . . . . 143 V CA . 51473 1 585 . 1 . 1 143 143 VAL CB C 13 30.0451 . . . . . . . . 143 V CB . 51473 1 586 . 1 . 1 143 143 VAL N N 15 120.2649 . . . . . . . . 143 V N . 51473 1 587 . 1 . 1 144 144 GLN H H 1 7.6989 . . . . . . . . 144 Q HN . 51473 1 588 . 1 . 1 144 144 GLN C C 13 178.4518 . . . . . . . . 144 Q CO . 51473 1 589 . 1 . 1 144 144 GLN CA C 13 59.0681 . . . . . . . . 144 Q CA . 51473 1 590 . 1 . 1 144 144 GLN CB C 13 28.4100 . . . . . . . . 144 Q CB . 51473 1 591 . 1 . 1 144 144 GLN N N 15 117.4784 . . . . . . . . 144 Q N . 51473 1 592 . 1 . 1 145 145 LEU H H 1 7.5554 . . . . . . . . 145 L HN . 51473 1 593 . 1 . 1 145 145 LEU C C 13 178.1897 . . . . . . . . 145 L CO . 51473 1 594 . 1 . 1 145 145 LEU CA C 13 57.0078 . . . . . . . . 145 L CA . 51473 1 595 . 1 . 1 145 145 LEU CB C 13 41.2053 . . . . . . . . 145 L CB . 51473 1 596 . 1 . 1 145 145 LEU N N 15 117.8793 . . . . . . . . 145 L N . 51473 1 597 . 1 . 1 146 146 ALA H H 1 7.4856 . . . . . . . . 146 A HN . 51473 1 598 . 1 . 1 146 146 ALA C C 13 176.9820 . . . . . . . . 146 A CO . 51473 1 599 . 1 . 1 146 146 ALA CA C 13 53.0674 . . . . . . . . 146 A CA . 51473 1 600 . 1 . 1 146 146 ALA CB C 13 18.7834 . . . . . . . . 146 A CB . 51473 1 601 . 1 . 1 146 146 ALA N N 15 119.8661 . . . . . . . . 146 A N . 51473 1 602 . 1 . 1 147 147 LEU H H 1 7.6692 . . . . . . . . 147 L HN . 51473 1 603 . 1 . 1 147 147 LEU C C 13 172.6294 . . . . . . . . 147 L CO . 51473 1 604 . 1 . 1 147 147 LEU CA C 13 52.6358 . . . . . . . . 147 L CA . 51473 1 605 . 1 . 1 147 147 LEU CB C 13 40.7291 . . . . . . . . 147 L CB . 51473 1 606 . 1 . 1 147 147 LEU N N 15 119.9053 . . . . . . . . 147 L N . 51473 1 607 . 1 . 1 148 148 PRO C C 13 177.2150 . . . . . . . . 148 P CO . 51473 1 608 . 1 . 1 148 148 PRO CA C 13 63.3015 . . . . . . . . 148 P CA . 51473 1 609 . 1 . 1 148 148 PRO CB C 13 31.3240 . . . . . . . . 148 P CB . 51473 1 610 . 1 . 1 149 149 ARG H H 1 8.6502 . . . . . . . . 149 R HN . 51473 1 611 . 1 . 1 149 149 ARG C C 13 175.5103 . . . . . . . . 149 R CO . 51473 1 612 . 1 . 1 149 149 ARG CA C 13 56.3705 . . . . . . . . 149 R CA . 51473 1 613 . 1 . 1 149 149 ARG CB C 13 29.8682 . . . . . . . . 149 R CB . 51473 1 614 . 1 . 1 149 149 ARG N N 15 122.4965 . . . . . . . . 149 R N . 51473 1 615 . 1 . 1 150 150 LYS H H 1 8.0855 . . . . . . . . 150 K HN . 51473 1 616 . 1 . 1 150 150 LYS C C 13 181.1059 . . . . . . . . 150 K CO . 51473 1 617 . 1 . 1 150 150 LYS CA C 13 57.3895 . . . . . . . . 150 K CA . 51473 1 618 . 1 . 1 150 150 LYS CB C 13 32.8337 . . . . . . . . 150 K CB . 51473 1 619 . 1 . 1 150 150 LYS N N 15 127.6775 . . . . . . . . 150 K N . 51473 1 stop_ save_