data_27348 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27348 _Entry.Title ; 1H, 13C and 15N assignment of C', CA, N and HN of intrinsically disordered alpha-synuclein near-phsysiological conditions ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-22 _Entry.Accession_date 2017-12-22 _Entry.Last_release_date 2017-12-22 _Entry.Original_release_date 2017-12-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 "1H, 13C and 15N assignment of C', CA, N and HN of intrinsically disordered alpha-synuclein near-phsysiological conditions." _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 Marco Schiavina . . . . 27348 2 'Maria Grazia' Murrali . . . . 27348 3 Valerio Sainati . . . . 27348 4 Wolfgang Bermel . . . . 27348 5 Roberta Pierattelli . . . . 27348 6 Isabella Felli . C. . . 27348 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CERM, University of Florence, Italy' . 27348 2 . 'Bruker Biospin' . 27348 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27348 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 27348 '15N chemical shifts' 139 27348 '1H chemical shifts' 93 27348 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-04-24 2017-12-22 update BMRB 'update entry citation' 27348 1 . . 2018-03-08 2017-12-22 original author 'original release' 27348 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6968 'intrinsically disordered alpha-synuclein' 27348 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27348 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29492731 _Citation.Full_citation . _Citation.Title ; 13C APSY-NMR for sequential assignment of intrinsically disordered proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 70 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 167 _Citation.Page_last 175 _Citation.Year 2018 _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 'Maria Grazia' Murrali M. G. . . 27348 1 2 Marco Schiavina M. . . . 27348 1 3 Valerio Sainati V. . . . 27348 1 4 Wolfgang Bermel W. . . . 27348 1 5 Roberta Pierattelli R. . . . 27348 1 6 Isabella Felli I. C. . . 27348 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27348 _Assembly.ID 1 _Assembly.Name 'intrinsically disordered alpha-synuclein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14460 _Assembly.Enzyme_commission_number . _Assembly.Details 'intrinsically disordered alpha-synuclein' _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 'intrinsically disordered alpha-synuclein' 1 $intrinsically_disordered_alpha-synuclein A . yes 'intrinsically disordered' no no . main . 27348 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_intrinsically_disordered_alpha-synuclein _Entity.Sf_category entity _Entity.Sf_framecode intrinsically_disordered_alpha-synuclein _Entity.Entry_ID 27348 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name intrinsically_disordered_alpha-synuclein _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 ; MDVFMKGLSKAKEGVVAAAE KTKQGVAEAAGKTKEGVLYV GSKTKEGVVHGVATVAEKTK EQVTNVGGAVVTGVTAVAQK TVEGAGSIAAATGFVKKDQL GKNEEGAPQEGILEDMPVDP DNEAYEMPSEEGYQDYEPEA ; _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 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'intrinsically disordered alpha-synuclein' _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 . MET . 27348 1 2 . ASP . 27348 1 3 . VAL . 27348 1 4 . PHE . 27348 1 5 . MET . 27348 1 6 . LYS . 27348 1 7 . GLY . 27348 1 8 . LEU . 27348 1 9 . SER . 27348 1 10 . LYS . 27348 1 11 . ALA . 27348 1 12 . LYS . 27348 1 13 . GLU . 27348 1 14 . GLY . 27348 1 15 . VAL . 27348 1 16 . VAL . 27348 1 17 . ALA . 27348 1 18 . ALA . 27348 1 19 . ALA . 27348 1 20 . GLU . 27348 1 21 . LYS . 27348 1 22 . THR . 27348 1 23 . LYS . 27348 1 24 . GLN . 27348 1 25 . GLY . 27348 1 26 . VAL . 27348 1 27 . ALA . 27348 1 28 . GLU . 27348 1 29 . ALA . 27348 1 30 . ALA . 27348 1 31 . GLY . 27348 1 32 . LYS . 27348 1 33 . THR . 27348 1 34 . LYS . 27348 1 35 . GLU . 27348 1 36 . GLY . 27348 1 37 . VAL . 27348 1 38 . LEU . 27348 1 39 . TYR . 27348 1 40 . VAL . 27348 1 41 . GLY . 27348 1 42 . SER . 27348 1 43 . LYS . 27348 1 44 . THR . 27348 1 45 . LYS . 27348 1 46 . GLU . 27348 1 47 . GLY . 27348 1 48 . VAL . 27348 1 49 . VAL . 27348 1 50 . HIS . 27348 1 51 . GLY . 27348 1 52 . VAL . 27348 1 53 . ALA . 27348 1 54 . THR . 27348 1 55 . VAL . 27348 1 56 . ALA . 27348 1 57 . GLU . 27348 1 58 . LYS . 27348 1 59 . THR . 27348 1 60 . LYS . 27348 1 61 . GLU . 27348 1 62 . GLN . 27348 1 63 . VAL . 27348 1 64 . THR . 27348 1 65 . ASN . 27348 1 66 . VAL . 27348 1 67 . GLY . 27348 1 68 . GLY . 27348 1 69 . ALA . 27348 1 70 . VAL . 27348 1 71 . VAL . 27348 1 72 . THR . 27348 1 73 . GLY . 27348 1 74 . VAL . 27348 1 75 . THR . 27348 1 76 . ALA . 27348 1 77 . VAL . 27348 1 78 . ALA . 27348 1 79 . GLN . 27348 1 80 . LYS . 27348 1 81 . THR . 27348 1 82 . VAL . 27348 1 83 . GLU . 27348 1 84 . GLY . 27348 1 85 . ALA . 27348 1 86 . GLY . 27348 1 87 . SER . 27348 1 88 . ILE . 27348 1 89 . ALA . 27348 1 90 . ALA . 27348 1 91 . ALA . 27348 1 92 . THR . 27348 1 93 . GLY . 27348 1 94 . PHE . 27348 1 95 . VAL . 27348 1 96 . LYS . 27348 1 97 . LYS . 27348 1 98 . ASP . 27348 1 99 . GLN . 27348 1 100 . LEU . 27348 1 101 . GLY . 27348 1 102 . LYS . 27348 1 103 . ASN . 27348 1 104 . GLU . 27348 1 105 . GLU . 27348 1 106 . GLY . 27348 1 107 . ALA . 27348 1 108 . PRO . 27348 1 109 . GLN . 27348 1 110 . GLU . 27348 1 111 . GLY . 27348 1 112 . ILE . 27348 1 113 . LEU . 27348 1 114 . GLU . 27348 1 115 . ASP . 27348 1 116 . MET . 27348 1 117 . PRO . 27348 1 118 . VAL . 27348 1 119 . ASP . 27348 1 120 . PRO . 27348 1 121 . ASP . 27348 1 122 . ASN . 27348 1 123 . GLU . 27348 1 124 . ALA . 27348 1 125 . TYR . 27348 1 126 . GLU . 27348 1 127 . MET . 27348 1 128 . PRO . 27348 1 129 . SER . 27348 1 130 . GLU . 27348 1 131 . GLU . 27348 1 132 . GLY . 27348 1 133 . TYR . 27348 1 134 . GLN . 27348 1 135 . ASP . 27348 1 136 . TYR . 27348 1 137 . GLU . 27348 1 138 . PRO . 27348 1 139 . GLU . 