data_27796 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27796 _Entry.Title ; Chemical Shift Assignments for native alpha-synuclein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-21 _Entry.Accession_date 2019-02-21 _Entry.Last_release_date 2019-02-21 _Entry.Original_release_date 2019-02-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 Laura Marino . . . . 27796 2 Miquel Adrover . . . . 27796 3 Bartolom Vilanova . . . . 27796 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of the Balearic Islands' . 27796 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27796 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 27796 '15N chemical shifts' 133 27796 '1H chemical shifts' 284 27796 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 . . 2020-07-24 . original BMRB . 27796 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18857 'alpha-synuclein at different pH and temperature' 27796 BMRB 27797 'alpha-synuclein homogeneously modified with CEL' 27796 BMRB 6968 'intrinsically disordered alpha-synuclein' 27796 PDB 6FLT 'Structure of alpha-synuclein fibrils' 27796 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 27796 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1039/D0SC00906G _Citation.Full_citation . _Citation.Title ; Unravelling the effect of N(epsilon)-(carboxyethyl)lysine on the conformation, dynamics and aggregation propensity of alpha-synuclein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Sci.' _Citation.Journal_name_full 'Chemical Science' _Citation.Journal_volume 11 _Citation.Journal_issue 12 _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 3332 _Citation.Page_last 3344 _Citation.Year 2020 _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 Laura Marino . . . . 27796 1 2 Rafael Ramis . . . . 27796 1 3 Rodrigo Casasnovas . . . . 27796 1 4 Joaquin Ortega-Castro . . . . 27796 1 5 Bartolome Vilanova . . . . 27796 1 6 Juan Frau . . . . 27796 1 7 Miquel Adrover . . . . 27796 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Aggregation 27796 1 Alpha-synuclein 27796 1 Conformation 27796 1 Glycation 27796 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 27796 _Assembly.ID 1 _Assembly.Name 'aS native' _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 . _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 alpha-synuclein 1 $aS A . yes 'intrinsically disordered' no no . . . 27796 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_aS _Entity.Sf_category entity _Entity.Sf_framecode aS _Entity.Entry_ID 27796 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name aS _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 . _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 . 27796 1 2 . ASP . 27796 1 3 . VAL . 27796 1 4 . PHE . 27796 1 5 . MET . 27796 1 6 . LYS . 27796 1 7 . GLY . 27796 1 8 . LEU . 27796 1 9 . SER . 27796 1 10 . LYS . 27796 1 11 . ALA . 27796 1 12 . LYS . 27796 1 13 . GLU . 27796 1 14 . GLY . 27796 1 15 . VAL . 27796 1 16 . VAL . 27796 1 17 . ALA . 27796 1 18 . ALA . 27796 1 19 . ALA . 27796 1 20 . GLU . 27796 1 21 . LYS . 27796 1 22 . THR . 27796 1 23 . LYS . 