data_50739 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50739 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift assignments for the +7K+12D mutant of hnRNPA1-LCD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-01-29 _Entry.Accession_date 2021-01-29 _Entry.Last_release_date 2021-01-30 _Entry.Original_release_date 2021-01-30 _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 Wade Borcherds . M. . 0000-0003-3459-4014 50739 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . "St Jude Children's Research Hospital, Structural Biology Department, Lab of Tanja Mittag" . 50739 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50739 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 334 50739 '15N chemical shifts' 128 50739 '1H chemical shifts' 128 50739 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 . . 2022-04-15 . original BMRB . 50739 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50739 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34931046 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Deciphering how naturally occurring sequence features impact the phase behaviours of disordered prion-like domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chem.' _Citation.Journal_name_full 'Nature chemistry' _Citation.Journal_volume 14 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1755-4349 _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 196 _Citation.Page_last 207 _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 Anne Bremer . . . . 50739 1 2 Mina Farag . . . . 50739 1 3 Wade Borcherds . M. . . 50739 1 4 Ivan Peran . . . . 50739 1 5 Erik Martin . W. . . 50739 1 6 Rohit Pappu . V. . . 50739 1 7 Tanja Mittag . . . . 50739 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Phase separation, LLPS' 50739 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50739 _Assembly.ID 1 _Assembly.Name '+7K+12D Modified variant of the Intrinsically Disordered Low Complexity Domain of human hnRNPA1' _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 14229 _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 'Low complexity domain (LCD)' 1 $entity_1 . . yes native no no . . . 50739 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50739 _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 ; GSMASADSSQRDRDDKGNFG DGRGGGFGGNDNFGRGGNFS DRGGFGGSRGDGKYGGDGDK YNGFGNDGKNFGGGGSYNDF GNYNNQSSNFDPMKGGNFKD RSSGPYDKGGQYFAKPRNQG GYGGSSSSKSYGSDRRF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'G1 to F137' _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 137 _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 . 50739 1 2 . SER . 50739 1 3 . MET . 50739 1 4 . ALA . 50739 1 5 . SER . 50739 1 6 . ALA . 50739 1 7 . ASP . 50739 1 8 . SER . 50739 1 9 . SER . 50739 1 10 . GLN . 50739 1 11 . ARG . 50739 1 12 . ASP . 50739 1 13 . ARG . 50739 1 14 . ASP . 50739 1 15 . ASP . 50739 1 16 . LYS . 50739 1 17 . GLY . 50739 1 18 . ASN . 50739 1 19 . PHE . 50739 1 20 . GLY . 50739 1 21 . ASP . 50739 1 22 . GLY . 50739 1 23 . ARG . 50739 1 24 . GLY . 50739 1 25 . GLY . 50739 1 26 . GLY . 50739 1 27 . PHE . 50739 1 28 . GLY . 50739 1 29 . GLY . 50739 1 30 . ASN . 50739 1 31 . ASP . 50739 1 32 . ASN . 50739 1 33 . PHE . 50739 1 34 . GLY . 50739 1 35 . ARG . 50739 1 36 . GLY . 50739 1 37 . GLY . 50739 1 38 . ASN . 50739 1 39 . PHE . 50739 1 40 . SER . 50739 1 41 . ASP . 50739 1 42 . ARG . 50739 1 43 . GLY . 50739 1 44 . GLY . 50739 1 45 . PHE . 50739 1 46 . GLY . 50739 1 47 . GLY . 50739 1 48 . SER . 50739 1 49 . ARG . 50739 1 50 . GLY . 50739 1 51 . ASP . 50739 1 52 . GLY . 50739 1 53 . LYS . 50739 1 54 . TYR . 50739 1 55 . GLY . 50739 1 56 . GLY . 50739 1 57 . ASP . 50739 1 58 . GLY . 50739 1 59 . ASP . 50739 1 60 . LYS . 50739 1 61 . TYR . 50739 1 62 . ASN . 50739 1 63 . GLY . 50739 1 64 . PHE . 50739 1 65 . GLY . 50739 1 66 . ASN . 50739 1 67 . ASP . 50739 1 68 . GLY . 50739 1 69 . LYS . 50739 1 70 . ASN . 50739 1 71 . PHE . 50739 1 72 . GLY . 50739 1 73 . GLY . 50739 1 74 . GLY . 50739 1 75 . GLY . 50739 1 76 . SER . 50739 1 77 . TYR . 50739 1 78 . ASN . 50739 1 79 . ASP . 50739 1 80 . PHE . 50739 1 81 . GLY . 50739 1 82 . ASN . 50739 1 83 . TYR . 50739 1 84 . ASN . 50739 1 85 . ASN . 50739 1 86 . GLN . 50739 1 87 . SER . 50739 1 88 . SER . 50739 1 89 . ASN . 50739 1 90 . PHE . 50739 1 91 . ASP . 50739 1 92 . PRO . 50739 1 93 . MET . 50739 1 94 . LYS . 50739 1 95 . GLY . 50739 1 96 . GLY . 50739 1 97 . ASN . 50739 1 98 . PHE . 50739 1 99 . LYS . 50739 1 100 . ASP . 50739 1 101 . ARG . 50739 1 102 . SER . 50739 1 103 . SER . 50739 1 104 . GLY . 50739 1 105 . PRO . 50739 1 106 . TYR . 50739 1 107 . ASP . 50739 1 108 . LYS . 50739 1 109 . GLY . 50739 1 110 . GLY . 50739 1 111 . GLN . 50739 1 112 . TYR . 50739 1 113 . PHE . 50739 1 114 . ALA . 50739 1 115 . LYS . 50739 1 116 . PRO . 50739 1 117 . ARG . 50739 1 118 . ASN . 50739 1 119 . GLN . 50739 1 120 . GLY . 50739 1 121 . GLY . 50739 1 122 . TYR . 50739 1 123 . GLY . 50739 1 124 . GLY . 50739 1 125 . SER . 50739 1 126 . SER . 50739 1 127 . SER . 50739 1 128 . SER . 50739 1 129 . LYS . 50739 1 130 . SER . 50739 1 131 . TYR . 50739 1 132 . GLY . 50739 1 133 . SER . 50739 1 134 . ASP . 50739 1 135 . ARG . 50739 1 136 . ARG . 50739 1 137 . PHE . 50739 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 50739 1 . SER 2 2 50739 1 . MET 3 3 50739 1 . ALA 4 4 50739 1 . SER 5 5 50739 1 . ALA 6 6 50739 1 . ASP 7 7 50739 1 . SER 8 8 50739 1 . SER 9 9 50739 1 . GLN 10 10 50739 1 . ARG 11 11 50739 1 . ASP 12 12 50739 1 . ARG 13 13 50739 1 . ASP 14 14 50739 1 . ASP 15 15 50739 1 . LYS 16 16 50739 1 . GLY 17 17 50739 1 . ASN 18 18 50739 1 . PHE 19 19 50739 1 . GLY 20 20 50739 1 . ASP 21 21 50739 1 . GLY 22 22 50739 1 . ARG 23 23 50739 1 . GLY 24 24 50739 1 . GLY 25 25 50739 1 . GLY 26 26 50739 1 . PHE 27 27 50739 1 . GLY 28 28 50739 1 . GLY 29 29 50739 1 . ASN 30 30 50739 1 . ASP 31 31 50739 1 . ASN 32 32 50739 1 . PHE 33 33 50739 1 . GLY 34 34 50739 1 . ARG 35 35 50739 1 . GLY 36 36 50739 1 . GLY 37 37 50739 1 . ASN 38 38 50739 1 . PHE 39 39 50739 1 . SER 40 40 50739 1 . ASP 41 41 50739 1 . ARG 42 42 50739 1 . GLY 43 43 50739 1 . GLY 44 44 50739 1 . PHE 45 45 50739 1 . GLY 46 46 50739 1 . GLY 47 47 50739 1 . SER 48 48 50739 1 . ARG 49 49 50739 1 . GLY 50 50 50739 1 . ASP 51 51 50739 1 . GLY 52 52 50739 1 . LYS 53 53 50739 1 . TYR 54 54 50739 1 . GLY 55 55 50739 1 . GLY 56 56 50739 1 . ASP 57 57 50739 1 . GLY 58 58 50739 1 . ASP 59 59 50739 1 . LYS 60 60 50739 1 . TYR 61 61 50739 1 . ASN 62 62 50739 1 . GLY 63 63 50739 1 . PHE 64 64 50739 1 . GLY 65 65 50739 1 . ASN 66 66 50739 1 . ASP 67 67 50739 1 . GLY 68 68 50739 1 . LYS 69 69 50739 1 . ASN 70 70 50739 1 . PHE 71 71 50739 1 . GLY 72 72 50739 1 . GLY 73 73 50739 1 . GLY 74 74 50739 1 . GLY 75 75 50739 1 . SER 76 76 50739 1 . TYR 77 77 50739 1 . ASN 78 78 50739 1 . ASP 79 79 50739 1 . PHE 80 80 50739 1 . GLY 81 81 50739 1 . ASN 82 82 50739 1 . TYR 83 83 50739 1 . ASN 84 84 50739 1 . ASN 85 85 50739 1 . GLN 86 86 50739 1 . SER 87 87 50739 1 . SER 88 88 50739 1 . ASN 89 89 50739 1 . PHE 90 