27348 1 140 . ALA . 27348 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 . MET 1 1 27348 1 . ASP 2 2 27348 1 . VAL 3 3 27348 1 . PHE 4 4 27348 1 . MET 5 5 27348 1 . LYS 6 6 27348 1 . GLY 7 7 27348 1 . LEU 8 8 27348 1 . SER 9 9 27348 1 . LYS 10 10 27348 1 . ALA 11 11 27348 1 . LYS 12 12 27348 1 . GLU 13 13 27348 1 . GLY 14 14 27348 1 . VAL 15 15 27348 1 . VAL 16 16 27348 1 . ALA 17 17 27348 1 . ALA 18 18 27348 1 . ALA 19 19 27348 1 . GLU 20 20 27348 1 . LYS 21 21 27348 1 . THR 22 22 27348 1 . LYS 23 23 27348 1 . GLN 24 24 27348 1 . GLY 25 25 27348 1 . VAL 26 26 27348 1 . ALA 27 27 27348 1 . GLU 28 28 27348 1 . ALA 29 29 27348 1 . ALA 30 30 27348 1 . GLY 31 31 27348 1 . LYS 32 32 27348 1 . THR 33 33 27348 1 . LYS 34 34 27348 1 . GLU 35 35 27348 1 . GLY 36 36 27348 1 . VAL 37 37 27348 1 . LEU 38 38 27348 1 . TYR 39 39 27348 1 . VAL 40 40 27348 1 . GLY 41 41 27348 1 . SER 42 42 27348 1 . LYS 43 43 27348 1 . THR 44 44 27348 1 . LYS 45 45 27348 1 . GLU 46 46 27348 1 . GLY 47 47 27348 1 . VAL 48 48 27348 1 . VAL 49 49 27348 1 . HIS 50 50 27348 1 . GLY 51 51 27348 1 . VAL 52 52 27348 1 . ALA 53 53 27348 1 . THR 54 54 27348 1 . VAL 55 55 27348 1 . ALA 56 56 27348 1 . GLU 57 57 27348 1 . LYS 58 58 27348 1 . THR 59 59 27348 1 . LYS 60 60 27348 1 . GLU 61 61 27348 1 . GLN 62 62 27348 1 . VAL 63 63 27348 1 . THR 64 64 27348 1 . ASN 65 65 27348 1 . VAL 66 66 27348 1 . GLY 67 67 27348 1 . GLY 68 68 27348 1 . ALA 69 69 27348 1 . VAL 70 70 27348 1 . VAL 71 71 27348 1 . THR 72 72 27348 1 . GLY 73 73 27348 1 . VAL 74 74 27348 1 . THR 75 75 27348 1 . ALA 76 76 27348 1 . VAL 77 77 27348 1 . ALA 78 78 27348 1 . GLN 79 79 27348 1 . LYS 80 80 27348 1 . THR 81 81 27348 1 . VAL 82 82 27348 1 . GLU 83 83 27348 1 . GLY 84 84 27348 1 . ALA 85 85 27348 1 . GLY 86 86 27348 1 . SER 87 87 27348 1 . ILE 88 88 27348 1 . ALA 89 89 27348 1 . ALA 90 90 27348 1 . ALA 91 91 27348 1 . THR 92 92 27348 1 . GLY 93 93 27348 1 . PHE 94 94 27348 1 . VAL 95 95 27348 1 . LYS 96 96 27348 1 . LYS 97 97 27348 1 . ASP 98 98 27348 1 . GLN 99 99 27348 1 . LEU 100 100 27348 1 . GLY 101 101 27348 1 . LYS 102 102 27348 1 . ASN 103 103 27348 1 . GLU 104 104 27348 1 . GLU 105 105 27348 1 . GLY 106 106 27348 1 . ALA 107 107 27348 1 . PRO 108 108 27348 1 . GLN 109 109 27348 1 . GLU 110 110 27348 1 . GLY 111 111 27348 1 . ILE 112 112 27348 1 . LEU 113 113 27348 1 . GLU 114 114 27348 1 . ASP 115 115 27348 1 . MET 116 116 27348 1 . PRO 117 117 27348 1 . VAL 118 118 27348 1 . ASP 119 119 27348 1 . PRO 120 120 27348 1 . ASP 121 121 27348 1 . ASN 122 122 27348 1 . GLU 123 123 27348 1 . ALA 124 124 27348 1 . TYR 125 125 27348 1 . GLU 126 126 27348 1 . MET 127 127 27348 1 . PRO 128 128 27348 1 . SER 129 129 27348 1 . GLU 130 130 27348 1 . GLU 131 131 27348 1 . GLY 132 132 27348 1 . TYR 133 133 27348 1 . GLN 134 134 27348 1 . ASP 135 135 27348 1 . TYR 136 136 27348 1 . GLU 137 137 27348 1 . PRO 138 138 27348 1 . GLU 139 139 27348 1 . ALA 140 140 27348 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27348 _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 $intrinsically_disordered_alpha-synuclein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . SNCA . 27348 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27348 _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 $intrinsically_disordered_alpha-synuclein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 'Gold (DE3)' . . . . pT7-7 . . . 27348 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27348 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; The NMR sample contained 1.0 mM uniformly 13C-15N labeled alpha-synuclein, 20 mM phosphate buffer, 0.5 mM EDTA, 200 mM NaCl in 90% H2O/10% D2O at pH 6.5 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'intrinsically disordered alpha-synuclein' '[U-13C; U-15N]' . . 1 $intrinsically_disordered_alpha-synuclein . . 1.0 . . mM . . . . 27348 1 2 KPI 'natural abundance' . . . . . . 20 . . mM . . . . 27348 1 3 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 27348 1 4 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 27348 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27348 1 6 D2O [U-2H] . . . . . . 10 . . % . . . . 27348 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 27348 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; The NMR sample contained 1.0 mM uniformly 13C-15N labeled alpha-synuclein, 20 mM phosphate buffer, 0.5 mM EDTA, 200 mM NaCl in 90% H2O/10% D2O at pH 6.5 ; 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 6.5 . pH 27348 1 temperature 315 . K 27348 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27348 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27348 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27348 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27348 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'The 700 MHz NMR spectrometer was equipped with a TXO cryoprobe optimized for 13C direct detection' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27348 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance NEO' . 700 'The 700 MHz NMR spectrometer was equipped with a TXO cryoprobe optimized for 13C direct detection' . . 27348 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27348 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '5D APSY-(HCA)CONCACON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27348 1 2 '3D APSY-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27348 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27348 1 4 '2D CON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27348 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27348 _Chem_shift_reference.ID 1 _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 na indirect 0.251449530 . . . . . 27348 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . 27348 1 N 15 DSS 'methylene protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 27348 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27348 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; assignment obtained for 13C-15N alpha-synuclein at 315 K with 5D APSY (HCA)CONCACON, 3D APSY HNCO, 2D 1H-15N HSQC, 2D CON experiments. The NMR sample contained 1.0 mM uniformly 13C-15N labeled a-synuclein, 20 mM phosphate buffer, 0.5 mM EDTA, 200 mM NaCl in 90% H2O/10% D2O at pH 6.5. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '5D APSY-(HCA)CONCACON' . . . 27348 1 2 '3D APSY-HNCO' . . . 27348 1 3 '2D 1H-15N HSQC' . . . 27348 1 4 '2D CON' . . . 27348 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 MET C C 13 173.29 . . . . . . . . 1 MET C . 27348 1 2 . 1 1 2 2 ASP C C 13 175.78 . . . . . . . . 2 ASP C . 27348 1 3 . 1 1 2 2 ASP CA C 13 54.27 . . . . . . . . 2 ASP CA . 27348 1 4 . 1 1 2 2 ASP N N 15 124.27 . . . . . . . . 2 ASP N . 27348 1 5 . 1 1 3 3 VAL H H 1 8.05 . . . . . . . . 3 VAL HN . 27348 1 6 . 1 1 3 3 VAL C C 13 175.75 . . . . . . . . 3 VAL C . 27348 1 7 . 1 1 3 3 VAL CA C 13 62.53 . . . . . . . . 3 VAL CA . 27348 1 8 . 1 1 3 3 VAL N N 15 119.66 . . . . . . . . 3 VAL N . 27348 1 9 . 1 1 4 4 PHE H H 1 8.17 . . . . . . . . 4 PHE HN . 27348 1 10 . 1 1 4 4 PHE C C 13 175.75 . . . . . . . . 4 PHE C . 27348 1 11 . 1 1 4 4 PHE CA C 13 57.87 . . . . . . . . 4 PHE CA . 27348 1 12 . 1 1 4 4 PHE N N 15 122.81 . . . . . . . . 4 PHE N . 27348 1 13 . 1 1 5 5 MET C C 13 175.84 . . . . . . . . 5 MET C . 27348 1 14 . 1 1 5 5 MET N N 15 121.66 . . . . . . . . 5 MET N . 27348 1 15 . 1 1 6 6 LYS C C 13 176.96 . . . . . . . . 6 LYS C . 27348 1 16 . 1 1 6 6 LYS CA C 13 56.88 . . . . . . . . 6 LYS CA . 27348 1 17 . 1 1 6 6 LYS N N 15 121.96 . . . . . . . . 6 LYS N . 27348 1 18 . 1 1 7 7 GLY C C 13 174.11 . . . . . . . . 7 GLY C . 27348 1 19 . 1 1 7 7 GLY CA C 13 45.43 . . . . . . . . 7 GLY CA . 27348 1 20 . 1 1 7 7 GLY N N 15 109.48 . . . . . . . . 7 GLY N . 27348 1 21 . 1 1 8 8 LEU H H 1 7.90 . . . . . . . . 8 LEU HN . 27348 1 22 . 1 1 8 8 LEU C C 13 177.42 . . . . . . . . 8 LEU C . 27348 1 23 . 1 1 8 8 LEU CA C 13 55.23 . . . . . . . . 8 LEU CA . 27348 1 24 . 1 1 8 8 LEU N N 15 121.41 . . . . . . . . 8 LEU N . 27348 1 25 . 1 1 9 9 SER C C 13 174.50 . . . . . . . . 9 SER C . 27348 1 26 . 1 1 9 9 SER CA C 13 58.40 . . . . . . . . 9 SER CA . 27348 1 27 . 1 1 9 9 SER N N 15 116.23 . . . . . . . . 9 SER N . 27348 1 28 . 1 1 10 10 LYS H H 1 8.18 . . . . . . . . 10 LYS HN . 27348 1 29 . 1 1 10 10 LYS C C 13 176.24 . . . . . . . . 10 LYS C . 27348 1 30 . 1 1 10 10 LYS N N 15 123.09 . . . . . . . . 10 LYS N . 27348 1 31 . 1 1 11 11 ALA C C 13 177.68 . . . . . . . . 11 ALA C . 27348 1 32 . 1 1 11 11 ALA CA C 13 52.62 . . . . . . . . 11 ALA CA . 27348 1 33 . 1 1 11 11 ALA N N 15 124.65 . . . . . . . . 11 ALA N . 27348 1 34 . 1 1 12 12 LYS H H 1 8.13 . . . . . . . . 12 LYS HN . 27348 1 35 . 1 1 12 12 LYS C C 13 176.38 . . . . . . . . 12 LYS C . 27348 1 36 . 1 1 12 12 LYS CA C 13 56.41 . . . . . . . . 12 LYS CA . 27348 1 37 . 1 1 12 12 LYS N N 15 120.25 . . . . . . . . 12 LYS N . 27348 1 38 . 1 1 13 13 GLU H H 1 8.31 . . . . . . . . 13 GLU HN . 27348 1 39 . 1 1 13 13 GLU C C 13 176.85 . . . . . . . . 13 GLU C . 27348 1 40 . 1 1 13 13 GLU CA C 13 56.85 . . . . . . . . 13 GLU CA . 27348 1 41 . 1 1 13 13 GLU N N 15 121.54 . . . . . . . . 13 GLU N . 27348 1 42 . 1 1 14 14 GLY H H 1 8.28 . . . . . . . . 14 GLY HN . 27348 1 43 . 1 1 14 14 GLY C C 13 173.97 . . . . . . . . 14 GLY C . 27348 1 44 . 1 1 14 14 GLY CA C 13 45.40 . . . . . . . . 14 GLY CA . 27348 1 45 . 1 1 14 14 GLY N N 15 109.58 . . . . . . . . 14 GLY N . 27348 1 46 . 1 1 15 15 VAL H H 1 7.82 . . . . . . . . 15 VAL HN . 27348 1 47 . 1 1 15 15 VAL C C 13 176.18 . . . . . . . . 15 VAL C . 27348 1 48 . 1 1 15 15 VAL CA C 13 62.46 . . . . . . . . 15 VAL CA . 27348 1 49 . 1 1 15 15 VAL N N 15 119.48 . . . . . . . . 15 VAL N . 27348 1 50 . 1 1 16 16 VAL H H 1 8.06 . . . . . . . . 16 VAL HN . 27348 1 51 . 1 1 16 16 VAL C C 13 175.76 . . . . . . . . 16 VAL C . 27348 1 52 . 1 1 16 16 VAL CA C 13 62.31 . . . . . . . . 16 VAL CA . 27348 1 53 . 1 1 16 16 VAL N N 15 123.93 . . . . . . . . 16 VAL N . 27348 1 54 . 1 1 17 17 ALA H H 1 8.24 . . . . . . . . 17 ALA HN . 27348 1 55 . 1 1 17 17 ALA C C 13 177.37 . . . . . . . . 17 ALA C . 27348 1 56 . 1 1 17 17 ALA CA C 13 52.45 . . . . . . . . 17 ALA CA . 27348 1 57 . 1 1 17 17 ALA N N 15 127.81 . . . . . . . . 17 ALA N . 27348 1 58 . 1 1 18 18 ALA H H 1 8.11 . . . . . . . . 18 ALA HN . 27348 1 59 . 1 1 18 18 ALA C C 13 177.64 . . . . . . . . 18 ALA C . 27348 1 60 . 1 1 18 18 ALA CA C 13 52.67 . . . . . . . . 18 ALA CA . 27348 1 61 . 1 1 18 18 ALA N N 15 123.28 . . . . . . . . 18 ALA N . 27348 1 62 . 1 1 19 19 ALA H H 1 8.11 . . . . . . . . 19 ALA HN . 27348 1 63 . 1 1 19 19 ALA C C 13 177.91 . . . . . . . . 19 ALA C . 27348 1 64 . 1 1 19 19 ALA CA C 13 52.71 . . . . . . . . 19 ALA CA . 27348 1 65 . 1 1 19 19 ALA N N 15 122.68 . . . . . . . . 19 ALA N . 27348 1 66 . 1 1 20 20 GLU H H 1 8.19 . . . . . . . . 20 GLU HN . 27348 1 67 . 1 1 20 20 GLU C C 13 176.74 . . . . . . . . 20 GLU C . 27348 1 68 . 1 1 20 20 GLU CA C 13 56.80 . . . . . . . . 20 GLU CA . 27348 1 69 . 1 1 20 20 GLU N N 15 119.51 . . . . . . . . 20 GLU N . 27348 1 70 . 1 1 21 21 LYS C C 13 176.88 . . . . . . . . 21 LYS C . 27348 1 71 . 1 1 21 21 LYS CA C 13 56.66 . . . . . . . . 21 LYS CA . 27348 1 72 . 1 1 21 21 LYS N N 15 121.58 . . . . . . . . 21 LYS N . 27348 1 73 . 1 1 22 22 THR C C 13 174.54 . . . . . . . . 22 THR C . 27348 1 74 . 1 1 22 22 THR CA C 13 62.11 . . . . . . . . 22 THR CA . 27348 1 75 . 1 1 22 22 THR N N 15 114.35 . . . . . . . . 22 THR N . 27348 1 76 . 1 1 23 23 LYS C C 13 176.40 . . . . . . . . 23 LYS C . 27348 1 77 . 1 1 23 23 LYS N N 15 123.24 . . . . . . . . 23 LYS N . 27348 1 78 . 1 1 24 24 GLN C C 13 176.37 . . . . . . . . 24 GLN C . 27348 1 79 . 1 1 24 24 GLN CA C 13 56.12 . . . . . . . . 24 GLN CA . 27348 1 80 . 1 1 24 24 GLN N N 15 121.14 . . . . . . . . 24 GLN N . 27348 1 81 . 1 1 25 25 GLY C C 13 174.08 . . . . . . . . 