27796 1 24 . GLN . 27796 1 25 . GLY . 27796 1 26 . VAL . 27796 1 27 . ALA . 27796 1 28 . GLU . 27796 1 29 . ALA . 27796 1 30 . ALA . 27796 1 31 . GLY . 27796 1 32 . LYS . 27796 1 33 . THR . 27796 1 34 . LYS . 27796 1 35 . GLU . 27796 1 36 . GLY . 27796 1 37 . VAL . 27796 1 38 . LEU . 27796 1 39 . TYR . 27796 1 40 . VAL . 27796 1 41 . GLY . 27796 1 42 . SER . 27796 1 43 . LYS . 27796 1 44 . THR . 27796 1 45 . LYS . 27796 1 46 . GLU . 27796 1 47 . GLY . 27796 1 48 . VAL . 27796 1 49 . VAL . 27796 1 50 . HIS . 27796 1 51 . GLY . 27796 1 52 . VAL . 27796 1 53 . ALA . 27796 1 54 . THR . 27796 1 55 . VAL . 27796 1 56 . ALA . 27796 1 57 . GLU . 27796 1 58 . LYS . 27796 1 59 . THR . 27796 1 60 . LYS . 27796 1 61 . GLU . 27796 1 62 . GLN . 27796 1 63 . VAL . 27796 1 64 . THR . 27796 1 65 . ASN . 27796 1 66 . VAL . 27796 1 67 . GLY . 27796 1 68 . GLY . 27796 1 69 . ALA . 27796 1 70 . VAL . 27796 1 71 . VAL . 27796 1 72 . THR . 27796 1 73 . GLY . 27796 1 74 . VAL . 27796 1 75 . THR . 27796 1 76 . ALA . 27796 1 77 . VAL . 27796 1 78 . ALA . 27796 1 79 . GLN . 27796 1 80 . LYS . 27796 1 81 . THR . 27796 1 82 . VAL . 27796 1 83 . GLU . 27796 1 84 . GLY . 27796 1 85 . ALA . 27796 1 86 . GLY . 27796 1 87 . SER . 27796 1 88 . ILE . 27796 1 89 . ALA . 27796 1 90 . ALA . 27796 1 91 . ALA . 27796 1 92 . THR . 27796 1 93 . GLY . 27796 1 94 . PHE . 27796 1 95 . VAL . 27796 1 96 . LYS . 27796 1 97 . LYS . 27796 1 98 . ASP . 27796 1 99 . GLN . 27796 1 100 . LEU . 27796 1 101 . GLY . 27796 1 102 . LYS . 27796 1 103 . ASN . 27796 1 104 . GLU . 27796 1 105 . GLU . 27796 1 106 . GLY . 27796 1 107 . ALA . 27796 1 108 . PRO . 27796 1 109 . GLN . 27796 1 110 . GLU . 27796 1 111 . GLY . 27796 1 112 . ILE . 27796 1 113 . LEU . 27796 1 114 . GLU . 27796 1 115 . ASP . 27796 1 116 . MET . 27796 1 117 . PRO . 27796 1 118 . VAL . 27796 1 119 . ASP . 27796 1 120 . PRO . 27796 1 121 . ASP . 27796 1 122 . ASN . 27796 1 123 . GLU . 27796 1 124 . ALA . 27796 1 125 . TYR . 27796 1 126 . GLU . 27796 1 127 . MET . 27796 1 128 . PRO . 27796 1 129 . SER . 27796 1 130 . GLU . 27796 1 131 . GLU . 27796 1 132 . GLY . 27796 1 133 . TYR . 27796 1 134 . GLN . 27796 1 135 . ASP . 27796 1 136 . TYR . 27796 1 137 . GLU . 27796 1 138 . PRO . 27796 1 139 . GLU . 27796 1 140 . ALA . 27796 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 27796 1 . ASP 2 2 27796 1 . VAL 3 3 27796 1 . PHE 4 4 27796 1 . MET 5 5 27796 1 . LYS 6 6 27796 1 . GLY 7 7 27796 1 . LEU 8 8 27796 1 . SER 9 9 27796 1 . LYS 10 10 27796 1 . ALA 11 11 27796 1 . LYS 12 12 27796 1 . GLU 13 13 27796 1 . GLY 14 14 27796 1 . VAL 15 15 27796 1 . VAL 16 16 27796 1 . ALA 17 17 27796 1 . ALA 18 18 27796 1 . ALA 19 19 27796 1 . GLU 20 20 27796 1 . LYS 21 21 27796 1 . THR 22 22 27796 1 . LYS 23 23 27796 1 . GLN 24 24 27796 1 . GLY 25 25 27796 1 . VAL 26 26 27796 1 . ALA 27 27 27796 1 . GLU 28 28 27796 1 . ALA 29 29 27796 1 . ALA 30 30 27796 1 . GLY 31 31 27796 1 . LYS 32 32 27796 1 . THR 33 33 27796 1 . LYS 34 34 27796 1 . GLU 35 35 27796 1 . GLY 36 36 27796 1 . VAL 37 37 27796 1 . LEU 38 38 27796 1 . TYR 39 39 27796 1 . VAL 40 40 27796 