90 50739 1 . ASP 91 91 50739 1 . PRO 92 92 50739 1 . MET 93 93 50739 1 . LYS 94 94 50739 1 . GLY 95 95 50739 1 . GLY 96 96 50739 1 . ASN 97 97 50739 1 . PHE 98 98 50739 1 . LYS 99 99 50739 1 . ASP 100 100 50739 1 . ARG 101 101 50739 1 . SER 102 102 50739 1 . SER 103 103 50739 1 . GLY 104 104 50739 1 . PRO 105 105 50739 1 . TYR 106 106 50739 1 . ASP 107 107 50739 1 . LYS 108 108 50739 1 . GLY 109 109 50739 1 . GLY 110 110 50739 1 . GLN 111 111 50739 1 . TYR 112 112 50739 1 . PHE 113 113 50739 1 . ALA 114 114 50739 1 . LYS 115 115 50739 1 . PRO 116 116 50739 1 . ARG 117 117 50739 1 . ASN 118 118 50739 1 . GLN 119 119 50739 1 . GLY 120 120 50739 1 . GLY 121 121 50739 1 . TYR 122 122 50739 1 . GLY 123 123 50739 1 . GLY 124 124 50739 1 . SER 125 125 50739 1 . SER 126 126 50739 1 . SER 127 127 50739 1 . SER 128 128 50739 1 . LYS 129 129 50739 1 . SER 130 130 50739 1 . TYR 131 131 50739 1 . GLY 132 132 50739 1 . SER 133 133 50739 1 . ASP 134 134 50739 1 . ARG 135 135 50739 1 . ARG 136 136 50739 1 . PHE 137 137 50739 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 50739 _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 . . . . . . . . . . . . . 50739 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 50739 _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 BL21(DE3) Gold . plasmid . . pDest17 . . . 50739 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50739 _Sample.ID 1 _Sample.Name '+7K+12D hnRNPA1 LCD.' _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.100 to 0.215mM Protein, 20mM HEPES pH 6.8, 150mM NaCl, collected at 20 C' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '+7K+12D hnRNPA1 LCD' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 157.5 100 215 uM . . . . 50739 1 2 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 50739 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 50739 1 4 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50739 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50739 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 50739 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Assignment Conditions' _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 pH 6.8 . pH 50739 1 pressure 1 . atm 50739 1 temperature 293 . K 50739 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50739 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50739 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50739 _Software.ID 2 _Software.Type . _Software.Name NMRViewJ _Software.Version 9.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50739 2 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 50739 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 800' _NMR_spectrometer.Details 'Equipped with TCI triple-resonance cryogenic probes and pulse-field gradient unit' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50739 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50739 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50739 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50739 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50739 1 5 '3D NH(CA)NNH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50739 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 50739 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Referenced to 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 . . . . . 50739 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50739 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50739 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 50739 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 7K12DA1LCD _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 HNCACB' . . . 50739 1 3 '3D HNCO' . . . 50739 1 4 '3D HN(CA)CO' . . . 50739 1 5 '3D NH(CA)NNH' . . . 50739 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 2 $software_2 . . 50739 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 2 2 SER C C 13 174.6524 0.218 . 1 . . . . . 2 SER C . 50739 1 2 . 1 . 1 2 2 SER CA C 13 58.2335 0.281 . 1 . . . . . 2 SER CA . 50739 1 3 . 1 . 1 2 2 SER CB C 13 64.0207 0.281 . 1 . . . . . 2 SER CB . 50739 1 4 . 1 . 1 3 3 MET H H 1 8.6108 0.012 . 1 . . . . . 3 MET H . 50739 1 5 . 1 . 1 3 3 MET CA C 13 55.607 0.281 . 1 . . . . . 3 MET CA . 50739 1 6 . 1 . 1 3 3 MET CB C 13 32.8213 0.281 . 1 . . . . . 3 MET CB . 50739 1 7 . 1 . 1 3 3 MET N N 15 122.5257 0.039 . 1 . . . . . 3 MET N . 50739 1 8 . 1 . 1 4 4 ALA H H 1 8.424 0.012 . 1 . . . . . 4 ALA H . 50739 1 9 . 1 . 1 4 4 ALA C C 13 177.8129 0.218 . 1 . . . . . 4 ALA C . 50739 1 10 . 1 . 1 4 4 ALA CA C 13 52.7321 0.281 . 1 . . . . . 4 ALA CA . 50739 1 11 . 1 . 1 4 4 ALA CB C 13 19.196 0.281 . 1 . . . . . 4 ALA CB . 50739 1 12 . 1 . 1 4 4 ALA N N 15 125.5337 0.039 . 1 . . . . . 4 ALA N . 50739 1 13 . 1 . 1 5 5 SER H H 1 8.3189 0.012 . 1 . . . . . 5 SER H . 50739 1 14 . 1 . 1 5 5 SER C C 13 176.7523 0.218 . 1 . . . . . 5 SER C . 50739 1 15 . 1 . 1 5 5 SER CA C 13 58.2914 0.281 . 1 . . . . . 5 SER CA . 50739 1 16 . 1 . 1 5 5 SER CB C 13 63.903 0.281 . 1 . . . . . 5 SER CB . 50739 1 17 . 1 . 1 5 5 SER N N 15 115.1869 0.039 . 1 . . . . . 5 SER N . 50739 1 18 . 1 . 1 6 6 ALA H H 1 8.4233 0.012 . 1 . . . . . 6 ALA H . 50739 1 19 . 1 . 1 6 6 ALA C C 13 176.6056 0.218 . 1 . . . . . 6 ALA C . 50739 1 20 . 1 . 1 6 6 ALA CA C 13 52.9345 0.281 . 1 . . . . . 6 ALA CA . 50739 1 21 . 1 . 1 6 6 ALA CB C 13 19.1798 0.281 . 1 . . . . . 6 ALA CB . 50739 1 22 . 1 . 1 6 6 ALA N N 15 125.9289 0.039 . 1 . . . . . 6 ALA N . 50739 1 23 . 1 . 1 7 7 ASP H H 1 8.276 0.012 . 1 . . . . . 7 ASP H . 50739 1 24 . 1 . 1 7 7 ASP C C 13 176.7645 0.218 . 1 . . . . . 7 ASP C . 50739 1 25 . 1 . 1 7 7 ASP CA C 13 54.3178 0.281 . 1 . . . . . 7 ASP CA . 50739 1 26 . 1 . 1 7 7 ASP CB C 13 41.2665 0.281 . 1 . . . . . 7 ASP CB . 50739 1 27 . 1 . 1 7 7 ASP N N 15 119.1439 0.039 . 1 . . . . . 7 ASP N . 50739 1 28 . 1 . 1 8 8 SER H H 1 8.3581 0.012 . 1 . . . . . 8 SER H . 50739 1 29 . 1 . 1 8 8 SER C C 13 175.1073 0.218 . 1 . . . . . 8 SER C . 50739 1 30 . 1 . 1 8 8 SER CA C 13 59.362 0.281 . 1 . . . . . 8 SER CA . 50739 1 31 . 1 . 1 8 8 SER CB C 13 63.6488 0.281 . 1 . . . . . 8 SER CB . 50739 1 32 . 1 . 1 8 8 SER N N 15 117.0822 0.039 . 1 . . . . . 8 SER N . 50739 1 33 . 1 . 1 9 9 SER H H 1 8.443 0.012 . 1 . . . . . 9 SER H . 50739 1 34 . 1 . 1 9 9 SER C C 13 174.8519 0.218 . 1 . . . . . 9 SER C . 50739 1 35 . 1 . 1 9 9 SER CA C 13 59.4166 0.281 . 1 . . . . . 9 SER CA . 50739 1 36 . 1 . 1 9 9 SER CB C 13 63.9328 0.281 . 1 . . . . . 9 SER CB . 50739 1 37 . 1 . 1 9 9 SER N N 15 117.8619 0.039 . 1 . . . . . 9 SER N . 50739 1 38 . 1 . 1 10 10 GLN H H 1 8.2599 0.012 . 1 . . . . . 10 GLN H . 50739 1 39 . 1 . 1 10 10 GLN C C 13 176.1137 0.218 . 1 . . . . . 10 GLN C . 50739 1 40 . 1 . 1 10 10 GLN CA C 13 56.3737 0.281 . 1 . . . . . 10 GLN CA . 50739 1 41 . 1 . 1 10 10 GLN CB C 13 28.9972 0.281 . 1 . . . . . 10 GLN CB . 50739 1 42 . 1 . 1 10 10 GLN N N 15 121.5595 0.039 . 1 . . . . . 10 GLN N . 50739 1 43 . 1 . 1 11 11 ARG H H 1 8.2128 0.012 . 1 . . . . . 11 ARG H . 50739 1 44 . 1 . 1 11 11 ARG C C 13 176.2911 0.218 . 