25 GLY C . 27348 1 82 . 1 1 25 25 GLY CA C 13 45.42 . . . . . . . . 25 GLY CA . 27348 1 83 . 1 1 25 25 GLY N N 15 110.13 . . . . . . . . 25 GLY N . 27348 1 84 . 1 1 26 26 VAL H H 1 7.84 . . . . . . . . 26 VAL HN . 27348 1 85 . 1 1 26 26 VAL C C 13 176.03 . . . . . . . . 26 VAL C . 27348 1 86 . 1 1 26 26 VAL CA C 13 62.35 . . . . . . . . 26 VAL CA . 27348 1 87 . 1 1 26 26 VAL N N 15 119.02 . . . . . . . . 26 VAL N . 27348 1 88 . 1 1 27 27 ALA H H 1 8.27 . . . . . . . . 27 ALA HN . 27348 1 89 . 1 1 27 27 ALA C C 13 177.79 . . . . . . . . 27 ALA C . 27348 1 90 . 1 1 27 27 ALA CA C 13 52.69 . . . . . . . . 27 ALA CA . 27348 1 91 . 1 1 27 27 ALA N N 15 127.02 . . . . . . . . 27 ALA N . 27348 1 92 . 1 1 28 28 GLU H H 1 8.23 . . . . . . . . 28 GLU HN . 27348 1 93 . 1 1 28 28 GLU C C 13 176.39 . . . . . . . . 28 GLU C . 27348 1 94 . 1 1 28 28 GLU CA C 13 56.82 . . . . . . . . 28 GLU CA . 27348 1 95 . 1 1 28 28 GLU N N 15 120.13 . . . . . . . . 28 GLU N . 27348 1 96 . 1 1 29 29 ALA H H 1 8.13 . . . . . . . . 29 ALA HN . 27348 1 97 . 1 1 29 29 ALA C C 13 177.45 . . . . . . . . 29 ALA C . 27348 1 98 . 1 1 29 29 ALA CA C 13 52.57 . . . . . . . . 29 ALA CA . 27348 1 99 . 1 1 29 29 ALA N N 15 124.53 . . . . . . . . 29 ALA N . 27348 1 100 . 1 1 30 30 ALA H H 1 8.09 . . . . . . . . 30 ALA HN . 27348 1 101 . 1 1 30 30 ALA C C 13 178.21 . . . . . . . . 30 ALA C . 27348 1 102 . 1 1 30 30 ALA CA C 13 52.73 . . . . . . . . 30 ALA CA . 27348 1 103 . 1 1 30 30 ALA N N 15 122.78 . . . . . . . . 30 ALA N . 27348 1 104 . 1 1 31 31 GLY C C 13 174.13 . . . . . . . . 31 GLY C . 27348 1 105 . 1 1 31 31 GLY CA C 13 45.42 . . . . . . . . 31 GLY CA . 27348 1 106 . 1 1 31 31 GLY N N 15 107.52 . . . . . . . . 31 GLY N . 27348 1 107 . 1 1 32 32 LYS C C 13 176.79 . . . . . . . . 32 LYS C . 27348 1 108 . 1 1 32 32 LYS CA C 13 56.27 . . . . . . . . 32 LYS CA . 27348 1 109 . 1 1 32 32 LYS N N 15 120.48 . . . . . . . . 32 LYS N . 27348 1 110 . 1 1 33 33 THR C C 13 174.50 . . . . . . . . 33 THR C . 27348 1 111 . 1 1 33 33 THR N N 15 114.91 . . . . . . . . 33 THR N . 27348 1 112 . 1 1 34 34 LYS C C 13 176.33 . . . . . . . . 34 LYS C . 27348 1 113 . 1 1 34 34 LYS CA C 13 56.52 . . . . . . . . 34 LYS CA . 27348 1 114 . 1 1 34 34 LYS N N 15 123.26 . . . . . . . . 34 LYS N . 27348 1 115 . 1 1 35 35 GLU H H 1 8.30 . . . . . . . . 35 GLU HN . 27348 1 116 . 1 1 35 35 GLU C C 13 176.81 . . . . . . . . 35 GLU C . 27348 1 117 . 1 1 35 35 GLU CA C 13 56.88 . . . . . . . . 35 GLU CA . 27348 1 118 . 1 1 35 35 GLU N N 15 121.56 . . . . . . . . 35 GLU N . 27348 1 119 . 1 1 36 36 GLY H H 1 8.28 . . . . . . . . 36 GLY HN . 27348 1 120 . 1 1 36 36 GLY C C 13 173.95 . . . . . . . . 36 GLY C . 27348 1 121 . 1 1 36 36 GLY CA C 13 45.40 . . . . . . . . 36 GLY CA . 27348 1 122 . 1 1 36 36 GLY N N 15 109.53 . . . . . . . . 36 GLY N . 27348 1 123 . 1 1 37 37 VAL H H 1 7.91 . . . . . . . . 37 VAL HN . 27348 1 124 . 1 1 37 37 VAL C C 13 175.67 . . . . . . . . 37 VAL C . 27348 1 125 . 1 1 37 37 VAL CA C 13 62.24 . . . . . . . . 37 VAL CA . 27348 1 126 . 1 1 37 37 VAL N N 15 118.94 . . . . . . . . 37 VAL N . 27348 1 127 . 1 1 38 38 LEU H H 1 8.09 . . . . . . . . 38 LEU HN . 27348 1 128 . 1 1 38 38 LEU C C 13 176.50 . . . . . . . . 38 LEU C . 27348 1 129 . 1 1 38 38 LEU CA C 13 55.04 . . . . . . . . 38 LEU CA . 27348 1 130 . 1 1 38 38 LEU N N 15 125.07 . . . . . . . . 38 LEU N . 27348 1 131 . 1 1 39 39 TYR H H 1 8.06 . . . . . . . . 39 TYR HN . 27348 1 132 . 1 1 39 39 TYR C C 13 175.48 . . . . . . . . 39 TYR C . 27348 1 133 . 1 1 39 39 TYR CA C 13 57.67 . . . . . . . . 39 TYR CA . 27348 1 134 . 1 1 39 39 TYR N N 15 121.54 . . . . . . . . 39 TYR N . 27348 1 135 . 1 1 40 40 VAL H H 1 7.92 . . . . . . . . 40 VAL HN . 27348 1 136 . 1 1 40 40 VAL C C 13 176.11 . . . . . . . . 40 VAL C . 27348 1 137 . 1 1 40 40 VAL CA C 13 62.20 . . . . . . . . 40 VAL CA . 27348 1 138 . 1 1 40 40 VAL N N 15 122.05 . . . . . . . . 40 VAL N . 27348 1 139 . 1 1 41 41 GLY C C 13 173.94 . . . . . . . . 41 GLY C . 27348 1 140 . 1 1 41 41 GLY CA C 13 45.27 . . . . . . . . 41 GLY CA . 27348 1 141 . 1 1 41 41 GLY N N 15 111.70 . . . . . . . . 41 GLY N . 27348 1 142 . 1 1 42 42 SER C C 13 174.62 . . . . . . . . 42 SER C . 27348 1 143 . 1 1 42 42 SER CA C 13 58.34 . . . . . . . . 42 SER CA . 27348 1 144 . 1 1 42 42 SER N N 15 115.42 . . . . . . . . 42 SER N . 27348 1 145 . 1 1 43 43 LYS C C 13 176.68 . . . . . . . . 43 LYS C . 27348 1 146 . 1 1 43 43 LYS CA C 13 56.44 . . . . . . . . 43 LYS CA . 27348 1 147 . 1 1 43 43 LYS N N 15 123.05 . . . . . . . . 43 LYS N . 27348 1 148 . 1 1 44 44 THR C C 13 174.55 . . . . . . . . 44 THR C . 27348 1 149 . 1 1 44 44 THR CA C 13 61.81 . . . . . . . . 44 THR CA . 27348 1 150 . 1 1 44 44 THR N N 15 114.68 . . . . . . . . 44 THR N . 27348 1 151 . 1 1 45 45 LYS C C 13 176.40 . . . . . . . . 45 LYS C . 27348 1 152 . 1 1 45 45 LYS CA C 13 56.51 . . . . . . . . 45 LYS CA . 27348 1 153 . 1 1 45 45 LYS N N 15 123.25 . . . . . . . . 45 LYS N . 27348 1 154 . 1 1 46 46 GLU C C 13 176.80 . . . . . . . . 46 GLU C . 27348 1 155 . 1 1 46 46 GLU CA C 13 56.51 . . . . . . . . 46 GLU CA . 27348 1 156 . 1 1 46 46 GLU N N 15 121.17 . . . . . . . . 46 GLU N . 27348 1 157 . 1 1 47 47 GLY H H 1 8.28 . . . . . . . . 47 GLY HN . 27348 1 158 . 1 1 47 47 GLY C C 13 173.83 . . . . . . . . 47 GLY C . 27348 1 159 . 1 1 47 47 GLY CA C 13 45.36 . . . . . . . . 47 GLY CA . 27348 1 160 . 1 1 47 47 GLY N N 15 109.59 . . . . . . . . 47 GLY N . 27348 1 161 . 1 1 48 48 VAL H H 1 7.76 . . . . . . . . 48 VAL HN . 27348 1 162 . 1 1 48 48 VAL C C 13 175.87 . . . . . . . . 48 VAL C . 27348 1 163 . 1 1 48 48 VAL CA C 13 62.21 . . . . . . . . 48 VAL CA . 27348 1 164 . 1 1 48 48 VAL N N 15 119.31 . . . . . . . . 48 VAL N . 27348 1 165 . 1 1 49 49 VAL H H 1 8.08 . . . . . . . . 49 VAL HN . 27348 1 166 . 1 1 49 49 VAL C C 13 175.69 . . . . . . . . 49 VAL C . 27348 1 167 . 1 1 49 49 VAL CA C 13 62.16 . . . . . . . . 49 VAL CA . 