1 . GLY 41 41 27796 1 . SER 42 42 27796 1 . LYS 43 43 27796 1 . THR 44 44 27796 1 . LYS 45 45 27796 1 . GLU 46 46 27796 1 . GLY 47 47 27796 1 . VAL 48 48 27796 1 . VAL 49 49 27796 1 . HIS 50 50 27796 1 . GLY 51 51 27796 1 . VAL 52 52 27796 1 . ALA 53 53 27796 1 . THR 54 54 27796 1 . VAL 55 55 27796 1 . ALA 56 56 27796 1 . GLU 57 57 27796 1 . LYS 58 58 27796 1 . THR 59 59 27796 1 . LYS 60 60 27796 1 . GLU 61 61 27796 1 . GLN 62 62 27796 1 . VAL 63 63 27796 1 . THR 64 64 27796 1 . ASN 65 65 27796 1 . VAL 66 66 27796 1 . GLY 67 67 27796 1 . GLY 68 68 27796 1 . ALA 69 69 27796 1 . VAL 70 70 27796 1 . VAL 71 71 27796 1 . THR 72 72 27796 1 . GLY 73 73 27796 1 . VAL 74 74 27796 1 . THR 75 75 27796 1 . ALA 76 76 27796 1 . VAL 77 77 27796 1 . ALA 78 78 27796 1 . GLN 79 79 27796 1 . LYS 80 80 27796 1 . THR 81 81 27796 1 . VAL 82 82 27796 1 . GLU 83 83 27796 1 . GLY 84 84 27796 1 . ALA 85 85 27796 1 . GLY 86 86 27796 1 . SER 87 87 27796 1 . ILE 88 88 27796 1 . ALA 89 89 27796 1 . ALA 90 90 27796 1 . ALA 91 91 27796 1 . THR 92 92 27796 1 . GLY 93 93 27796 1 . PHE 94 94 27796 1 . VAL 95 95 27796 1 . LYS 96 96 27796 1 . LYS 97 97 27796 1 . ASP 98 98 27796 1 . GLN 99 99 27796 1 . LEU 100 100 27796 1 . GLY 101 101 27796 1 . LYS 102 102 27796 1 . ASN 103 103 27796 1 . GLU 104 104 27796 1 . GLU 105 105 27796 1 . GLY 106 106 27796 1 . ALA 107 107 27796 1 . PRO 108 108 27796 1 . GLN 109 109 27796 1 . GLU 110 110 27796 1 . GLY 111 111 27796 1 . ILE 112 112 27796 1 . LEU 113 113 27796 1 . GLU 114 114 27796 1 . ASP 115 115 27796 1 . MET 116 116 27796 1 . PRO 117 117 27796 1 . VAL 118 118 27796 1 . ASP 119 119 27796 1 . PRO 120 120 27796 1 . ASP 121 121 27796 1 . ASN 122 122 27796 1 . GLU 123 123 27796 1 . ALA 124 124 27796 1 . TYR 125 125 27796 1 . GLU 126 126 27796 1 . MET 127 127 27796 1 . PRO 128 128 27796 1 . SER 129 129 27796 1 . GLU 130 130 27796 1 . GLU 131 131 27796 1 . GLY 132 132 27796 1 . TYR 133 133 27796 1 . GLN 134 134 27796 1 . ASP 135 135 27796 1 . TYR 136 136 27796 1 . GLU 137 137 27796 1 . PRO 138 138 27796 1 . GLU 139 139 27796 1 . ALA 140 140 27796 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 27796 _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 $aS . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27796 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 27796 _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 $aS . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pT7-7 . . . 27796 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27796 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM sodium phosphate with 150mM NaCl 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 aS '[U-99% 13C; U-99% 15N]' . . 1 $aS . . 220 . . uM . . . . 