1 . . . . . 11 ARG C . 50739 1 45 . 1 . 1 11 11 ARG CA C 13 56.1366 0.281 . 1 . . . . . 11 ARG CA . 50739 1 46 . 1 . 1 11 11 ARG CB C 13 30.644 0.281 . 1 . . . . . 11 ARG CB . 50739 1 47 . 1 . 1 11 11 ARG N N 15 121.5105 0.039 . 1 . . . . . 11 ARG N . 50739 1 48 . 1 . 1 12 12 ASP H H 1 8.4008 0.012 . 1 . . . . . 12 ASP H . 50739 1 49 . 1 . 1 12 12 ASP C C 13 176.3968 0.218 . 1 . . . . . 12 ASP C . 50739 1 50 . 1 . 1 12 12 ASP CA C 13 54.7774 0.281 . 1 . . . . . 12 ASP CA . 50739 1 51 . 1 . 1 12 12 ASP CB C 13 41.143 0.281 . 1 . . . . . 12 ASP CB . 50739 1 52 . 1 . 1 12 12 ASP N N 15 120.8423 0.039 . 1 . . . . . 12 ASP N . 50739 1 53 . 1 . 1 13 13 ARG H H 1 8.1968 0.012 . 1 . . . . . 13 ARG H . 50739 1 54 . 1 . 1 13 13 ARG C C 13 176.3078 0.218 . 1 . . . . . 13 ARG C . 50739 1 55 . 1 . 1 13 13 ARG CA C 13 56.5081 0.281 . 1 . . . . . 13 ARG CA . 50739 1 56 . 1 . 1 13 13 ARG CB C 13 30.9544 0.281 . 1 . . . . . 13 ARG CB . 50739 1 57 . 1 . 1 13 13 ARG N N 15 120.5479 0.039 . 1 . . . . . 13 ARG N . 50739 1 58 . 1 . 1 14 14 ASP H H 1 8.4017 0.012 . 1 . . . . . 14 ASP H . 50739 1 59 . 1 . 1 14 14 ASP C C 13 176.178 0.218 . 1 . . . . . 14 ASP C . 50739 1 60 . 1 . 1 14 14 ASP CA C 13 54.5467 0.281 . 1 . . . . . 14 ASP CA . 50739 1 61 . 1 . 1 14 14 ASP CB C 13 41.1374 0.281 . 1 . . . . . 14 ASP CB . 50739 1 62 . 1 . 1 14 14 ASP N N 15 121.0567 0.039 . 1 . . . . . 14 ASP N . 50739 1 63 . 1 . 1 15 15 ASP H H 1 8.2806 0.012 . 1 . . . . . 15 ASP H . 50739 1 64 . 1 . 1 15 15 ASP C C 13 176.725 0.218 . 1 . . . . . 15 ASP C . 50739 1 65 . 1 . 1 15 15 ASP CA C 13 56.4916 0.281 . 1 . . . . . 15 ASP CA . 50739 1 66 . 1 . 1 15 15 ASP CB C 13 40.9683 0.281 . 1 . . . . . 15 ASP CB . 50739 1 67 . 1 . 1 15 15 ASP N N 15 120.5896 0.039 . 1 . . . . . 15 ASP N . 50739 1 68 . 1 . 1 16 16 LYS H H 1 8.3081 0.012 . 1 . . . . . 16 LYS H . 50739 1 69 . 1 . 1 16 16 LYS C C 13 175.3739 0.218 . 1 . . . . . 16 LYS C . 50739 1 70 . 1 . 1 16 16 LYS CA C 13 56.6605 0.281 . 1 . . . . . 16 LYS CA . 50739 1 71 . 1 . 1 16 16 LYS CB C 13 32.5332 0.281 . 1 . . . . . 16 LYS CB . 50739 1 72 . 1 . 1 16 16 LYS N N 15 121.0689 0.039 . 1 . . . . . 16 LYS N . 50739 1 73 . 1 . 1 17 17 GLY H H 1 8.3616 0.012 . 1 . . . . . 17 GLY H . 50739 1 74 . 1 . 1 17 17 GLY C C 13 173.8614 0.218 . 1 . . . . . 17 GLY C . 50739 1 75 . 1 . 1 17 17 GLY CA C 13 45.46 0.281 . 1 . . . . . 17 GLY CA . 50739 1 76 . 1 . 1 17 17 GLY N N 15 108.5662 0.039 . 1 . . . . . 17 GLY N . 50739 1 77 . 1 . 1 18 18 ASN H H 1 8.222 0.012 . 1 . . . . . 18 ASN H . 50739 1 78 . 1 . 1 18 18 ASN C C 13 175.0846 0.218 . 1 . . . . . 18 ASN C . 50739 1 79 . 1 . 1 18 18 ASN CA C 13 53.071 0.281 . 1 . . . . . 18 ASN CA . 50739 1 80 . 1 . 1 18 18 ASN CB C 13 38.848 0.281 . 1 . . . . . 18 ASN CB . 50739 1 81 . 1 . 1 18 18 ASN N N 15 118.49 0.039 . 1 . . . . . 18 ASN N . 50739 1 82 . 1 . 1 19 19 PHE H H 1 8.342 0.012 . 1 . . . . . 19 PHE H . 50739 1 83 . 1 . 1 19 19 PHE CA C 13 57.2798 0.281 . 1 . . . . . 19 PHE CA . 50739 1 84 . 1 . 1 19 19 PHE CB C 13 39.4978 0.281 . 1 . . . . . 19 PHE CB . 50739 1 85 . 1 . 1 19 19 PHE N N 15 120.4405 0.039 . 1 . . . . . 19 PHE N . 50739 1 86 . 1 . 1 20 20 GLY H H 1 8.3919 0.012 . 1 . . . . . 20 GLY H . 50739 1 87 . 1 . 1 20 20 GLY C C 13 174.0517 0.218 . 1 . . . . . 20 GLY C . 50739 1 88 . 1 . 1 20 20 GLY CA C 13 45.5313 0.281 . 1 . . . . . 20 GLY CA . 50739 1 89 . 1 . 1 20 20 GLY N N 15 110.0741 0.039 . 1 . . . . . 20 GLY N . 50739 1 90 . 1 . 1 21 21 ASP H H 1 8.2392 0.012 . 1 . . . . . 21 ASP H . 50739 1 91 . 1 . 1 21 21 ASP C C 13 177.1475 0.218 . 1 . . . . . 21 ASP C . 50739 1 92 . 1 . 1 21 21 ASP CA C 13 54.2625 0.281 . 1 . . . . . 21 ASP CA . 50739 1 93 . 1 . 1 21 21 ASP CB C 13 41.1171 0.281 . 1 . . . . . 21 ASP CB . 50739 1 94 . 1 . 1 21 21 ASP N N 15 120.3513 0.039 . 1 . . . . . 21 ASP N . 50739 1 95 . 1 . 1 22 22 GLY H H 1 8.4769 0.012 . 1 . . . . . 22 GLY H . 50739 1 96 . 1 . 1 22 22 GLY C C 13 174.84 0.218 . 1 . . . . . 22 GLY C . 50739 1 97 . 1 . 1 22 22 GLY CA C 13 45.5142 0.281 . 1 . . . . . 22 GLY CA . 50739 1 98 . 1 . 1 22 22 GLY N N 15 109.1216 0.039 . 1 . . . . . 22 GLY N . 50739 1 99 . 1 . 1 23 23 ARG H H 1 8.2372 0.012 . 1 . . . . . 23 ARG H . 50739 1 100 . 1 . 1 23 23 ARG C C 13 177.0681 0.218 . 1 . . . . . 23 ARG C . 50739 1 101 . 1 . 1 23 23 ARG CA C 13 56.4177 0.281 . 1 . . . . . 23 ARG CA . 50739 1 102 . 1 . 1 23 23 ARG CB C 13 30.5683 0.281 . 1 . . . . . 23 ARG CB . 50739 1 103 . 1 . 1 23 23 ARG N N 15 119.8704 0.039 . 1 . . . . . 23 ARG N . 50739 1 104 . 1 . 1 24 24 GLY H H 1 8.519 0.012 . 1 . . . . . 24 GLY H . 50739 1 105 . 1 . 1 24 24 GLY C C 13 174.7925 0.218 . 1 . . . . . 24 GLY C . 50739 1 106 . 1 . 1 24 24 GLY CA C 13 45.3546 0.281 . 1 . . . . . 24 GLY CA . 50739 1 107 . 1 . 1 24 24 GLY N N 15 109.5243 0.039 . 1 . . . . . 24 GLY N . 50739 1 108 . 1 . 1 25 25 GLY H H 1 8.3642 0.012 . 1 . . . . . 25 GLY H . 50739 1 109 . 1 . 1 25 25 GLY C C 13 174.5901 0.218 . 1 . . . . . 25 GLY C . 50739 1 110 . 1 . 1 25 25 GLY CA C 13 45.4299 0.281 . 1 . . . . . 25 GLY CA . 50739 1 111 . 1 . 1 25 25 GLY N N 15 108.8077 0.039 . 1 . . . . . 25 GLY N . 50739 1 112 . 1 . 1 26 26 GLY H H 1 8.2378 0.012 . 1 . . . . . 26 GLY H . 50739 1 113 . 1 . 1 26 26 GLY C C 13 173.7794 0.218 . 1 . . . . . 26 GLY C . 50739 1 114 . 1 . 1 26 26 GLY CA C 13 45.3196 0.281 . 1 . . . . . 26 GLY CA . 50739 1 115 . 1 . 1 26 26 GLY N N 15 108.2367 0.039 . 1 . . . . . 26 GLY N . 50739 1 116 . 1 . 1 27 27 PHE H H 1 8.2405 0.012 . 1 . . . . . 27 PHE H . 50739 1 117 . 1 . 1 27 27 PHE CA C 13 58.1749 0.281 . 1 . . . . . 27 PHE CA . 50739 1 118 . 1 . 1 27 27 PHE CB C 13 39.5503 0.281 . 1 . . . . . 27 PHE CB . 50739 1 119 . 1 . 1 27 27 PHE N N 15 119.982 0.039 . 1 . . . . . 27 PHE N . 50739 1 120 . 1 . 1 28 28 GLY H H 1 8.5062 0.012 . 1 . . . . . 28 GLY H . 50739 1 121 . 1 . 1 28 28 GLY C C 13 174.6539 0.218 . 1 . . . . . 28 GLY C . 50739 1 122 . 1 . 1 28 28 GLY CA C 13 45.4224 0.281 . 1 . . . . . 28 GLY CA . 50739 1 123 . 1 . 1 28 28 GLY N N 15 110.9257 0.039 . 1 . . . . . 28 GLY N . 50739 1 124 . 1 . 1 29 29 GLY H H 1 8.0197 0.012 . 1 . . . . . 29 GLY H . 50739 1 125 . 1 . 1 29 29 GLY C C 13 174.0259 0.218 . 1 . . . . . 29 GLY C . 50739 1 126 . 1 . 1 29 29 GLY CA C 13 45.3124 0.281 . 1 . . . . . 29 GLY CA . 50739 1 127 . 1 . 1 29 29 GLY N N 15 108.2089 0.039 . 1 . . . . . 29 GLY N . 50739 1 128 . 1 . 1 30 30 ASN H H 1 8.3745 0.012 . 1 . . . . . 30 ASN H . 50739 1 129 . 1 . 1 30 30 ASN C C 13 175.103 0.218 . 1 . . . . . 30 ASN C . 50739 1 130 . 1 . 1 30 30 ASN CA C 13 53.2682 0.281 . 1 . . . . . 30 ASN CA . 50739 1 131 . 1 . 1 30 30 ASN CB C 13 39.0483 0.281 . 1 . . . . . 30 ASN CB . 50739 1 132 . 1 . 1 30 30 ASN N N 15 118.3795 0.039 . 1 . . . . . 30 ASN N . 50739 1 133 . 1 . 1 31 31 ASP H H 1 8.3574 0.012 . 1 . . . . . 31 ASP H . 50739 1 134 . 1 . 1 31 31 ASP C C 13 176.0649 0.218 . 1 . . . . . 31 ASP C . 50739 1 135 . 1 . 1 31 31 ASP CA C 13 54.5012 0.281 . 1 . . . . . 31 ASP CA . 50739 1 136 . 1 . 1 31 31 ASP CB C 13 41.0575 0.281 . 1 . . . . . 31 ASP CB . 50739 1 137 . 1 . 1 31 31 ASP N N 15 120.3687 0.039 . 