27348 1 168 . 1 1 49 49 VAL N N 15 123.79 . . . . . . . . 49 VAL N . 27348 1 169 . 1 1 50 50 HIS C C 13 175.34 . . . . . . . . 50 HIS C . 27348 1 170 . 1 1 50 50 HIS CA C 13 55.88 . . . . . . . . 50 HIS CA . 27348 1 171 . 1 1 50 50 HIS N N 15 123.36 . . . . . . . . 50 HIS N . 27348 1 172 . 1 1 51 51 GLY C C 13 173.74 . . . . . . . . 51 GLY C . 27348 1 173 . 1 1 51 51 GLY CA C 13 45.33 . . . . . . . . 51 GLY CA . 27348 1 174 . 1 1 51 51 GLY N N 15 110.17 . . . . . . . . 51 GLY N . 27348 1 175 . 1 1 52 52 VAL H H 1 7.89 . . . . . . . . 52 VAL HN . 27348 1 176 . 1 1 52 52 VAL C C 13 175.73 . . . . . . . . 52 VAL C . 27348 1 177 . 1 1 52 52 VAL CA C 13 62.00 . . . . . . . . 52 VAL CA . 27348 1 178 . 1 1 52 52 VAL N N 15 118.99 . . . . . . . . 52 VAL N . 27348 1 179 . 1 1 53 53 ALA H H 1 8.30 . . . . . . . . 53 ALA HN . 27348 1 180 . 1 1 53 53 ALA C C 13 177.63 . . . . . . . . 53 ALA C . 27348 1 181 . 1 1 53 53 ALA CA C 13 52.42 . . . . . . . . 53 ALA CA . 27348 1 182 . 1 1 53 53 ALA N N 15 127.39 . . . . . . . . 53 ALA N . 27348 1 183 . 1 1 54 54 THR H H 1 8.02 . . . . . . . . 54 THR HN . 27348 1 184 . 1 1 54 54 THR C C 13 174.46 . . . . . . . . 54 THR C . 27348 1 185 . 1 1 54 54 THR CA C 13 61.76 . . . . . . . . 54 THR CA . 27348 1 186 . 1 1 54 54 THR N N 15 113.87 . . . . . . . . 54 THR N . 27348 1 187 . 1 1 55 55 VAL H H 1 8.01 . . . . . . . . 55 VAL HN . 27348 1 188 . 1 1 55 55 VAL C C 13 175.69 . . . . . . . . 55 VAL C . 27348 1 189 . 1 1 55 55 VAL CA C 13 62.25 . . . . . . . . 55 VAL CA . 27348 1 190 . 1 1 55 55 VAL N N 15 121.96 . . . . . . . . 55 VAL N . 27348 1 191 . 1 1 56 56 ALA H H 1 8.22 . . . . . . . . 56 ALA HN . 27348 1 192 . 1 1 56 56 ALA C C 13 177.56 . . . . . . . . 56 ALA C . 27348 1 193 . 1 1 56 56 ALA CA C 13 52.54 . . . . . . . . 56 ALA CA . 27348 1 194 . 1 1 56 56 ALA N N 15 127.36 . . . . . . . . 56 ALA N . 27348 1 195 . 1 1 57 57 GLU H H 1 8.20 . . . . . . . . 57 GLU HN . 27348 1 196 . 1 1 57 57 GLU C C 13 176.54 . . . . . . . . 57 GLU C . 27348 1 197 . 1 1 57 57 GLU CA C 13 56.73 . . . . . . . . 57 GLU CA . 27348 1 198 . 1 1 57 57 GLU N N 15 120.26 . . . . . . . . 57 GLU N . 27348 1 199 . 1 1 58 58 LYS H H 1 8.23 . . . . . . . . 58 LYS HN . 27348 1 200 . 1 1 58 58 LYS C C 13 176.78 . . . . . . . . 58 LYS C . 27348 1 201 . 1 1 58 58 LYS CA C 13 56.47 . . . . . . . . 58 LYS CA . 27348 1 202 . 1 1 58 58 LYS N N 15 121.94 . . . . . . . . 58 LYS N . 27348 1 203 . 1 1 59 59 THR C C 13 174.55 . . . . . . . . 59 THR C . 27348 1 204 . 1 1 59 59 THR CA C 13 62.03 . . . . . . . . 59 THR CA . 27348 1 205 . 1 1 59 59 THR N N 15 114.88 . . . . . . . . 59 THR N . 27348 1 206 . 1 1 60 60 LYS C C 13 176.47 . . . . . . . . 60 LYS C . 27348 1 207 . 1 1 60 60 LYS CA C 13 56.66 . . . . . . . . 60 LYS CA . 27348 1 208 . 1 1 60 60 LYS N N 15 123.06 . . . . . . . . 60 LYS N . 27348 1 209 . 1 1 61 61 GLU H H 1 8.27 . . . . . . . . 61 GLU HN . 27348 1 210 . 1 1 61 61 GLU C C 13 176.27 . . . . . . . . 61 GLU C . 27348 1 211 . 1 1 61 61 GLU CA C 13 56.77 . . . . . . . . 61 GLU CA . 27348 1 212 . 1 1 61 61 GLU N N 15 121.53 . . . . . . . . 61 GLU N . 27348 1 213 . 1 1 62 62 GLN H H 1 8.24 . . . . . . . . 62 GLN HN . 27348 1 214 . 1 1 62 62 GLN C C 13 175.80 . . . . . . . . 62 GLN C . 27348 1 215 . 1 1 62 62 GLN CA C 13 55.83 . . . . . . . . 62 GLN CA . 27348 1 216 . 1 1 62 62 GLN N N 15 121.11 . . . . . . . . 62 GLN N . 27348 1 217 . 1 1 63 63 VAL H H 1 8.09 . . . . . . . . 63 VAL HN . 27348 1 218 . 1 1 63 63 VAL C C 13 176.14 . . . . . . . . 63 VAL C . 27348 1 219 . 1 1 63 63 VAL CA C 13 62.35 . . . . . . . . 63 VAL CA . 27348 1 220 . 1 1 63 63 VAL N N 15 121.04 . . . . . . . . 63 VAL N . 27348 1 221 . 1 1 64 64 THR C C 13 174.00 . . . . . . . . 64 THR C . 27348 1 222 . 1 1 64 64 THR CA C 13 61.70 . . . . . . . . 64 THR CA . 27348 1 223 . 1 1 64 64 THR N N 15 117.14 . . . . . . . . 64 THR N . 27348 1 224 . 1 1 65 65 ASN C C 13 175.03 . . . . . . . . 65 ASN C . 27348 1 225 . 1 1 65 65 ASN CA C 13 53.16 . . . . . . . . 65 ASN CA . 27348 1 226 . 1 1 65 65 ASN N N 15 121.39 . . . . . . . . 65 ASN N . 27348 1 227 . 1 1 66 66 VAL H H 1 8.04 . . . . . . . . 66 VAL HN . 27348 1 228 . 1 1 66 66 VAL C C 13 176.58 . . . . . . . . 66 VAL C . 27348 1 229 . 1 1 66 66 VAL CA C 13 62.53 . . . . . . . . 66 VAL CA . 27348 1 230 . 1 1 66 66 VAL N N 15 119.98 . . . . . . . . 66 VAL N . 27348 1 231 . 1 1 67 67 GLY C C 13 174.53 . . . . . . . . 67 GLY C . 27348 1 232 . 1 1 67 67 GLY CA C 13 45.39 . . . . . . . . 67 GLY CA . 27348 1 233 . 1 1 67 67 GLY N N 15 112.04 . . . . . . . . 67 GLY N . 27348 1 234 . 1 1 68 68 GLY C C 13 173.67 . . . . . . . . 68 GLY C . 27348 1 235 . 1 1 68 68 GLY CA C 13 45.16 . . . . . . . . 68 GLY CA . 27348 1 236 . 1 1 68 68 GLY N N 15 108.62 . . . . . . . . 68 GLY N . 27348 1 237 . 1 1 69 69 ALA H H 1 8.02 . . . . . . . . 69 ALA HN . 27348 1 238 . 1 1 69 69 ALA C C 13 177.44 . . . . . . . . 69 ALA C . 27348 1 239 . 1 1 69 69 ALA CA C 13 52.31 . . . . . . . . 69 ALA CA . 27348 1 240 . 1 1 69 69 ALA N N 15 123.61 . . . . . . . . 69 ALA N . 27348 1 241 . 1 1 70 70 VAL H H 1 8.00 . . . . . . . . 70 VAL HN . 27348 1 242 . 1 1 70 70 VAL C C 13 176.11 . . . . . . . . 70 VAL C . 27348 1 243 . 1 1 70 70 VAL CA C 13 62.36 . . . . . . . . 70 VAL CA . 27348 1 244 . 1 1 70 70 VAL N N 15 119.54 . . . . . . . . 70 VAL N . 27348 1 245 . 1 1 71 71 VAL H H 1 8.15 . . . . . . . . 71 VAL HN . 27348 1 246 . 1 1 71 71 VAL C C 13 176.09 . . . . . . . . 71 VAL C . 27348 1 247 . 1 1 71 71 VAL CA C 13 62.13 . . . . . . . . 71 VAL CA . 27348 1 248 . 1 1 71 71 VAL N N 15 124.05 . . . . . . . . 71 VAL N . 27348 1 249 . 1 1 72 72 THR H H 1 8.10 . . . . . . . . 72 THR HN . 27348 1 250 . 1 1 72 72 THR C C 13 174.81 . . . . . . . . 72 THR C . 27348 1 251 . 1 1 72 72 THR CA C 13 61.74 . . . . . . . . 72 THR CA . 27348 1 252 . 1 1 72 72 THR N N 15 117.52 . . . . . . . . 72 THR N . 27348 1 253 . 1 1 73 73 GLY C C 13 173.99 . . . . . . . . 73 GLY C . 27348 1 254 . 