27796 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27796 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 27796 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 27796 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.180 . M 27796 1 pH 6.5 . pH 27796 1 pressure 1 . atm 27796 1 temperature 285.5 . K 27796 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27796 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27796 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27796 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27796 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27796 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27796 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 27796 _Software.ID 3 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 27796 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27796 3 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 27796 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 27796 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27796 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 27796 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27796 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27796 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27796 1 4 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27796 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27796 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 27796 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27796 1 H 1 water protons . . . . ppm 4.892 internal direct 1.000000000 . . . . . 27796 1 N 15 water protons . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27796 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_aS _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_aS _Assigned_chem_shift_list.Entry_ID 27796 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27796 1 2 '3D HNCO' . . . 27796 1 3 '3D HNCACB' . . . 27796 1 4 '3D HNHA' . . . 27796 1 5 '2D 1H-1H TOCSY' . . . 27796 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 ASP C C 13 175.8 0.02 . 1 . . . . . 2 ASP C . 27796 1 2 . 1 . 1 2 2 ASP CA C 13 54.305 0.02 . 1 . . . . . 2 ASP CA . 27796 1 3 . 1 . 1 2 2 ASP CB C 13 41.536 0.02 . 1 . . . . . 2 ASP CB . 27796 1 4 . 1 . 1 3 3 VAL H H 1 8.301 0.01 . 1 . . . . . 3 VAL HN . 27796 1 5 . 1 . 1 3 3 VAL HA H 1 4.016 0.01 . 1 . . . . . 3 VAL HA . 27796 1 6 . 1 . 1 3 3 VAL C C 13 175.894 0.02 . 1 . . . . . 3 VAL C . 27796 1 7 . 1 . 1 3 3 VAL CA C 13 62.459 0.02 . 1 . . . . . 3 VAL CA . 27796 1 8 . 1 . 1 3 3 VAL CB C 13 32.589 0.02 . 1 . . . . . 3 VAL CB . 27796 1 9 . 1 . 1 3 3 VAL N N 15 120.583 0.02 . 1 . . . . . 3 VAL N . 27796 1 10 . 1 . 1 4 4 PHE H H 1 8.394 0.01 . 1 . . . . . 4 PHE HN . 27796 1 11 . 1 . 1 4 4 PHE HA H 1 4.591 0.01 . 1 . . . . . 4 PHE HA . 27796 1 12 . 1 . 1 4 4 PHE C C 13 175.759 0.02 . 1 . . . . . 4 PHE C . 27796 1 13 . 1 . 1 4 4 PHE CA C 13 57.997 0.02 . 1 . . . . . 4 PHE CA . 27796 1 14 . 1 . 1 4 4 PHE CB C 13 39.305 0.02 . 1 . . . . . 4 PHE CB . 27796 1 15 . 1 . 1 4 4 PHE N N 15 123.786 0.02 . 1 . . . . . 4 PHE N . 27796 1 16 . 1 . 1 5 5 MET H H 1 8.252 0.01 . 1 . . . . . 5 MET HN . 27796 1 17 . 1 . 1 5 5 MET HA H 1 4.377 0.01 . 1 . . . . . 5 MET HA . 27796 1 18 . 1 . 1 5 5 MET C C 13 175.912 0.02 . 1 . . . . . 5 MET C . 27796 1 19 . 1 . 1 5 5 MET CA C 13 55.382 0.02 . 1 . . . . . 5 MET CA . 27796 1 20 . 1 . 1 5 5 MET CB C 13 32.767 0.02 . 1 . . . . . 5 MET CB . 27796 1 21 . 1 . 