1 . . . . . 31 ASP N . 50739 1 138 . 1 . 1 32 32 ASN H H 1 8.3239 0.012 . 1 . . . . . 32 ASN H . 50739 1 139 . 1 . 1 32 32 ASN C C 13 175.3204 0.218 . 1 . . . . . 32 ASN C . 50739 1 140 . 1 . 1 32 32 ASN CA C 13 53.4543 0.281 . 1 . . . . . 32 ASN CA . 50739 1 141 . 1 . 1 32 32 ASN CB C 13 38.6733 0.281 . 1 . . . . . 32 ASN CB . 50739 1 142 . 1 . 1 32 32 ASN N N 15 118.2543 0.039 . 1 . . . . . 32 ASN N . 50739 1 143 . 1 . 1 33 33 PHE H H 1 8.2365 0.012 . 1 . . . . . 33 PHE H . 50739 1 144 . 1 . 1 33 33 PHE CA C 13 58.4719 0.281 . 1 . . . . . 33 PHE CA . 50739 1 145 . 1 . 1 33 33 PHE CB C 13 38.9986 0.281 . 1 . . . . . 33 PHE CB . 50739 1 146 . 1 . 1 33 33 PHE N N 15 119.6371 0.039 . 1 . . . . . 33 PHE N . 50739 1 147 . 1 . 1 34 34 GLY H H 1 8.2965 0.012 . 1 . . . . . 34 GLY H . 50739 1 148 . 1 . 1 34 34 GLY C C 13 174.4331 0.218 . 1 . . . . . 34 GLY C . 50739 1 149 . 1 . 1 34 34 GLY CA C 13 45.5832 0.281 . 1 . . . . . 34 GLY CA . 50739 1 150 . 1 . 1 34 34 GLY N N 15 109.7647 0.039 . 1 . . . . . 34 GLY N . 50739 1 151 . 1 . 1 35 35 ARG H H 1 8.1435 0.012 . 1 . . . . . 35 ARG H . 50739 1 152 . 1 . 1 35 35 ARG C C 13 177.0067 0.218 . 1 . . . . . 35 ARG C . 50739 1 153 . 1 . 1 35 35 ARG CA C 13 56.3016 0.281 . 1 . . . . . 35 ARG CA . 50739 1 154 . 1 . 1 35 35 ARG CB C 13 30.4832 0.281 . 1 . . . . . 35 ARG CB . 50739 1 155 . 1 . 1 35 35 ARG N N 15 120.1491 0.039 . 1 . . . . . 35 ARG N . 50739 1 156 . 1 . 1 36 36 GLY H H 1 8.4102 0.012 . 1 . . . . . 36 GLY H . 50739 1 157 . 1 . 1 36 36 GLY C C 13 174.623 0.218 . 1 . . . . . 36 GLY C . 50739 1 158 . 1 . 1 36 36 GLY CA C 13 45.5472 0.281 . 1 . . . . . 36 GLY CA . 50739 1 159 . 1 . 1 36 36 GLY N N 15 108.975 0.039 . 1 . . . . . 36 GLY N . 50739 1 160 . 1 . 1 37 37 GLY H H 1 8.2719 0.012 . 1 . . . . . 37 GLY H . 50739 1 161 . 1 . 1 37 37 GLY C C 13 174.0736 0.218 . 1 . . . . . 37 GLY C . 50739 1 162 . 1 . 1 37 37 GLY CA C 13 45.3354 0.281 . 1 . . . . . 37 GLY CA . 50739 1 163 . 1 . 1 37 37 GLY N N 15 108.3769 0.039 . 1 . . . . . 37 GLY N . 50739 1 164 . 1 . 1 38 38 ASN H H 1 8.3312 0.012 . 1 . . . . . 38 ASN H . 50739 1 165 . 1 . 1 38 38 ASN C C 13 175.1168 0.218 . 1 . . . . . 38 ASN C . 50739 1 166 . 1 . 1 38 38 ASN CA C 13 53.2963 0.281 . 1 . . . . . 38 ASN CA . 50739 1 167 . 1 . 1 38 38 ASN CB C 13 38.9477 0.281 . 1 . . . . . 38 ASN CB . 50739 1 168 . 1 . 1 38 38 ASN N N 15 118.4748 0.039 . 1 . . . . . 38 ASN N . 50739 1 169 . 1 . 1 39 39 PHE H H 1 8.2866 0.012 . 1 . . . . . 39 PHE H . 50739 1 170 . 1 . 1 39 39 PHE CA C 13 58.0405 0.281 . 1 . . . . . 39 PHE CA . 50739 1 171 . 1 . 1 39 39 PHE CB C 13 39.3322 0.281 . 1 . . . . . 39 PHE CB . 50739 1 172 . 1 . 1 39 39 PHE N N 15 120.7289 0.039 . 1 . . . . . 39 PHE N . 50739 1 173 . 1 . 1 40 40 SER H H 1 8.207 0.012 . 1 . . . . . 40 SER H . 50739 1 174 . 1 . 1 40 40 SER C C 13 174.2306 0.218 . 1 . . . . . 40 SER C . 50739 1 175 . 1 . 1 40 40 SER CA C 13 58.6287 0.281 . 1 . . . . . 40 SER CA . 50739 1 176 . 1 . 1 40 40 SER CB C 13 63.9288 0.281 . 1 . . . . . 40 SER CB . 50739 1 177 . 1 . 1 40 40 SER N N 15 116.3827 0.039 . 1 . . . . . 40 SER N . 50739 1 178 . 1 . 1 41 41 ASP H H 1 8.3069 0.012 . 1 . . . . . 41 ASP H . 50739 1 179 . 1 . 1 41 41 ASP C C 13 176.4853 0.218 . 1 . . . . . 41 ASP C . 50739 1 180 . 1 . 1 41 41 ASP CA C 13 54.4744 0.281 . 1 . . . . . 41 ASP CA . 50739 1 181 . 1 . 1 41 41 ASP CB C 13 41.0563 0.281 . 1 . . . . . 41 ASP CB . 50739 1 182 . 1 . 1 41 41 ASP N N 15 122.138 0.039 . 1 . . . . . 41 ASP N . 50739 1 183 . 1 . 1 42 42 ARG H H 1 8.2588 0.012 . 1 . . . . . 42 ARG H . 50739 1 184 . 1 . 1 42 42 ARG C C 13 176.9939 0.218 . 1 . . . . . 42 ARG C . 50739 1 185 . 1 . 1 42 42 ARG CA C 13 56.3716 0.281 . 1 . . . . . 42 ARG CA . 50739 1 186 . 1 . 1 42 42 ARG CB C 13 30.569 0.281 . 1 . . . . . 42 ARG CB . 50739 1 187 . 1 . 1 42 42 ARG N N 15 120.8322 0.039 . 1 . . . . . 42 ARG N . 50739 1 188 . 1 . 1 43 43 GLY H H 1 8.3833 0.012 . 1 . . . . . 43 GLY H . 50739 1 189 . 1 . 1 43 43 GLY C C 13 173.9908 0.218 . 1 . . . . . 43 GLY C . 50739 1 190 . 1 . 1 43 43 GLY CA C 13 45.4704 0.281 . 1 . . . . . 43 GLY CA . 50739 1 191 . 1 . 1 43 43 GLY N N 15 109.4936 0.039 . 1 . . . . . 43 GLY N . 50739 1 192 . 1 . 1 44 44 GLY H H 1 8.1654 0.012 . 1 . . . . . 44 GLY H . 50739 1 193 . 1 . 1 44 44 GLY CA C 13 45.2112 0.281 . 1 . . . . . 44 GLY CA . 50739 1 194 . 1 . 1 44 44 GLY N N 15 108.2817 0.039 . 1 . . . . . 44 GLY N . 50739 1 195 . 1 . 1 46 46 GLY C C 13 174.6584 0.218 . 1 . . . . . 46 GLY C . 50739 1 196 . 1 . 1 46 46 GLY CA C 13 45.4139 0.281 . 1 . . . . . 46 GLY CA . 50739 1 197 . 1 . 1 47 47 GLY H H 1 8.003 0.012 . 1 . . . . . 47 GLY H . 50739 1 198 . 1 . 1 47 47 GLY C C 13 174.3018 0.218 . 1 . . . . . 47 GLY C . 50739 1 199 . 1 . 1 47 47 GLY CA C 13 45.2675 0.281 . 1 . . . . . 47 GLY CA . 50739 1 200 . 1 . 1 47 47 GLY N N 15 108.3819 0.039 . 1 . . . . . 47 GLY N . 50739 1 201 . 1 . 1 48 48 SER H H 1 8.3223 0.012 . 1 . . . . . 48 SER H . 50739 1 202 . 1 . 1 48 48 SER C C 13 174.8259 0.218 . 1 . . . . . 48 SER C . 50739 1 203 . 1 . 1 48 48 SER CA C 13 58.605 0.281 . 1 . . . . . 48 SER CA . 50739 1 204 . 1 . 1 48 48 SER CB C 13 64.0232 0.281 . 1 . . . . . 48 SER CB . 50739 1 205 . 1 . 1 48 48 SER N N 15 115.7083 0.039 . 1 . . . . . 48 SER N . 50739 1 206 . 1 . 1 49 49 ARG H H 1 8.4898 0.012 . 1 . . . . . 49 ARG H . 50739 1 207 . 1 . 1 49 49 ARG C C 13 177.0068 0.218 . 1 . . . . . 49 ARG C . 50739 1 208 . 1 . 1 49 49 ARG CA C 13 56.302 0.281 . 1 . . . . . 49 ARG CA . 50739 1 209 . 1 . 1 49 49 ARG CB C 13 30.7768 0.281 . 1 . . . . . 49 ARG CB . 50739 1 210 . 1 . 1 49 49 ARG N N 15 122.4337 0.039 . 1 . . . . . 49 ARG N . 50739 1 211 . 1 . 1 50 50 GLY H H 1 8.5053 0.012 . 1 . . . . . 50 GLY H . 50739 1 212 . 1 . 1 50 50 GLY C C 13 174.577 0.218 . 1 . . . . . 50 GLY C . 50739 1 213 . 1 . 1 50 50 GLY CA C 13 45.6649 0.281 . 1 . . . . . 50 GLY CA . 50739 1 214 . 1 . 1 50 50 GLY N N 15 109.5615 0.039 . 1 . . . . . 50 GLY N . 50739 1 215 . 1 . 1 51 51 ASP H H 1 8.2338 0.012 . 1 . . . . . 51 ASP H . 50739 1 216 . 1 . 1 51 51 ASP C C 13 176.5781 0.218 . 1 . . . . . 51 ASP C . 50739 1 217 . 1 . 1 51 51 ASP CA C 13 54.1649 0.281 . 1 . . . . . 51 ASP CA . 50739 1 218 . 1 . 1 51 51 ASP CB C 13 41.2086 0.281 . 1 . . . . . 51 ASP CB . 50739 1 219 . 1 . 1 51 51 ASP N N 15 120.2017 0.039 . 1 . . . . . 51 ASP N . 50739 1 220 . 1 . 1 52 52 GLY H H 1 8.407 0.012 . 1 . . . . . 52 GLY H . 50739 1 221 . 1 . 1 52 52 GLY C C 13 174.2869 0.218 . 1 . . . . . 52 GLY C . 50739 1 222 . 1 . 1 52 52 GLY CA C 13 45.563 0.281 . 1 . . . . . 52 GLY CA . 50739 1 223 . 1 . 1 52 52 GLY N N 15 109.0548 0.039 . 1 . . . . . 52 GLY N . 50739 1 224 . 1 . 1 53 53 LYS H H 1 8.0951 0.012 . 1 . . . . . 53 LYS H . 50739 1 225 . 1 . 1 53 53 LYS CA C 13 56.6042 0.281 . 1 . . . . . 53 LYS CA . 50739 1 226 . 1 . 1 53 53 LYS CB C 13 32.8308 0.281 . 1 . . . . . 53 LYS CB . 50739 1 227 . 1 . 1 53 53 LYS N N 15 120.6827 0.039 . 1 . . . . . 53 LYS N . 50739 1 228 . 1 . 1 54 54 TYR H H 1 8.3467 0.012 . 1 . . . . . 54 TYR H . 50739 1 229 . 1 . 1 54 54 TYR C C 13 176.3914 0.218 . 