1 1 73 73 GLY CA C 13 45.37 . . . . . . . . 73 GLY CA . 27348 1 255 . 1 1 73 73 GLY N N 15 110.91 . . . . . . . . 73 GLY N . 27348 1 256 . 1 1 74 74 VAL H H 1 7.75 . . . . . . . . 74 VAL HN . 27348 1 257 . 1 1 74 74 VAL C C 13 176.33 . . . . . . . . 74 VAL C . 27348 1 258 . 1 1 74 74 VAL CA C 13 62.37 . . . . . . . . 74 VAL CA . 27348 1 259 . 1 1 74 74 VAL N N 15 118.94 . . . . . . . . 74 VAL N . 27348 1 260 . 1 1 75 75 THR C C 13 174.04 . . . . . . . . 75 THR C . 27348 1 261 . 1 1 75 75 THR CA C 13 61.84 . . . . . . . . 75 THR CA . 27348 1 262 . 1 1 75 75 THR N N 15 117.57 . . . . . . . . 75 THR N . 27348 1 263 . 1 1 76 76 ALA C C 13 177.40 . . . . . . . . 76 ALA C . 27348 1 264 . 1 1 76 76 ALA CA C 13 52.48 . . . . . . . . 76 ALA CA . 27348 1 265 . 1 1 76 76 ALA N N 15 126.58 . . . . . . . . 76 ALA N . 27348 1 266 . 1 1 77 77 VAL H H 1 7.91 . . . . . . . . 77 VAL HN . 27348 1 267 . 1 1 77 77 VAL C C 13 175.83 . . . . . . . . 77 VAL C . 27348 1 268 . 1 1 77 77 VAL CA C 13 62.23 . . . . . . . . 77 VAL CA . 27348 1 269 . 1 1 77 77 VAL N N 15 118.90 . . . . . . . . 77 VAL N . 27348 1 270 . 1 1 78 78 ALA H H 1 8.18 . . . . . . . . 78 ALA HN . 27348 1 271 . 1 1 78 78 ALA C C 13 177.43 . . . . . . . . 78 ALA C . 27348 1 272 . 1 1 78 78 ALA CA C 13 52.47 . . . . . . . . 78 ALA CA . 27348 1 273 . 1 1 78 78 ALA N N 15 127.18 . . . . . . . . 78 ALA N . 27348 1 274 . 1 1 79 79 GLN H H 1 8.17 . . . . . . . . 79 GLN HN . 27348 1 275 . 1 1 79 79 GLN C C 13 175.78 . . . . . . . . 79 GLN C . 27348 1 276 . 1 1 79 79 GLN CA C 13 55.80 . . . . . . . . 79 GLN CA . 27348 1 277 . 1 1 79 79 GLN N N 15 119.61 . . . . . . . . 79 GLN N . 27348 1 278 . 1 1 80 80 LYS C C 13 176.49 . . . . . . . . 80 LYS C . 27348 1 279 . 1 1 80 80 LYS CA C 13 56.38 . . . . . . . . 80 LYS CA . 27348 1 280 . 1 1 80 80 LYS N N 15 122.41 . . . . . . . . 80 LYS N . 27348 1 281 . 1 1 81 81 THR C C 13 174.35 . . . . . . . . 81 THR C . 27348 1 282 . 1 1 81 81 THR CA C 13 61.78 . . . . . . . . 81 THR CA . 27348 1 283 . 1 1 81 81 THR N N 15 115.85 . . . . . . . . 81 THR N . 27348 1 284 . 1 1 82 82 VAL H H 1 8.08 . . . . . . . . 82 VAL HN . 27348 1 285 . 1 1 82 82 VAL C C 13 175.94 . . . . . . . . 82 VAL C . 27348 1 286 . 1 1 82 82 VAL CA C 13 62.22 . . . . . . . . 82 VAL CA . 27348 1 287 . 1 1 82 82 VAL N N 15 122.05 . . . . . . . . 82 VAL N . 27348 1 288 . 1 1 83 83 GLU H H 1 8.39 . . . . . . . . 83 GLU HN . 27348 1 289 . 1 1 83 83 GLU C C 13 176.87 . . . . . . . . 83 GLU C . 27348 1 290 . 1 1 83 83 GLU CA C 13 56.81 . . . . . . . . 83 GLU CA . 27348 1 291 . 1 1 83 83 GLU N N 15 124.55 . . . . . . . . 83 GLU N . 27348 1 292 . 1 1 84 84 GLY C C 13 174.01 . . . . . . . . 84 GLY C . 27348 1 293 . 1 1 84 84 GLY CA C 13 45.35 . . . . . . . . 84 GLY CA . 27348 1 294 . 1 1 84 84 GLY N N 15 110.20 . . . . . . . . 84 GLY N . 27348 1 295 . 1 1 85 85 ALA C C 13 178.23 . . . . . . . . 85 ALA C . 27348 1 296 . 1 1 85 85 ALA CA C 13 52.75 . . . . . . . . 85 ALA CA . 27348 1 297 . 1 1 85 85 ALA N N 15 123.77 . . . . . . . . 85 ALA N . 27348 1 298 . 1 1 86 86 GLY C C 13 174.23 . . . . . . . . 86 GLY C . 27348 1 299 . 1 1 86 86 GLY CA C 13 45.38 . . . . . . . . 86 GLY CA . 27348 1 300 . 1 1 86 86 GLY N N 15 107.80 . . . . . . . . 86 GLY N . 27348 1 301 . 1 1 87 87 SER C C 13 174.63 . . . . . . . . 87 SER C . 27348 1 302 . 1 1 87 87 SER CA C 13 58.31 . . . . . . . . 87 SER CA . 27348 1 303 . 1 1 87 87 SER N N 15 115.43 . . . . . . . . 87 SER N . 27348 1 304 . 1 1 88 88 ILE H H 1 8.02 . . . . . . . . 88 ILE HN . 27348 1 305 . 1 1 88 88 ILE C C 13 176.04 . . . . . . . . 88 ILE C . 27348 1 306 . 1 1 88 88 ILE CA C 13 61.34 . . . . . . . . 88 ILE CA . 27348 1 307 . 1 1 88 88 ILE N N 15 122.12 . . . . . . . . 88 ILE N . 27348 1 308 . 1 1 89 89 ALA H H 1 8.16 . . . . . . . . 89 ALA HN . 27348 1 309 . 1 1 89 89 ALA C C 13 177.36 . . . . . . . . 89 ALA C . 27348 1 310 . 1 1 89 89 ALA CA C 13 52.57 . . . . . . . . 89 ALA CA . 27348 1 311 . 1 1 89 89 ALA N N 15 127.30 . . . . . . . . 89 ALA N . 27348 1 312 . 1 1 90 90 ALA H H 1 8.00 . . . . . . . . 90 ALA HN . 27348 1 313 . 1 1 90 90 ALA C C 13 177.52 . . . . . . . . 90 ALA C . 27348 1 314 . 1 1 90 90 ALA CA C 13 52.43 . . . . . . . . 90 ALA CA . 27348 1 315 . 1 1 90 90 ALA N N 15 122.81 . . . . . . . . 90 ALA N . 27348 1 316 . 1 1 91 91 ALA H H 1 8.10 . . . . . . . . 91 ALA HN . 27348 1 317 . 1 1 91 91 ALA C C 13 177.90 . . . . . . . . 91 ALA C . 27348 1 318 . 1 1 91 91 ALA CA C 13 52.62 . . . . . . . . 91 ALA CA . 27348 1 319 . 1 1 91 91 ALA N N 15 122.84 . . . . . . . . 91 ALA N . 27348 1 320 . 1 1 92 92 THR H H 1 7.91 . . . . . . . . 92 THR HN . 27348 1 321 . 1 1 92 92 THR C C 13 175.00 . . . . . . . . 92 THR C . 27348 1 322 . 1 1 92 92 THR CA C 13 61.91 . . . . . . . . 92 THR CA . 27348 1 323 . 1 1 92 92 THR N N 15 111.91 . . . . . . . . 92 THR N . 27348 1 324 . 1 1 93 93 GLY C C 13 173.58 . . . . . . . . 93 GLY C . 27348 1 325 . 1 1 93 93 GLY CA C 13 45.29 . . . . . . . . 93 GLY CA . 27348 1 326 . 1 1 93 93 GLY N N 15 110.33 . . . . . . . . 93 GLY N . 27348 1 327 . 1 1 94 94 PHE H H 1 7.95 . . . . . . . . 94 PHE HN . 27348 1 328 . 1 1 94 94 PHE C C 13 175.34 . . . . . . . . 94 PHE C . 27348 1 329 . 1 1 94 94 PHE CA C 13 57.66 . . . . . . . . 94 PHE CA . 27348 1 330 . 1 1 94 94 PHE N N 15 119.98 . . . . . . . . 94 PHE N . 27348 1 331 . 1 1 95 95 VAL H H 1 7.90 . . . . . . . . 95 VAL HN . 27348 1 332 . 1 1 95 95 VAL C C 13 175.47 . . . . . . . . 95 VAL C . 27348 1 333 . 1 1 95 95 VAL CA C 13 62.04 . . . . . . . . 95 VAL CA . 27348 1 334 . 1 1 95 95 VAL N N 15 122.39 . . . . . . . . 95 VAL N . 27348 1 335 . 1 1 96 96 LYS H H 1 8.20 . . . . . . . . 96 LYS HN . 27348 1 336 . 1 1 96 96 LYS C C 13 176.35 . . . . . . . . 96 LYS C . 27348 1 337 . 1 1 96 96 LYS CA C 13 56.26 . . . . . . . . 96 LYS CA . 27348 1 338 . 1 1 96 96 LYS N N 15 125.54 . . . . . . . . 96 LYS N . 27348 1 339 . 1 1 97 97 LYS C C 13 176.23 . . . . . . . . 97 LYS C . 27348 1 340 . 