1 5 5 MET N N 15 122.483 0.02 . 1 . . . . . 5 MET N . 27796 1 22 . 1 . 1 6 6 LYS H H 1 8.314 0.01 . 1 . . . . . 6 LYS HN . 27796 1 23 . 1 . 1 6 6 LYS HA H 1 4.283 0.01 . 1 . . . . . 6 LYS HA . 27796 1 24 . 1 . 1 6 6 LYS C C 13 177.147 0.02 . 1 . . . . . 6 LYS C . 27796 1 25 . 1 . 1 6 6 LYS CA C 13 56.997 0.02 . 1 . . . . . 6 LYS CA . 27796 1 26 . 1 . 1 6 6 LYS CB C 13 32.844 0.02 . 1 . . . . . 6 LYS CB . 27796 1 27 . 1 . 1 6 6 LYS N N 15 122.773 0.02 . 1 . . . . . 6 LYS N . 27796 1 28 . 1 . 1 7 7 GLY H H 1 8.459 0.01 . 1 . . . . . 7 GLY HN . 27796 1 29 . 1 . 1 7 7 GLY HA2 H 1 3.908 0.01 . 1 . . . . . 7 GLY HA2 . 27796 1 30 . 1 . 1 7 7 GLY HA3 H 1 3.908 0.01 . 1 . . . . . 7 GLY HA3 . 27796 1 31 . 1 . 1 7 7 GLY C C 13 174.169 0.02 . 1 . . . . . 7 GLY C . 27796 1 32 . 1 . 1 7 7 GLY CA C 13 45.382 0.02 . 1 . . . . . 7 GLY CA . 27796 1 33 . 1 . 1 7 7 GLY N N 15 109.878 0.02 . 1 . . . . . 7 GLY N . 27796 1 34 . 1 . 1 8 8 LEU H H 1 8.099 0.01 . 1 . . . . . 8 LEU HN . 27796 1 35 . 1 . 1 8 8 LEU HA H 1 4.367 0.01 . 1 . . . . . 8 LEU HA . 27796 1 36 . 1 . 1 8 8 LEU C C 13 177.654 0.02 . 1 . . . . . 8 LEU C . 27796 1 37 . 1 . 1 8 8 LEU CA C 13 55.305 0.02 . 1 . . . . . 8 LEU CA . 27796 1 38 . 1 . 1 8 8 LEU CB C 13 42.459 0.02 . 1 . . . . . 8 LEU CB . 27796 1 39 . 1 . 1 8 8 LEU N N 15 121.645 0.02 . 1 . . . . . 8 LEU N . 27796 1 40 . 1 . 1 9 9 SER H H 1 8.363 0.01 . 1 . . . . . 9 SER HN . 27796 1 41 . 1 . 1 9 9 SER HA H 1 4.396 0.01 . 1 . . . . . 9 SER HA . 27796 1 42 . 1 . 1 9 9 SER C C 13 174.624 0.02 . 1 . . . . . 9 SER C . 27796 1 43 . 1 . 1 9 9 SER CA C 13 58.613 0.02 . 1 . . . . . 9 SER CA . 27796 1 44 . 1 . 1 9 9 SER CB C 13 63.844 0.02 . 1 . . . . . 9 SER CB . 27796 1 45 . 1 . 1 9 9 SER N N 15 116.778 0.02 . 1 . . . . . 9 SER N . 27796 1 46 . 1 . 1 10 10 LYS H H 1 8.422 0.01 . 1 . . . . . 10 LYS HN . 27796 1 47 . 1 . 1 10 10 LYS HA H 1 4.272 0.01 . 1 . . . . . 10 LYS HA . 27796 1 48 . 1 . 1 10 10 LYS C C 13 176.466 0.02 . 1 . . . . . 10 LYS C . 27796 1 49 . 1 . 1 10 10 LYS CA C 13 56.459 0.02 . 1 . . . . . 10 LYS CA . 27796 1 50 . 1 . 1 10 10 LYS CB C 13 32.767 0.02 . 1 . . . . . 10 LYS CB . 27796 1 51 . 1 . 1 10 10 LYS N N 15 123.727 0.02 . 1 . . . . . 10 LYS N . 27796 1 52 . 1 . 1 11 11 ALA H H 1 8.345 0.01 . 1 . . . . . 11 ALA HN . 27796 1 53 . 1 . 1 11 11 ALA HA H 1 4.244 0.01 . 1 . . . . . 11 ALA HA . 27796 1 54 . 1 . 1 11 11 ALA C C 13 177.912 0.02 . 1 . . . . . 11 ALA C . 27796 1 55 . 1 . 1 11 11 ALA CA C 13 52.844 0.02 . 1 . . . . . 11 ALA CA . 27796 1 56 . 1 . 1 11 11 ALA CB C 13 19.074 0.02 . 1 . . . . . 11 ALA CB . 27796 1 57 . 1 . 1 11 11 ALA N N 15 125.385 0.02 . 1 . . . . . 11 ALA N . 27796 1 58 . 1 . 1 12 12 LYS H H 1 8.381 0.01 . 1 . . . . . 12 LYS HN . 27796 1 59 . 1 . 1 12 12 LYS HA H 1 4.233 0.01 . 1 . . . . . 12 LYS HA . 27796 1 60 . 1 . 1 12 12 LYS C C 13 176.689 0.02 . 1 . . . . . 12 LYS C . 27796 1 61 . 1 . 1 12 12 LYS CA C 13 56.536 0.02 . 1 . . . . . 12 LYS CA . 27796 1 62 . 1 . 1 12 12 LYS CB C 13 32.997 0.02 . 1 . . . . . 12 LYS CB . 27796 1 63 . 1 . 1 12 12 LYS N N 15 120.989 0.02 . 1 . . . . . 12 LYS N . 27796 1 64 . 