1 . . . . . 54 TYR C . 50739 1 230 . 1 . 1 54 54 TYR CA C 13 57.8749 0.281 . 1 . . . . . 54 TYR CA . 50739 1 231 . 1 . 1 54 54 TYR CB C 13 38.6855 0.281 . 1 . . . . . 54 TYR CB . 50739 1 232 . 1 . 1 54 54 TYR N N 15 120.8474 0.039 . 1 . . . . . 54 TYR N . 50739 1 233 . 1 . 1 55 55 GLY H H 1 8.3776 0.012 . 1 . . . . . 55 GLY H . 50739 1 234 . 1 . 1 55 55 GLY C C 13 174.5815 0.218 . 1 . . . . . 55 GLY C . 50739 1 235 . 1 . 1 55 55 GLY CA C 13 45.3194 0.281 . 1 . . . . . 55 GLY CA . 50739 1 236 . 1 . 1 55 55 GLY N N 15 110.932 0.039 . 1 . . . . . 55 GLY N . 50739 1 237 . 1 . 1 56 56 GLY H H 1 7.9317 0.012 . 1 . . . . . 56 GLY H . 50739 1 238 . 1 . 1 56 56 GLY C C 13 174.0205 0.218 . 1 . . . . . 56 GLY C . 50739 1 239 . 1 . 1 56 56 GLY CA C 13 45.2959 0.281 . 1 . . . . . 56 GLY CA . 50739 1 240 . 1 . 1 56 56 GLY N N 15 108.3769 0.039 . 1 . . . . . 56 GLY N . 50739 1 241 . 1 . 1 57 57 ASP H H 1 8.3973 0.012 . 1 . . . . . 57 ASP H . 50739 1 242 . 1 . 1 57 57 ASP C C 13 176.9394 0.218 . 1 . . . . . 57 ASP C . 50739 1 243 . 1 . 1 57 57 ASP CA C 13 54.4913 0.281 . 1 . . . . . 57 ASP CA . 50739 1 244 . 1 . 1 57 57 ASP CB C 13 41.1511 0.281 . 1 . . . . . 57 ASP CB . 50739 1 245 . 1 . 1 57 57 ASP N N 15 120.0817 0.039 . 1 . . . . . 57 ASP N . 50739 1 246 . 1 . 1 58 58 GLY H H 1 8.3619 0.012 . 1 . . . . . 58 GLY H . 50739 1 247 . 1 . 1 58 58 GLY CA C 13 45.6651 0.281 . 1 . . . . . 58 GLY CA . 50739 1 248 . 1 . 1 58 58 GLY N N 15 108.6765 0.039 . 1 . . . . . 58 GLY N . 50739 1 249 . 1 . 1 59 59 ASP H H 1 8.2349 0.012 . 1 . . . . . 59 ASP H . 50739 1 250 . 1 . 1 59 59 ASP C C 13 176.5781 0.218 . 1 . . . . . 59 ASP C . 50739 1 251 . 1 . 1 59 59 ASP CA C 13 54.5293 0.281 . 1 . . . . . 59 ASP CA . 50739 1 252 . 1 . 1 59 59 ASP CB C 13 41.1631 0.281 . 1 . . . . . 59 ASP CB . 50739 1 253 . 1 . 1 59 59 ASP N N 15 119.8843 0.039 . 1 . . . . . 59 ASP N . 50739 1 254 . 1 . 1 60 60 LYS H H 1 8.1098 0.012 . 1 . . . . . 60 LYS H . 50739 1 255 . 1 . 1 60 60 LYS CA C 13 56.737 0.281 . 1 . . . . . 60 LYS CA . 50739 1 256 . 1 . 1 60 60 LYS CB C 13 32.8308 0.281 . 1 . . . . . 60 LYS CB . 50739 1 257 . 1 . 1 60 60 LYS N N 15 120.7165 0.039 . 1 . . . . . 60 LYS N . 50739 1 258 . 1 . 1 61 61 TYR H H 1 8.1976 0.012 . 1 . . . . . 61 TYR H . 50739 1 259 . 1 . 1 61 61 TYR C C 13 175.7031 0.218 . 1 . . . . . 61 TYR C . 50739 1 260 . 1 . 1 61 61 TYR N N 15 120.1611 0.039 . 1 . . . . . 61 TYR N . 50739 1 261 . 1 . 1 62 62 ASN H H 1 8.2325 0.012 . 1 . . . . . 62 ASN H . 50739 1 262 . 1 . 1 62 62 ASN C C 13 175.3657 0.218 . 1 . . . . . 62 ASN C . 50739 1 263 . 1 . 1 62 62 ASN CA C 13 53.115 0.281 . 1 . . . . . 62 ASN CA . 50739 1 264 . 1 . 1 62 62 ASN CB C 13 38.9359 0.281 . 1 . . . . . 62 ASN CB . 50739 1 265 . 1 . 1 62 62 ASN N N 15 120.7256 0.039 . 1 . . . . . 62 ASN N . 50739 1 266 . 1 . 1 63 63 GLY H H 1 7.8066 0.012 . 1 . . . . . 63 GLY H . 50739 1 267 . 1 . 1 63 63 GLY C C 13 173.9109 0.218 . 1 . . . . . 63 GLY C . 50739 1 268 . 1 . 1 63 63 GLY CA C 13 45.4142 0.281 . 1 . . . . . 63 GLY CA . 50739 1 269 . 1 . 1 63 63 GLY N N 15 108.2587 0.039 . 1 . . . . . 63 GLY N . 50739 1 270 . 1 . 1 64 64 PHE H H 1 8.118 0.012 . 1 . . . . . 64 PHE H . 50739 1 271 . 1 . 1 64 64 PHE CA C 13 58.0604 0.281 . 1 . . . . . 64 PHE CA . 50739 1 272 . 1 . 1 64 64 PHE CB C 13 39.5544 0.281 . 1 . . . . . 64 PHE CB . 50739 1 273 . 1 . 1 64 64 PHE N N 15 119.5048 0.039 . 1 . . . . . 64 PHE N . 50739 1 274 . 1 . 1 65 65 GLY H H 1 8.2047 0.012 . 1 . . . . . 65 GLY H . 50739 1 275 . 1 . 1 65 65 GLY C C 13 174.0922 0.218 . 1 . . . . . 65 GLY C . 50739 1 276 . 1 . 1 65 65 GLY CA C 13 45.2669 0.281 . 1 . . . . . 65 GLY CA . 50739 1 277 . 1 . 1 65 65 GLY N N 15 108.1217 0.039 . 1 . . . . . 65 GLY N . 50739 1 278 . 1 . 1 66 66 ASN H H 1 8.3425 0.012 . 1 . . . . . 66 ASN H . 50739 1 279 . 1 . 1 66 66 ASN C C 13 175.1764 0.218 . 1 . . . . . 66 ASN C . 50739 1 280 . 1 . 1 66 66 ASN CA C 13 53.3886 0.281 . 1 . . . . . 66 ASN CA . 50739 1 281 . 1 . 1 66 66 ASN CB C 13 38.953 0.281 . 1 . . . . . 66 ASN CB . 50739 1 282 . 1 . 1 66 66 ASN N N 15 118.5857 0.039 . 1 . . . . . 66 ASN N . 50739 1 283 . 1 . 1 67 67 ASP H H 1 8.3973 0.012 . 1 . . . . . 67 ASP H . 50739 1 284 . 1 . 1 67 67 ASP C C 13 176.9394 0.218 . 1 . . . . . 67 ASP C . 50739 1 285 . 1 . 1 67 67 ASP CA C 13 54.5474 0.281 . 1 . . . . . 67 ASP CA . 50739 1 286 . 1 . 1 67 67 ASP CB C 13 41.2012 0.281 . 1 . . . . . 67 ASP CB . 50739 1 287 . 1 . 1 67 67 ASP N N 15 120.0817 0.039 . 1 . . . . . 67 ASP N . 50739 1 288 . 1 . 1 68 68 GLY H H 1 8.4301 0.012 . 1 . . . . . 68 GLY H . 50739 1 289 . 1 . 1 68 68 GLY C C 13 174.1822 0.218 . 1 . . . . . 68 GLY C . 50739 1 290 . 1 . 1 68 68 GLY CA C 13 45.4022 0.281 . 1 . . . . . 68 GLY CA . 50739 1 291 . 1 . 1 68 68 GLY N N 15 108.9481 0.039 . 1 . . . . . 68 GLY N . 50739 1 292 . 1 . 1 69 69 LYS H H 1 8.071 0.012 . 1 . . . . . 69 LYS H . 50739 1 293 . 1 . 1 69 69 LYS CA C 13 56.5122 0.281 . 1 . . . . . 69 LYS CA . 50739 1 294 . 1 . 1 69 69 LYS CB C 13 32.83 0.281 . 1 . . . . . 69 LYS CB . 50739 1 295 . 1 . 1 69 69 LYS N N 15 120.2033 0.039 . 1 . . . . . 69 LYS N . 50739 1 296 . 1 . 1 70 70 ASN H H 1 8.3847 0.012 . 1 . . . . . 70 ASN H . 50739 1 297 . 1 . 1 70 70 ASN C C 13 174.9776 0.218 . 1 . . . . . 70 ASN C . 50739 1 298 . 1 . 1 70 70 ASN CA C 13 53.095 0.281 . 1 . . . . . 70 ASN CA . 50739 1 299 . 1 . 1 70 70 ASN CB C 13 38.8161 0.281 . 1 . . . . . 70 ASN CB . 50739 1 300 . 1 . 1 70 70 ASN N N 15 118.6636 0.039 . 1 . . . . . 70 ASN N . 50739 1 301 . 1 . 1 71 71 PHE H H 1 8.26 0.012 . 1 . . . . . 71 PHE H . 50739 1 302 . 1 . 1 71 71 PHE C C 13 176.398 0.218 . 1 . . . . . 71 PHE C . 50739 1 303 . 1 . 1 71 71 PHE CA C 13 58.1289 0.281 . 1 . . . . . 71 PHE CA . 50739 1 304 . 1 . 1 71 71 PHE CB C 13 39.2209 0.281 . 1 . . . . . 71 PHE CB . 50739 1 305 . 1 . 1 71 71 PHE N N 15 120.8731 0.039 . 1 . . . . . 71 PHE N . 50739 1 306 . 1 . 1 72 72 GLY H H 1 8.3952 0.012 . 1 . . . . . 72 GLY H . 50739 1 307 . 1 . 1 72 72 GLY C C 13 174.7503 0.218 . 1 . . . . . 72 GLY C . 50739 1 308 . 1 . 1 72 72 GLY CA C 13 45.4387 0.281 . 1 . . . . . 72 GLY CA . 50739 1 309 . 1 . 1 72 72 GLY N N 15 110.5256 0.039 . 1 . . . . . 72 GLY N . 50739 1 310 . 1 . 1 73 73 GLY H H 1 8.0445 0.012 . 1 . . . . . 73 GLY H . 50739 1 311 . 1 . 1 73 73 GLY C C 13 174.7617 0.218 . 1 . . . . . 73 GLY C . 50739 1 312 . 1 . 1 73 73 GLY CA C 13 45.41 0.281 . 1 . . . . . 73 GLY CA . 50739 1 313 . 1 . 1 73 73 GLY N N 15 108.3632 0.039 . 1 . . . . . 73 GLY N . 50739 1 314 . 1 . 1 74 74 GLY H H 1 8.3634 0.012 . 1 . . . . . 74 GLY H . 50739 1 315 . 1 . 1 74 74 GLY C C 13 174.7297 0.218 . 1 . . . . . 74 GLY C . 50739 1 316 . 1 . 1 74 74 GLY CA C 13 45.3623 0.281 . 1 . . . . . 74 GLY CA . 50739 1 317 . 1 . 1 74 74 GLY N N 15 108.737 0.039 . 1 . . . . . 74 GLY N . 50739 1 318 . 1 . 1 75 75 GLY H H 1 8.315 0.012 . 1 . . . . . 75 GLY H . 50739 1 319 . 1 . 1 75 75 GLY C C 13 174.0733 0.218 . 1 . . . . . 75 GLY C . 50739 1 320 . 1 . 1 75 75 GLY CA C 13 45.1773 0.281 . 1 . . . . . 75 GLY CA . 50739 1 321 . 1 . 1 75 75 GLY N N 15 108.6536 0.039 . 