1 1 97 97 LYS CA C 13 56.63 . . . . . . . . 97 LYS CA . 27348 1 341 . 1 1 97 97 LYS N N 15 123.10 . . . . . . . . 97 LYS N . 27348 1 342 . 1 1 98 98 ASP H H 1 8.26 . . . . . . . . 98 ASP HN . 27348 1 343 . 1 1 98 98 ASP C C 13 176.11 . . . . . . . . 98 ASP C . 27348 1 344 . 1 1 98 98 ASP CA C 13 54.49 . . . . . . . . 98 ASP CA . 27348 1 345 . 1 1 98 98 ASP N N 15 120.68 . . . . . . . . 98 ASP N . 27348 1 346 . 1 1 99 99 GLN H H 1 8.17 . . . . . . . . 99 GLN HN . 27348 1 347 . 1 1 99 99 GLN C C 13 175.86 . . . . . . . . 99 GLN C . 27348 1 348 . 1 1 99 99 GLN CA C 13 55.88 . . . . . . . . 99 GLN CA . 27348 1 349 . 1 1 99 99 GLN N N 15 119.75 . . . . . . . . 99 GLN N . 27348 1 350 . 1 1 100 100 LEU H H 1 8.10 . . . . . . . . 100 LEU HN . 27348 1 351 . 1 1 100 100 LEU C C 13 177.79 . . . . . . . . 100 LEU C . 27348 1 352 . 1 1 100 100 LEU CA C 13 55.43 . . . . . . . . 100 LEU CA . 27348 1 353 . 1 1 100 100 LEU N N 15 122.42 . . . . . . . . 100 LEU N . 27348 1 354 . 1 1 101 101 GLY H H 1 8.32 . . . . . . . . 101 GLY HN . 27348 1 355 . 1 1 101 101 GLY C C 13 174.40 . . . . . . . . 101 GLY C . 27348 1 356 . 1 1 101 101 GLY CA C 13 45.38 . . . . . . . . 101 GLY CA . 27348 1 357 . 1 1 101 101 GLY N N 15 109.38 . . . . . . . . 101 GLY N . 27348 1 358 . 1 1 102 102 LYS H H 1 8.04 . . . . . . . . 102 LYS HN . 27348 1 359 . 1 1 102 102 LYS C C 13 176.27 . . . . . . . . 102 LYS C . 27348 1 360 . 1 1 102 102 LYS CA C 13 56.22 . . . . . . . . 102 LYS CA . 27348 1 361 . 1 1 102 102 LYS N N 15 120.50 . . . . . . . . 102 LYS N . 27348 1 362 . 1 1 103 103 ASN C C 13 175.10 . . . . . . . . 103 ASN C . 27348 1 363 . 1 1 103 103 ASN CA C 13 53.33 . . . . . . . . 103 ASN CA . 27348 1 364 . 1 1 103 103 ASN N N 15 119.74 . . . . . . . . 103 ASN N . 27348 1 365 . 1 1 104 104 GLU H H 1 8.31 . . . . . . . . 104 GLU HN . 27348 1 366 . 1 1 104 104 GLU C C 13 176.37 . . . . . . . . 104 GLU C . 27348 1 367 . 1 1 104 104 GLU CA C 13 56.70 . . . . . . . . 104 GLU CA . 27348 1 368 . 1 1 104 104 GLU N N 15 121.22 . . . . . . . . 104 GLU N . 27348 1 369 . 1 1 105 105 GLU H H 1 8.30 . . . . . . . . 105 GLU HN . 27348 1 370 . 1 1 105 105 GLU C C 13 176.86 . . . . . . . . 105 GLU C . 27348 1 371 . 1 1 105 105 GLU CA C 13 56.70 . . . . . . . . 105 GLU CA . 27348 1 372 . 1 1 105 105 GLU N N 15 121.22 . . . . . . . . 105 GLU N . 27348 1 373 . 1 1 106 106 GLY H H 1 8.26 . . . . . . . . 106 GLY HN . 27348 1 374 . 1 1 106 106 GLY C C 13 173.32 . . . . . . . . 106 GLY C . 27348 1 375 . 1 1 106 106 GLY CA C 13 45.09 . . . . . . . . 106 GLY CA . 27348 1 376 . 1 1 106 106 GLY N N 15 109.75 . . . . . . . . 106 GLY N . 27348 1 377 . 1 1 107 107 ALA H H 1 7.98 . . . . . . . . 107 ALA HN . 27348 1 378 . 1 1 107 107 ALA C C 13 175.48 . . . . . . . . 107 ALA C . 27348 1 379 . 1 1 107 107 ALA CA C 13 50.40 . . . . . . . . 107 ALA CA . 27348 1 380 . 1 1 107 107 ALA N N 15 124.71 . . . . . . . . 107 ALA N . 27348 1 381 . 1 1 108 108 PRO C C 13 176.97 . . . . . . . . 108 PRO C . 27348 1 382 . 1 1 108 108 PRO CA C 13 63.13 . . . . . . . . 108 PRO CA . 27348 1 383 . 1 1 108 108 PRO N N 15 135.75 . . . . . . . . 108 PRO N . 27348 1 384 . 1 1 109 109 GLN H H 1 8.39 . . . . . . . . 109 GLN HN . 27348 1 385 . 1 1 109 109 GLN C C 13 175.85 . . . . . . . . 109 GLN C . 27348 1 386 . 1 1 109 109 GLN CA C 13 55.81 . . . . . . . . 109 GLN CA . 27348 1 387 . 1 1 109 109 GLN N N 15 120.56 . . . . . . . . 109 GLN N . 27348 1 388 . 1 1 110 110 GLU H H 1 8.33 . . . . . . . . 110 GLU HN . 27348 1 389 . 1 1 110 110 GLU C C 13 176.73 . . . . . . . . 110 GLU C . 27348 1 390 . 1 1 110 110 GLU CA C 13 56.69 . . . . . . . . 110 GLU CA . 27348 1 391 . 1 1 110 110 GLU N N 15 121.84 . . . . . . . . 110 GLU N . 27348 1 392 . 1 1 111 111 GLY H H 1 8.32 . . . . . . . . 111 GLY HN . 27348 1 393 . 1 1 111 111 GLY C C 13 173.75 . . . . . . . . 111 GLY C . 27348 1 394 . 1 1 111 111 GLY CA C 13 45.36 . . . . . . . . 111 GLY CA . 27348 1 395 . 1 1 111 111 GLY N N 15 109.76 . . . . . . . . 111 GLY N . 27348 1 396 . 1 1 112 112 ILE H H 1 7.82 . . . . . . . . 112 ILE HN . 27348 1 397 . 1 1 112 112 ILE C C 13 176.00 . . . . . . . . 112 ILE C . 27348 1 398 . 1 1 112 112 ILE CA C 13 60.95 . . . . . . . . 112 ILE CA . 27348 1 399 . 1 1 112 112 ILE N N 15 119.62 . . . . . . . . 112 ILE N . 27348 1 400 . 1 1 113 113 LEU H H 1 8.20 . . . . . . . . 113 LEU HN . 27348 1 401 . 1 1 113 113 LEU C C 13 176.98 . . . . . . . . 113 LEU C . 27348 1 402 . 1 1 113 113 LEU CA C 13 55.03 . . . . . . . . 113 LEU CA . 27348 1 403 . 1 1 113 113 LEU N N 15 126.15 . . . . . . . . 113 LEU N . 27348 1 404 . 1 1 114 114 GLU H H 1 8.24 . . . . . . . . 114 GLU HN . 27348 1 405 . 1 1 114 114 GLU C C 13 175.75 . . . . . . . . 114 GLU C . 27348 1 406 . 1 1 114 114 GLU CA C 13 56.55 . . . . . . . . 114 GLU CA . 27348 1 407 . 1 1 114 114 GLU N N 15 121.72 . . . . . . . . 114 GLU N . 27348 1 408 . 1 1 115 115 ASP H H 1 8.19 . . . . . . . . 115 ASP HN . 27348 1 409 . 1 1 115 115 ASP C C 13 175.57 . . . . . . . . 115 ASP C . 27348 1 410 . 1 1 115 115 ASP CA C 13 54.19 . . . . . . . . 115 ASP CA . 27348 1 411 . 1 1 115 115 ASP N N 15 120.91 . . . . . . . . 115 ASP N . 27348 1 412 . 1 1 116 116 MET H H 1 8.05 . . . . . . . . 116 MET HN . 27348 1 413 . 1 1 116 116 MET C C 13 173.92 . . . . . . . . 116 MET C . 27348 1 414 . 1 1 116 116 MET CA C 13 53.21 . . . . . . . . 116 MET CA . 27348 1 415 . 1 1 116 116 MET N N 15 121.45 . . . . . . . . 116 MET N . 27348 1 416 . 1 1 117 117 PRO C C 13 176.56 . . . . . . . . 117 PRO C . 27348 1 417 . 1 1 117 117 PRO CA C 13 62.93 . . . . . . . . 117 PRO CA . 27348 1 418 . 1 1 117 117 PRO N N 15 137.16 . . . . . . . . 117 PRO N . 27348 1 419 . 1 1 118 118 VAL H H 1 8.04 . . . . . . . . 118 VAL HN . 27348 1 420 . 1 1 118 118 VAL C C 13 175.49 . . . . . . . . 118 VAL C . 27348 1 421 . 1 1 118 118 VAL CA C 13 61.85 . . . . . . . . 118 VAL CA . 27348 1 422 . 1 1 118 118 VAL N N 15 119.94 . . . . . . . . 118 VAL N . 27348 1 423 . 1 1 119 119 ASP H H 1 8.27 . . . . . . . . 