1 . . . . . 75 GLY N . 50739 1 322 . 1 . 1 76 76 SER H H 1 8.2235 0.012 . 1 . . . . . 76 SER H . 50739 1 323 . 1 . 1 76 76 SER C C 13 174.3082 0.218 . 1 . . . . . 76 SER C . 50739 1 324 . 1 . 1 76 76 SER CA C 13 58.4778 0.281 . 1 . . . . . 76 SER CA . 50739 1 325 . 1 . 1 76 76 SER CB C 13 64.1008 0.281 . 1 . . . . . 76 SER CB . 50739 1 326 . 1 . 1 76 76 SER N N 15 115.4578 0.039 . 1 . . . . . 76 SER N . 50739 1 327 . 1 . 1 77 77 TYR H H 1 8.2497 0.012 . 1 . . . . . 77 TYR H . 50739 1 328 . 1 . 1 77 77 TYR C C 13 175.509 0.218 . 1 . . . . . 77 TYR C . 50739 1 329 . 1 . 1 77 77 TYR CA C 13 58.2514 0.281 . 1 . . . . . 77 TYR CA . 50739 1 330 . 1 . 1 77 77 TYR CB C 13 39.0764 0.281 . 1 . . . . . 77 TYR CB . 50739 1 331 . 1 . 1 77 77 TYR N N 15 121.7986 0.039 . 1 . . . . . 77 TYR N . 50739 1 332 . 1 . 1 78 78 ASN H H 1 8.187 0.012 . 1 . . . . . 78 ASN H . 50739 1 333 . 1 . 1 78 78 ASN C C 13 174.5217 0.218 . 1 . . . . . 78 ASN C . 50739 1 334 . 1 . 1 78 78 ASN CA C 13 53.1345 0.281 . 1 . . . . . 78 ASN CA . 50739 1 335 . 1 . 1 78 78 ASN CB C 13 39.005 0.281 . 1 . . . . . 78 ASN CB . 50739 1 336 . 1 . 1 78 78 ASN N N 15 119.8518 0.039 . 1 . . . . . 78 ASN N . 50739 1 337 . 1 . 1 79 79 ASP H H 1 8.0796 0.012 . 1 . . . . . 79 ASP H . 50739 1 338 . 1 . 1 79 79 ASP C C 13 176.1408 0.218 . 1 . . . . . 79 ASP C . 50739 1 339 . 1 . 1 79 79 ASP CA C 13 54.4962 0.281 . 1 . . . . . 79 ASP CA . 50739 1 340 . 1 . 1 79 79 ASP CB C 13 41.0866 0.281 . 1 . . . . . 79 ASP CB . 50739 1 341 . 1 . 1 79 79 ASP N N 15 120.3621 0.039 . 1 . . . . . 79 ASP N . 50739 1 342 . 1 . 1 80 80 PHE H H 1 8.1623 0.012 . 1 . . . . . 80 PHE H . 50739 1 343 . 1 . 1 80 80 PHE CA C 13 58.2204 0.281 . 1 . . . . . 80 PHE CA . 50739 1 344 . 1 . 1 80 80 PHE CB C 13 39.049 0.281 . 1 . . . . . 80 PHE CB . 50739 1 345 . 1 . 1 80 80 PHE N N 15 119.9903 0.039 . 1 . . . . . 80 PHE N . 50739 1 346 . 1 . 1 81 81 GLY H H 1 8.2915 0.012 . 1 . . . . . 81 GLY H . 50739 1 347 . 1 . 1 81 81 GLY C C 13 173.8333 0.218 . 1 . . . . . 81 GLY C . 50739 1 348 . 1 . 1 81 81 GLY CA C 13 45.5458 0.281 . 1 . . . . . 81 GLY CA . 50739 1 349 . 1 . 1 81 81 GLY N N 15 109.1416 0.039 . 1 . . . . . 81 GLY N . 50739 1 350 . 1 . 1 82 82 ASN H H 1 8.1114 0.012 . 1 . . . . . 82 ASN H . 50739 1 351 . 1 . 1 82 82 ASN C C 13 175.1114 0.218 . 1 . . . . . 82 ASN C . 50739 1 352 . 1 . 1 82 82 ASN CA C 13 53.1192 0.281 . 1 . . . . . 82 ASN CA . 50739 1 353 . 1 . 1 82 82 ASN CB C 13 38.8543 0.281 . 1 . . . . . 82 ASN CB . 50739 1 354 . 1 . 1 82 82 ASN N N 15 118.2702 0.039 . 1 . . . . . 82 ASN N . 50739 1 355 . 1 . 1 83 83 TYR H H 1 8.1804 0.012 . 1 . . . . . 83 TYR H . 50739 1 356 . 1 . 1 83 83 TYR CA C 13 58.2101 0.281 . 1 . . . . . 83 TYR CA . 50739 1 357 . 1 . 1 83 83 TYR CB C 13 38.6879 0.281 . 1 . . . . . 83 TYR CB . 50739 1 358 . 1 . 1 83 83 TYR N N 15 120.547 0.039 . 1 . . . . . 83 TYR N . 50739 1 359 . 1 . 1 84 84 ASN C C 13 174.8956 0.218 . 1 . . . . . 84 ASN C . 50739 1 360 . 1 . 1 84 84 ASN CA C 13 52.9823 0.281 . 1 . . . . . 84 ASN CA . 50739 1 361 . 1 . 1 84 84 ASN CB C 13 38.6987 0.281 . 1 . . . . . 84 ASN CB . 50739 1 362 . 1 . 1 85 85 ASN H H 1 8.2812 0.012 . 1 . . . . . 85 ASN H . 50739 1 363 . 1 . 1 85 85 ASN C C 13 175.3405 0.218 . 1 . . . . . 85 ASN C . 50739 1 364 . 1 . 1 85 85 ASN CA C 13 53.7011 0.281 . 1 . . . . . 85 ASN CA . 50739 1 365 . 1 . 1 85 85 ASN CB C 13 38.7065 0.281 . 1 . . . . . 85 ASN CB . 50739 1 366 . 1 . 1 85 85 ASN N N 15 118.8571 0.039 . 1 . . . . . 85 ASN N . 50739 1 367 . 1 . 1 86 86 GLN H H 1 8.3179 0.012 . 1 . . . . . 86 GLN H . 50739 1 368 . 1 . 1 86 86 GLN C C 13 176.2505 0.218 . 1 . . . . . 86 GLN C . 50739 1 369 . 1 . 1 86 86 GLN CA C 13 56.1977 0.281 . 1 . . . . . 86 GLN CA . 50739 1 370 . 1 . 1 86 86 GLN CB C 13 29.2382 0.281 . 1 . . . . . 86 GLN CB . 50739 1 371 . 1 . 1 86 86 GLN N N 15 119.8526 0.039 . 1 . . . . . 86 GLN N . 50739 1 372 . 1 . 1 87 87 SER H H 1 8.3298 0.012 . 1 . . . . . 87 SER H . 50739 1 373 . 1 . 1 87 87 SER C C 13 174.8004 0.218 . 1 . . . . . 87 SER C . 50739 1 374 . 1 . 1 87 87 SER CA C 13 58.7213 0.281 . 1 . . . . . 87 SER CA . 50739 1 375 . 1 . 1 87 87 SER CB C 13 63.9276 0.281 . 1 . . . . . 87 SER CB . 50739 1 376 . 1 . 1 87 87 SER N N 15 116.2589 0.039 . 1 . . . . . 87 SER N . 50739 1 377 . 1 . 1 88 88 SER H H 1 8.3455 0.012 . 1 . . . . . 88 SER H . 50739 1 378 . 1 . 1 88 88 SER C C 13 174.1932 0.218 . 1 . . . . . 88 SER C . 50739 1 379 . 1 . 1 88 88 SER CA C 13 58.7382 0.281 . 1 . . . . . 88 SER CA . 50739 1 380 . 1 . 1 88 88 SER CB C 13 63.8995 0.281 . 1 . . . . . 88 SER CB . 50739 1 381 . 1 . 1 88 88 SER N N 15 117.3407 0.039 . 1 . . . . . 88 SER N . 50739 1 382 . 1 . 1 89 89 ASN H H 1 8.3313 0.012 . 1 . . . . . 89 ASN H . 50739 1 383 . 1 . 1 89 89 ASN C C 13 174.8959 0.218 . 1 . . . . . 89 ASN C . 50739 1 384 . 1 . 1 89 89 ASN CA C 13 53.2614 0.281 . 1 . . . . . 89 ASN CA . 50739 1 385 . 1 . 1 89 89 ASN CB C 13 38.815 0.281 . 1 . . . . . 89 ASN CB . 50739 1 386 . 1 . 1 89 89 ASN N N 15 119.8292 0.039 . 1 . . . . . 89 ASN N . 50739 1 387 . 1 . 1 90 90 PHE H H 1 8.0849 0.012 . 1 . . . . . 90 PHE H . 50739 1 388 . 1 . 1 90 90 PHE C C 13 174.5195 0.218 . 1 . . . . . 90 PHE C . 50739 1 389 . 1 . 1 90 90 PHE CA C 13 57.6514 0.281 . 1 . . . . . 90 PHE CA . 50739 1 390 . 1 . 1 90 90 PHE CB C 13 39.6583 0.281 . 1 . . . . . 90 PHE CB . 50739 1 391 . 1 . 1 90 90 PHE N N 15 120.5493 0.039 . 1 . . . . . 90 PHE N . 50739 1 392 . 1 . 1 91 91 ASP H H 1 8.1476 0.012 . 1 . . . . . 91 ASP H . 50739 1 393 . 1 . 1 91 91 ASP C C 13 174.9063 0.218 . 1 . . . . . 91 ASP C . 50739 1 394 . 1 . 1 91 91 ASP CA C 13 51.3579 0.281 . 1 . . . . . 91 ASP CA . 50739 1 395 . 1 . 1 91 91 ASP CB C 13 41.8002 0.281 . 1 . . . . . 91 ASP CB . 50739 1 396 . 1 . 1 91 91 ASP N N 15 124.3828 0.039 . 1 . . . . . 91 ASP N . 50739 1 397 . 1 . 1 93 93 MET H H 1 8.3627 0.012 . 1 . . . . . 93 MET H . 50739 1 398 . 1 . 1 93 93 MET CA C 13 55.6512 0.281 . 1 . . . . . 93 MET CA . 50739 1 399 . 1 . 1 93 93 MET CB C 13 31.9394 0.281 . 1 . . . . . 93 MET CB . 50739 1 400 . 1 . 1 93 93 MET N N 15 117.3853 0.039 . 1 . . . . . 93 MET N . 50739 1 401 . 1 . 1 94 94 LYS H H 1 7.8194 0.012 . 1 . . . . . 94 LYS H . 50739 1 402 . 1 . 1 94 94 LYS CA C 13 56.5825 0.281 . 1 . . . . . 94 LYS CA . 50739 1 403 . 1 . 1 94 94 LYS CB C 13 32.9061 0.281 . 1 . . . . . 94 LYS CB . 50739 1 404 . 1 . 1 94 94 LYS N N 15 120.2426 0.039 . 1 . . . . . 94 LYS N . 50739 1 405 . 1 . 1 95 95 GLY H H 1 8.2852 0.012 . 1 . . . . . 95 GLY H . 50739 1 406 . 1 . 1 95 95 GLY C C 13 174.5965 0.218 . 1 . . . . . 95 GLY C . 50739 1 407 . 1 . 1 95 95 GLY CA C 13 45.4913 0.281 . 1 . . . . . 95 GLY CA . 50739 1 408 . 1 . 1 95 95 GLY N N 15 109.0914 0.039 . 1 . . . . . 95 GLY N . 50739 1 409 . 1 . 1 96 96 GLY H H 1 8.2056 0.012 . 1 . . . . . 96 GLY H . 50739 1 410 . 1 . 1 96 96 GLY C C 13 173.777 0.218 . 1 . . . . . 96 GLY C . 50739 1 411 . 1 . 1 96 96 GLY N N 15 108.1829 0.039 . 1 . . . . . 96 GLY N . 50739 1 412 . 1 . 1 97 97 ASN H H 1 8.3178 0.012 . 1 . . . . . 97 ASN H . 50739 1 413 . 1 . 1 97 97 ASN C C 13 174.4253 0.218 . 1 . . . . . 97 ASN C . 50739 1 414 . 1 . 1 97 97 ASN CA C 13 53.1843 0.281 . 1 . . . . . 97 ASN CA . 50739 1 415 . 1 . 1 97 97 ASN CB C 13 38.8411 0.281 . 1 . . . . . 97 ASN CB . 50739 1 416 . 1 . 1 97 97 ASN N N 15 118.4572 0.039 . 1 . . . . . 97 ASN N . 50739 1 417 . 1 . 1 98 98 PHE H H 1 8.2636 0.012 . 1 . . . . . 98 PHE H . 50739 1 418 . 1 . 1 98 98 PHE CA C 13 58.2127 0.281 . 1 . . . . . 98 PHE CA . 50739 1 419 . 1 . 1 98 98 PHE CB C 13 39.2782 0.281 . 1 . . . . . 98 PHE CB . 50739 1 420 . 1 . 1 98 98 PHE N N 15 120.7991 0.039 . 1 . . . . . 98 PHE N . 50739 1 421 . 1 . 1 99 99 LYS H H 1 8.1771 0.012 . 1 . . . . . 99 LYS H . 50739 1 422 . 1 . 1 99 99 LYS C C 13 175.0532 0.218 . 1 . . . . . 99 LYS C . 50739 1 423 . 1 . 1 99 99 LYS CA C 13 56.6058 0.281 . 1 . . . . . 99 LYS CA . 50739 1 424 . 1 . 1 99 99 LYS CB C 13 32.9676 0.281 . 1 . . . . . 99 LYS CB . 50739 1 425 . 1 . 1 99 99 LYS N N 15 122.2839 0.039 . 1 . . . . . 99 LYS N . 50739 1 426 . 1 . 1 100 100 ASP H H 1 8.2259 0.012 . 1 . . . . . 100 ASP H . 50739 1 427 . 1 . 1 100 100 ASP C C 13 176.3322 0.218 . 1 . . . . . 100 ASP C . 50739 1 428 . 1 . 1 100 100 ASP CA C 13 54.4372 0.281 . 1 . . . . . 100 ASP CA . 50739 1 429 . 1 . 1 100 100 ASP CB C 13 41.1493 0.281 . 1 . . . . . 100 ASP CB . 50739 1 430 . 1 . 1 100 100 ASP N N 15 120.6002 0.039 . 1 . . . . . 100 ASP N . 50739 1 431 . 1 . 1 101 101 ARG H H 1 8.2502 0.012 . 1 . . . . . 101 ARG H . 50739 1 432 . 1 . 1 101 101 ARG C C 13 176.5005 0.218 . 1 . . . . . 101 ARG C . 50739 1 433 . 1 . 1 101 101 ARG CA C 13 56.175 0.281 . 1 . . . . . 101 ARG CA . 50739 1 434 . 1 . 1 101 101 ARG CB C 13 30.616 0.281 . 1 . . . . . 101 ARG CB . 50739 1 435 . 1 . 1 101 101 ARG N N 15 121.3627 0.039 . 1 . . . . . 101 ARG N . 50739 1 436 . 1 . 1 102 102 SER H H 1 8.4245 0.012 . 1 . . . . . 102 SER H . 50739 1 437 . 1 . 1 102 102 SER C C 13 174.6179 0.218 . 1 . . . . . 102 SER C . 50739 1 438 . 1 . 1 102 102 SER CA C 13 58.7047 0.281 . 1 . . . . . 102 SER CA . 50739 1 439 . 1 . 1 102 102 SER CB C 13 63.8887 0.281 . 1 . . . . . 102 SER CB . 50739 1 440 . 1 . 1 102 102 SER N N 15 116.669 0.039 . 1 . . . . . 102 SER N . 50739 1 441 . 1 . 1 103 103 SER H H 1 8.3537 0.012 . 1 . . . . . 103 SER H . 50739 1 442 . 1 . 1 103 103 SER C C 13 174.4788 0.218 . 1 . . . . . 103 SER C . 50739 1 443 . 1 . 1 103 103 SER CA C 13 58.406 0.281 . 1 . . . . . 103 SER CA . 50739 1 444 . 1 . 1 103 103 SER CB C 13 64.1056 0.281 . 1 . . . . . 103 SER CB . 50739 1 445 . 1 . 1 103 103 SER N N 15 117.3121 0.039 . 1 . . . . . 103 SER N . 50739 1 446 . 1 . 1 104 104 GLY H H 1 8.2065 0.012 . 1 . . . . . 104 GLY H . 50739 1 447 . 1 . 1 104 104 GLY CA C 13 44.3387 0.281 . 1 . . . . . 104 GLY CA . 50739 1 448 . 1 . 1 104 104 GLY N N 15 110.4054 0.039 . 1 . . . . . 104 GLY N . 50739 1 449 . 1 . 1 105 105 PRO C C 13 176.8453 0.218 . 1 . . . . . 105 PRO C . 50739 1 450 . 1 . 1 105 105 PRO CA C 13 63.444 0.281 . 1 . . . . . 105 PRO CA . 50739 1 451 . 1 . 1 105 105 PRO CB C 13 31.741 0.281 . 1 . . . . . 105 PRO CB . 50739 1 452 . 1 . 1 106 106 TYR H H 1 8.2066 0.012 . 1 . . . . . 106 TYR H . 50739 1 453 . 1 . 1 106 106 TYR C C 13 175.6295 0.218 . 1 . . . . . 106 TYR C . 50739 1 454 . 1 . 1 106 106 TYR CA C 13 57.7015 0.281 . 1 . . . . . 106 TYR CA . 50739 1 455 . 1 . 1 106 106 TYR CB C 13 38.5078 0.281 . 1 . . . . . 106 TYR CB . 50739 1 456 . 1 . 1 106 106 TYR N N 15 119.1125 0.039 . 1 . . . . . 106 TYR N . 50739 1 457 . 1 . 1 107 107 ASP H H 1 8.031 0.012 . 1 . . . . . 107 ASP H . 50739 1 458 . 1 . 1 107 107 ASP C C 13 176.2898 0.218 . 1 . . . . . 107 ASP C . 50739 1 459 . 1 . 1 107 107 ASP CA C 13 54.313 0.281 . 1 . . . . . 107 ASP CA . 50739 1 460 . 1 . 1 107 107 ASP CB C 13 41.4525 0.281 . 1 . . . . . 107 ASP CB . 50739 1 461 . 1 . 1 107 107 ASP N N 15 121.6884 0.039 . 1 . . . . . 107 ASP N . 50739 1 462 . 1 . 1 108 108 LYS H H 1 8.2553 0.012 . 1 . . . . . 108 LYS H . 50739 1 463 . 1 . 1 108 108 LYS CA C 13 56.8571 0.281 . 1 . . . . . 108 LYS CA . 50739 1 464 . 1 . 1 108 108 LYS CB C 13 32.543 0.281 . 1 . . . . . 108 LYS CB . 50739 1 465 . 1 . 1 108 108 LYS N N 15 121.9609 0.039 . 1 . . . . . 108 LYS N . 50739 1 466 . 1 . 1 109 109 GLY H H 1 8.433 0.012 . 1 . . . . . 109 GLY H . 50739 1 467 . 1 . 1 109 109 GLY C C 13 174.901 0.218 . 1 . . . . . 109 GLY C . 50739 1 468 . 1 . 1 109 109 GLY CA C 13 45.5423 0.281 . 1 . . . . . 109 GLY CA . 50739 1 469 . 1 . 1 109 109 GLY N N 15 109.3135 0.039 . 1 . . . . . 109 GLY N . 50739 1 470 . 1 . 1 110 110 GLY H H 1 8.2497 0.012 . 1 . . . . . 110 GLY H . 50739 1 471 . 1 . 1 110 110 GLY C C 13 174.3123 0.218 . 1 . . . . . 110 GLY C . 50739 1 472 . 1 . 1 110 110 GLY CA C 13 45.2317 0.281 . 1 . . . . . 110 GLY CA . 50739 1 473 . 1 . 1 110 110 GLY N N 15 108.4486 0.039 . 1 . . . . . 110 GLY N . 50739 1 474 . 1 . 1 111 111 GLN H H 1 8.2816 0.012 . 1 . . . . . 111 GLN H . 50739 1 475 . 1 . 1 111 111 GLN C C 13 175.6323 0.218 . 1 . . . . . 111 GLN C . 50739 1 476 . 1 . 1 111 111 GLN CA C 13 56.0911 0.281 . 1 . . . . . 111 GLN CA . 50739 1 477 . 1 . 1 111 111 GLN CB C 13 29.31 0.281 . 1 . . . . . 111 GLN CB . 50739 1 478 . 1 . 1 111 111 GLN N N 15 119.5146 0.039 . 1 . . . . . 111 GLN N . 50739 1 479 . 1 . 1 112 112 TYR H H 1 8.1818 0.012 . 1 . . . . . 112 TYR H . 50739 1 480 . 1 . 1 112 112 TYR C C 13 175.276 0.218 . 1 . . . . . 112 TYR C . 50739 1 481 . 1 . 1 112 112 TYR CA C 13 58.168 0.281 . 1 . . . . . 112 TYR CA . 50739 1 482 . 1 . 1 112 112 TYR CB C 13 38.7448 0.281 . 1 . . . . . 112 TYR CB . 50739 1 483 . 1 . 1 112 112 TYR N N 15 120.7219 0.039 . 1 . . . . . 112 TYR N . 50739 1 484 . 1 . 1 113 113 PHE H H 1 7.9318 0.012 . 1 . . . . . 113 PHE H . 50739 1 485 . 1 . 1 113 113 PHE CA C 13 57.5463 0.281 . 1 . . . . . 113 PHE CA . 50739 1 486 . 1 . 1 113 113 PHE CB C 13 39.844 0.281 . 1 . . . . . 113 PHE CB . 50739 1 487 . 1 . 1 113 113 PHE N N 15 121.631 0.039 . 1 . . . . . 113 PHE N . 50739 1 488 . 1 . 1 114 114 ALA H H 1 8.081 0.012 . 1 . . . . . 114 ALA H . 50739 1 489 . 1 . 1 114 114 ALA C C 13 176.9368 0.218 . 1 . . . . . 114 ALA C . 50739 1 490 . 1 . 1 114 114 ALA CA C 13 52.1877 0.281 . 1 . . . . . 114 ALA CA . 50739 1 491 . 1 . 1 114 114 ALA CB C 13 19.3391 0.281 . 1 . . . . . 114 ALA CB . 50739 1 492 . 1 . 1 114 114 ALA N N 15 125.2628 0.039 . 1 . . . . . 114 ALA N . 50739 1 493 . 1 . 1 115 115 LYS H H 1 8.1136 0.012 . 1 . . . . . 115 LYS H . 50739 1 494 . 1 . 1 115 115 LYS CA C 13 54.2435 0.281 . 1 . . . . . 115 LYS CA . 50739 1 495 . 1 . 1 115 115 LYS CB C 13 32.5528 0.281 . 1 . . . . . 115 LYS CB . 50739 1 496 . 1 . 1 115 115 LYS N N 15 121.6884 0.039 . 1 . . . . . 115 LYS N . 50739 1 497 . 1 . 1 116 116 PRO C C 13 176.995 0.218 . 1 . . . . . 116 PRO C . 50739 1 498 . 1 . 1 116 116 PRO CA C 13 63.2971 0.281 . 1 . . . . . 116 PRO CA . 50739 1 499 . 1 . 1 116 116 PRO CB C 13 32.2107 0.281 . 1 . . . . . 116 PRO CB . 50739 1 500 . 1 . 1 117 117 ARG H H 1 8.5239 0.012 . 1 . . . . . 117 ARG H . 50739 1 501 . 1 . 1 117 117 ARG C C 13 176.3301 0.218 . 1 . . . . . 117 ARG C . 50739 1 502 . 1 . 1 117 117 ARG CA C 13 56.3128 0.281 . 