119 ASP HN . 27348 1 424 . 1 1 119 119 ASP C C 13 174.61 . . . . . . . . 119 ASP C . 27348 1 425 . 1 1 119 119 ASP CA C 13 52.05 . . . . . . . . 119 ASP CA . 27348 1 426 . 1 1 119 119 ASP N N 15 125.04 . . . . . . . . 119 ASP N . 27348 1 427 . 1 1 120 120 PRO C C 13 176.86 . . . . . . . . 120 PRO C . 27348 1 428 . 1 1 120 120 PRO CA C 13 63.55 . . . . . . . . 120 PRO CA . 27348 1 429 . 1 1 120 120 PRO N N 15 136.18 . . . . . . . . 120 PRO N . 27348 1 430 . 1 1 121 121 ASP H H 1 8.25 . . . . . . . . 121 ASP HN . 27348 1 431 . 1 1 121 121 ASP C C 13 176.11 . . . . . . . . 121 ASP C . 27348 1 432 . 1 1 121 121 ASP CA C 13 54.57 . . . . . . . . 121 ASP CA . 27348 1 433 . 1 1 121 121 ASP N N 15 119.08 . . . . . . . . 121 ASP N . 27348 1 434 . 1 1 122 122 ASN H H 1 8.01 . . . . . . . . 122 ASN HN . 27348 1 435 . 1 1 122 122 ASN C C 13 175.23 . . . . . . . . 122 ASN C . 27348 1 436 . 1 1 122 122 ASN CA C 13 53.49 . . . . . . . . 122 ASN CA . 27348 1 437 . 1 1 122 122 ASN N N 15 118.72 . . . . . . . . 122 ASN N . 27348 1 438 . 1 1 123 123 GLU H H 1 8.24 . . . . . . . . 123 GLU HN . 27348 1 439 . 1 1 123 123 GLU C C 13 175.96 . . . . . . . . 123 GLU C . 27348 1 440 . 1 1 123 123 GLU CA C 13 56.87 . . . . . . . . 123 GLU CA . 27348 1 441 . 1 1 123 123 GLU N N 15 121.37 . . . . . . . . 123 GLU N . 27348 1 442 . 1 1 124 124 ALA H H 1 8.06 . . . . . . . . 124 ALA HN . 27348 1 443 . 1 1 124 124 ALA C C 13 177.06 . . . . . . . . 124 ALA C . 27348 1 444 . 1 1 124 124 ALA CA C 13 52.35 . . . . . . . . 124 ALA CA . 27348 1 445 . 1 1 124 124 ALA N N 15 123.97 . . . . . . . . 124 ALA N . 27348 1 446 . 1 1 125 125 TYR H H 1 7.85 . . . . . . . . 125 TYR HN . 27348 1 447 . 1 1 125 125 TYR C C 13 175.28 . . . . . . . . 125 TYR C . 27348 1 448 . 1 1 125 125 TYR CA C 13 57.61 . . . . . . . . 125 TYR CA . 27348 1 449 . 1 1 125 125 TYR N N 15 119.27 . . . . . . . . 125 TYR N . 27348 1 450 . 1 1 126 126 GLU H H 1 8.02 . . . . . . . . 126 GLU HN . 27348 1 451 . 1 1 126 126 GLU C C 13 175.46 . . . . . . . . 126 GLU C . 27348 1 452 . 1 1 126 126 GLU CA C 13 55.87 . . . . . . . . 126 GLU CA . 27348 1 453 . 1 1 126 126 GLU N N 15 122.90 . . . . . . . . 126 GLU N . 27348 1 454 . 1 1 127 127 MET H H 1 8.21 . . . . . . . . 127 MET HN . 27348 1 455 . 1 1 127 127 MET C C 13 174.08 . . . . . . . . 127 MET C . 27348 1 456 . 1 1 127 127 MET CA C 13 53.25 . . . . . . . . 127 MET CA . 27348 1 457 . 1 1 127 127 MET N N 15 123.08 . . . . . . . . 127 MET N . 27348 1 458 . 1 1 128 128 PRO C C 13 176.80 . . . . . . . . 128 PRO C . 27348 1 459 . 1 1 128 128 PRO CA C 13 63.11 . . . . . . . . 128 PRO CA . 27348 1 460 . 1 1 128 128 PRO N N 15 137.36 . . . . . . . . 128 PRO N . 27348 1 461 . 1 1 129 129 SER H H 1 8.27 . . . . . . . . 129 SER HN . 27348 1 462 . 1 1 129 129 SER C C 13 174.67 . . . . . . . . 129 SER C . 27348 1 463 . 1 1 129 129 SER CA C 13 58.21 . . . . . . . . 129 SER CA . 27348 1 464 . 1 1 129 129 SER N N 15 116.14 . . . . . . . . 129 SER N . 27348 1 465 . 1 1 130 130 GLU H H 1 8.40 . . . . . . . . 130 GLU HN . 27348 1 466 . 1 1 130 130 GLU C C 13 176.40 . . . . . . . . 130 GLU C . 27348 1 467 . 1 1 130 130 GLU CA C 13 56.64 . . . . . . . . 130 GLU CA . 27348 1 468 . 1 1 130 130 GLU N N 15 122.75 . . . . . . . . 130 GLU N . 27348 1 469 . 1 1 131 131 GLU H H 1 8.31 . . . . . . . . 131 GLU HN . 27348 1 470 . 1 1 131 131 GLU C C 13 176.82 . . . . . . . . 131 GLU C . 27348 1 471 . 1 1 131 131 GLU CA C 13 56.85 . . . . . . . . 131 GLU CA . 27348 1 472 . 1 1 131 131 GLU N N 15 121.46 . . . . . . . . 131 GLU N . 27348 1 473 . 1 1 132 132 GLY H H 1 8.23 . . . . . . . . 132 GLY HN . 27348 1 474 . 1 1 132 132 GLY C C 13 173.77 . . . . . . . . 132 GLY C . 27348 1 475 . 1 1 132 132 GLY CA C 13 45.26 . . . . . . . . 132 GLY CA . 27348 1 476 . 1 1 132 132 GLY N N 15 109.38 . . . . . . . . 132 GLY N . 27348 1 477 . 1 1 133 133 TYR H H 1 7.90 . . . . . . . . 133 TYR HN . 27348 1 478 . 1 1 133 133 TYR C C 13 175.63 . . . . . . . . 133 TYR C . 27348 1 479 . 1 1 133 133 TYR CA C 13 57.96 . . . . . . . . 133 TYR CA . 27348 1 480 . 1 1 133 133 TYR N N 15 119.94 . . . . . . . . 133 TYR N . 27348 1 481 . 1 1 134 134 GLN H H 1 8.11 . . . . . . . . 134 GLN HN . 27348 1 482 . 1 1 134 134 GLN C C 13 174.92 . . . . . . . . 134 GLN C . 27348 1 483 . 1 1 134 134 GLN CA C 13 55.62 . . . . . . . . 134 GLN CA . 27348 1 484 . 1 1 134 134 GLN N N 15 122.01 . . . . . . . . 134 GLN N . 27348 1 485 . 1 1 135 135 ASP H H 1 8.10 . . . . . . . . 135 ASP HN . 27348 1 486 . 1 1 135 135 ASP C C 13 175.36 . . . . . . . . 135 ASP C . 27348 1 487 . 1 1 135 135 ASP CA C 13 54.24 . . . . . . . . 135 ASP CA . 27348 1 488 . 1 1 135 135 ASP N N 15 121.33 . . . . . . . . 135 ASP N . 27348 1 489 . 1 1 136 136 TYR H H 1 7.88 . . . . . . . . 136 TYR HN . 27348 1 490 . 1 1 136 136 TYR C C 13 174.88 . . . . . . . . 136 TYR C . 27348 1 491 . 1 1 136 136 TYR CA C 13 57.50 . . . . . . . . 136 TYR CA . 27348 1 492 . 1 1 136 136 TYR N N 15 120.12 . . . . . . . . 136 TYR N . 27348 1 493 . 1 1 137 137 GLU H H 1 8.07 . . . . . . . . 137 GLU HN . 27348 1 494 . 1 1 137 137 GLU C C 13 173.73 . . . . . . . . 137 GLU C . 27348 1 495 . 1 1 137 137 GLU CA C 13 53.67 . . . . . . . . 137 GLU CA . 27348 1 496 . 1 1 137 137 GLU N N 15 124.85 . . . . . . . . 137 GLU N . 27348 1 497 . 1 1 138 138 PRO C C 13 176.76 . . . . . . . . 138 PRO C . 27348 1 498 . 1 1 138 138 PRO CA C 13 62.99 . . . . . . . . 138 PRO CA . 27348 1 499 . 1 1 138 138 PRO N N 15 136.64 . . . . . . . . 138 PRO N . 27348 1 500 . 1 1 139 139 GLU H H 1 8.34 . . . . . . . . 139 GLU HN . 27348 1 501 . 1 1 139 139 GLU C C 13 175.19 . . . . . . . . 139 GLU C . 27348 1 502 . 1 1 139 139 GLU CA C 13 56.59 . . . . . . . . 139 GLU CA . 27348 1 503 . 1 1 139 139 GLU N N 15 121.15 . . . . . . . . 139 GLU N . 27348 1 504 . 1 1 140 140 ALA H H 1 7.79 . . . . . . . . 140 ALA HN . 27348 1 505 . 1 1 140 140 ALA N N 15 130.48 . . . . . . . . 140 ALA N . 27348 1 stop_ save_