1 . . . . . 117 ARG CA . 50739 1 503 . 1 . 1 117 117 ARG CB C 13 30.8304 0.281 . 1 . . . . . 117 ARG CB . 50739 1 504 . 1 . 1 117 117 ARG N N 15 121.5022 0.039 . 1 . . . . . 117 ARG N . 50739 1 505 . 1 . 1 118 118 ASN H H 1 8.4961 0.012 . 1 . . . . . 118 ASN H . 50739 1 506 . 1 . 1 118 118 ASN C C 13 175.2571 0.218 . 1 . . . . . 118 ASN C . 50739 1 507 . 1 . 1 118 118 ASN CA C 13 53.3431 0.281 . 1 . . . . . 118 ASN CA . 50739 1 508 . 1 . 1 118 118 ASN CB C 13 38.7084 0.281 . 1 . . . . . 118 ASN CB . 50739 1 509 . 1 . 1 118 118 ASN N N 15 119.1413 0.039 . 1 . . . . . 118 ASN N . 50739 1 510 . 1 . 1 119 119 GLN H H 1 8.4436 0.012 . 1 . . . . . 119 GLN H . 50739 1 511 . 1 . 1 119 119 GLN C C 13 176.4166 0.218 . 1 . . . . . 119 GLN C . 50739 1 512 . 1 . 1 119 119 GLN CA C 13 56.1493 0.281 . 1 . . . . . 119 GLN CA . 50739 1 513 . 1 . 1 119 119 GLN CB C 13 29.417 0.281 . 1 . . . . . 119 GLN CB . 50739 1 514 . 1 . 1 119 119 GLN N N 15 120.6707 0.039 . 1 . . . . . 119 GLN N . 50739 1 515 . 1 . 1 120 120 GLY H H 1 8.4491 0.012 . 1 . . . . . 120 GLY H . 50739 1 516 . 1 . 1 120 120 GLY C C 13 174.5334 0.218 . 1 . . . . . 120 GLY C . 50739 1 517 . 1 . 1 120 120 GLY CA C 13 45.3844 0.281 . 1 . . . . . 120 GLY CA . 50739 1 518 . 1 . 1 120 120 GLY N N 15 109.6026 0.039 . 1 . . . . . 120 GLY N . 50739 1 519 . 1 . 1 121 121 GLY H H 1 8.1943 0.012 . 1 . . . . . 121 GLY H . 50739 1 520 . 1 . 1 121 121 GLY C C 13 174.038 0.218 . 1 . . . . . 121 GLY C . 50739 1 521 . 1 . 1 121 121 GLY CA C 13 45.2861 0.281 . 1 . . . . . 121 GLY CA . 50739 1 522 . 1 . 1 121 121 GLY N N 15 108.3694 0.039 . 1 . . . . . 121 GLY N . 50739 1 523 . 1 . 1 122 122 TYR H H 1 8.1986 0.012 . 1 . . . . . 122 TYR H . 50739 1 524 . 1 . 1 122 122 TYR C C 13 176.6466 0.218 . 1 . . . . . 122 TYR C . 50739 1 525 . 1 . 1 122 122 TYR CA C 13 58.1198 0.281 . 1 . . . . . 122 TYR CA . 50739 1 526 . 1 . 1 122 122 TYR CB C 13 38.8354 0.281 . 1 . . . . . 122 TYR CB . 50739 1 527 . 1 . 1 122 122 TYR N N 15 120.0735 0.039 . 1 . . . . . 122 TYR N . 50739 1 528 . 1 . 1 123 123 GLY H H 1 8.487 0.012 . 1 . . . . . 123 GLY H . 50739 1 529 . 1 . 1 123 123 GLY C C 13 174.6632 0.218 . 1 . . . . . 123 GLY C . 50739 1 530 . 1 . 1 123 123 GLY CA C 13 45.3758 0.281 . 1 . . . . . 123 GLY CA . 50739 1 531 . 1 . 1 123 123 GLY N N 15 111.2831 0.039 . 1 . . . . . 123 GLY N . 50739 1 532 . 1 . 1 124 124 GLY H H 1 7.9443 0.012 . 1 . . . . . 124 GLY H . 50739 1 533 . 1 . 1 124 124 GLY C C 13 174.3238 0.218 . 1 . . . . . 124 GLY C . 50739 1 534 . 1 . 1 124 124 GLY CA C 13 45.2564 0.281 . 1 . . . . . 124 GLY CA . 50739 1 535 . 1 . 1 124 124 GLY N N 15 108.3555 0.039 . 1 . . . . . 124 GLY N . 50739 1 536 . 1 . 1 125 125 SER H H 1 8.3322 0.012 . 1 . . . . . 125 SER H . 50739 1 537 . 1 . 1 125 125 SER C C 13 175.0449 0.218 . 1 . . . . . 125 SER C . 50739 1 538 . 1 . 1 125 125 SER CA C 13 58.35 0.281 . 1 . . . . . 125 SER CA . 50739 1 539 . 1 . 1 125 125 SER CB C 13 64.116 0.281 . 1 . . . . . 125 SER CB . 50739 1 540 . 1 . 1 125 125 SER N N 15 115.5353 0.039 . 1 . . . . . 125 SER N . 50739 1 541 . 1 . 1 126 126 SER H H 1 8.5009 0.012 . 1 . . . . . 126 SER H . 50739 1 542 . 1 . 1 126 126 SER C C 13 174.7268 0.218 . 1 . . . . . 126 SER C . 50739 1 543 . 1 . 1 126 126 SER CA C 13 58.4926 0.281 . 1 . . . . . 126 SER CA . 50739 1 544 . 1 . 1 126 126 SER CB C 13 63.8263 0.281 . 1 . . . . . 126 SER CB . 50739 1 545 . 1 . 1 126 126 SER N N 15 117.8172 0.039 . 1 . . . . . 126 SER N . 50739 1 546 . 1 . 1 127 127 SER H H 1 8.3015 0.012 . 1 . . . . . 127 SER H . 50739 1 547 . 1 . 1 127 127 SER N N 15 117.6834 0.039 . 1 . . . . . 127 SER N . 50739 1 548 . 1 . 1 128 128 SER CA C 13 58.6558 0.281 . 1 . . . . . 128 SER CA . 50739 1 549 . 1 . 1 128 128 SER CB C 13 63.7847 0.281 . 1 . . . . . 128 SER CB . 50739 1 550 . 1 . 1 129 129 LYS H H 1 8.2851 0.012 . 1 . . . . . 129 LYS H . 50739 1 551 . 1 . 1 129 129 LYS CA C 13 56.4163 0.281 . 1 . . . . . 129 LYS CA . 50739 1 552 . 1 . 1 129 129 LYS CB C 13 32.9097 0.281 . 1 . . . . . 129 LYS CB . 50739 1 553 . 1 . 1 129 129 LYS N N 15 123.0622 0.039 . 1 . . . . . 129 LYS N . 50739 1 554 . 1 . 1 130 130 SER H H 1 8.2125 0.012 . 1 . . . . . 130 SER H . 50739 1 555 . 1 . 1 130 130 SER C C 13 174.2071 0.218 . 1 . . . . . 130 SER C . 50739 1 556 . 1 . 1 130 130 SER CA C 13 58.2544 0.281 . 1 . . . . . 130 SER CA . 50739 1 557 . 1 . 1 130 130 SER CB C 13 63.8954 0.281 . 1 . . . . . 130 SER CB . 50739 1 558 . 1 . 1 130 130 SER N N 15 116.3487 0.039 . 1 . . . . . 130 SER N . 50739 1 559 . 1 . 1 131 131 TYR H H 1 8.2543 0.012 . 1 . . . . . 131 TYR H . 50739 1 560 . 1 . 1 131 131 TYR CA C 13 58.1273 0.281 . 1 . . . . . 131 TYR CA . 50739 1 561 . 1 . 1 131 131 TYR CB C 13 38.8855 0.281 . 1 . . . . . 131 TYR CB . 50739 1 562 . 1 . 1 131 131 TYR N N 15 122.1734 0.039 . 1 . . . . . 131 TYR N . 50739 1 563 . 1 . 1 132 132 GLY H H 1 8.3891 0.012 . 1 . . . . . 132 GLY H . 50739 1 564 . 1 . 1 132 132 GLY C C 13 174.3521 0.218 . 1 . . . . . 132 GLY C . 50739 1 565 . 1 . 1 132 132 GLY CA C 13 45.3217 0.281 . 1 . . . . . 132 GLY CA . 50739 1 566 . 1 . 1 132 132 GLY N N 15 110.5183 0.039 . 1 . . . . . 132 GLY N . 50739 1 567 . 1 . 1 133 133 SER H H 1 8.2467 0.012 . 1 . . . . . 133 SER H . 50739 1 568 . 1 . 1 133 133 SER C C 13 174.3294 0.218 . 1 . . . . . 133 SER C . 50739 1 569 . 1 . 1 133 133 SER CA C 13 58.7343 0.281 . 1 . . . . . 133 SER CA . 50739 1 570 . 1 . 1 133 133 SER CB C 13 64.0656 0.281 . 1 . . . . . 133 SER CB . 50739 1 571 . 1 . 1 133 133 SER N N 15 115.5218 0.039 . 1 . . . . . 133 SER N . 50739 1 572 . 1 . 1 134 134 ASP H H 1 8.4594 0.012 . 1 . . . . . 134 ASP H . 50739 1 573 . 1 . 1 134 134 ASP C C 13 175.9617 0.218 . 1 . . . . . 134 ASP C . 50739 1 574 . 1 . 1 134 134 ASP CA C 13 54.3223 0.281 . 1 . . . . . 134 ASP CA . 50739 1 575 . 1 . 1 134 134 ASP CB C 13 40.8846 0.281 . 1 . . . . . 134 ASP CB . 50739 1 576 . 1 . 1 134 134 ASP N N 15 121.7287 0.039 . 1 . . . . . 134 ASP N . 50739 1 577 . 1 . 1 135 135 ARG H H 1 8.1009 0.012 . 1 . . . . . 135 ARG H . 50739 1 578 . 1 . 1 135 135 ARG C C 13 175.852 0.218 . 1 . . . . . 135 ARG C . 50739 1 579 . 1 . 1 135 135 ARG CA C 13 56.036 0.281 . 1 . . . . . 135 ARG CA . 50739 1 580 . 1 . 1 135 135 ARG CB C 13 30.6065 0.281 . 1 . . . . . 135 ARG CB . 50739 1 581 . 1 . 1 135 135 ARG N N 15 120.9021 0.039 . 1 . . . . . 135 ARG N . 50739 1 582 . 1 . 1 136 136 ARG H H 1 8.2845 0.012 . 1 . . . . . 136 ARG H . 50739 1 583 . 1 . 1 136 136 ARG C C 13 175.0477 0.218 . 1 . . . . . 136 ARG C . 50739 1 584 . 1 . 1 136 136 ARG CA C 13 55.9786 0.281 . 1 . . . . . 136 ARG CA . 50739 1 585 . 1 . 1 136 136 ARG CB C 13 30.7884 0.281 . 1 . . . . . 136 ARG CB . 50739 1 586 . 1 . 1 136 136 ARG N N 15 122.5105 0.039 . 1 . . . . . 136 ARG N . 50739 1 587 . 1 . 1 137 137 PHE H H 1 7.7354 0.012 . 1 . . . . . 137 PHE H . 50739 1 588 . 1 . 1 137 137 PHE C C 13 175.0521 0.218 . 1 . . . . . 137 PHE C . 50739 1 589 . 1 . 1 137 137 PHE CA C 13 58.9578 0.281 . 1 . . . . . 137 PHE CA . 50739 1 590 . 1 . 1 137 137 PHE N N 15 125.2376 0.039 . 1 . . . . . 137 PHE N . 50739 1 stop_ save_