1 . 1 13 13 GLU H H 1 8.494 0.01 . 1 . . . . . 13 GLU HN . 27796 1 65 . 1 . 1 13 13 GLU HA H 1 4.277 0.01 . 1 . . . . . 13 GLU HA . 27796 1 66 . 1 . 1 13 13 GLU C C 13 177.027 0.02 . 1 . . . . . 13 GLU C . 27796 1 67 . 1 . 1 13 13 GLU CA C 13 56.921 0.02 . 1 . . . . . 13 GLU CA . 27796 1 68 . 1 . 1 13 13 GLU CB C 13 30.305 0.02 . 1 . . . . . 13 GLU CB . 27796 1 69 . 1 . 1 13 13 GLU N N 15 122.248 0.02 . 1 . . . . . 13 GLU N . 27796 1 70 . 1 . 1 14 14 GLY H H 1 8.513 0.01 . 1 . . . . . 14 GLY HN . 27796 1 71 . 1 . 1 14 14 GLY HA2 H 1 3.933 0.01 . 1 . . . . . 14 GLY HA2 . 27796 1 72 . 1 . 1 14 14 GLY HA3 H 1 3.933 0.01 . 1 . . . . . 14 GLY HA3 . 27796 1 73 . 1 . 1 14 14 GLY C C 13 174.025 0.02 . 1 . . . . . 14 GLY C . 27796 1 74 . 1 . 1 14 14 GLY CA C 13 45.228 0.02 . 1 . . . . . 14 GLY CA . 27796 1 75 . 1 . 1 14 14 GLY N N 15 110.231 0.02 . 1 . . . . . 14 GLY N . 27796 1 76 . 1 . 1 15 15 VAL H H 1 8.022 0.01 . 1 . . . . . 15 VAL HN . 27796 1 77 . 1 . 1 15 15 VAL HA H 1 4.085 0.01 . 1 . . . . . 15 VAL HA . 27796 1 78 . 1 . 1 15 15 VAL C C 13 176.471 0.02 . 1 . . . . . 15 VAL C . 27796 1 79 . 1 . 1 15 15 VAL CA C 13 62.69 0.02 . 1 . . . . . 15 VAL CA . 27796 1 80 . 1 . 1 15 15 VAL CB C 13 32.69 0.02 . 1 . . . . . 15 VAL CB . 27796 1 81 . 1 . 1 15 15 VAL N N 15 120.246 0.02 . 1 . . . . . 15 VAL N . 27796 1 82 . 1 . 1 16 16 VAL H H 1 8.336 0.01 . 1 . . . . . 16 VAL HN . 27796 1 83 . 1 . 1 16 16 VAL HA H 1 4.069 0.01 . 1 . . . . . 16 VAL HA . 27796 1 84 . 1 . 1 16 16 VAL C C 13 176.007 0.02 . 1 . . . . . 16 VAL C . 27796 1 85 . 1 . 1 16 16 VAL CA C 13 62.382 0.02 . 1 . . . . . 16 VAL CA . 27796 1 86 . 1 . 1 16 16 VAL CB C 13 32.613 0.02 . 1 . . . . . 16 VAL CB . 27796 1 87 . 1 . 1 16 16 VAL N N 15 125.317 0.02 . 1 . . . . . 16 VAL N . 27796 1 88 . 1 . 1 17 17 ALA H H 1 8.488 0.01 . 1 . . . . . 17 ALA HN . 27796 1 89 . 1 . 1 17 17 ALA HA H 1 4.249 0.01 . 1 . . . . . 17 ALA HA . 27796 1 90 . 1 . 1 17 17 ALA C C 13 177.682 0.02 . 1 . . . . . 17 ALA C . 27796 1 91 . 1 . 1 17 17 ALA CA C 13 52.536 0.02 . 1 . . . . . 17 ALA CA . 27796 1 92 . 1 . 1 17 17 ALA CB C 13 19.074 0.02 . 1 . . . . . 17 ALA CB . 27796 1 93 . 1 . 1 17 17 ALA N N 15 128.597 0.02 . 1 . . . . . 17 ALA N . 27796 1 94 . 1 . 1 18 18 ALA H H 1 8.351 0.01 . 1 . . . . . 18 ALA HN . 27796 1 95 . 1 . 1 18 18 ALA HA H 1 4.226 0.01 . 1 . . . . . 18 ALA HA . 27796 1 96 . 1 . 1 18 18 ALA C C 13 177.913 0.02 . 1 . . . . . 18 ALA C . 27796 1 97 . 1 . 1 18 18 ALA CA C 13 52.921 0.02 . 1 . . . . . 18 ALA CA . 27796 1 98 . 1 . 1 18 18 ALA CB C 13 18.997 0.02 . 1 . . . . . 18 ALA CB . 27796 1 99 . 1 . 1 18 18 ALA N N 15 123.773 0.02 . 1 . . . . . 18 ALA N . 27796 1 100 . 1 . 1 19 19 ALA H H 1 8.325 0.01 . 1 . . . . . 19 ALA HN . 27796 1 101 . 1 . 1 19 19 ALA HA H 1 4.287 0.01 . 1 . . . . . 19 ALA HA . 27796 1 102 . 1 . 1 19 19 ALA C C 13 178.2 0.02 . 1 . . . . . 19 ALA C . 27796 1 103 . 1 . 1 19 19 ALA CA C 13 52.844 0.02 . 1 . . . . . 19 ALA CA . 27796 1 104 . 1 . 1 19 19 ALA CB C 13 18.997 0.02 . 1 . . . . . 19 ALA CB . 27796 1 105 . 1 . 1 19 19 ALA N N 15 123.196 0.02 . 1 . . . . . 19 ALA N . 27796 1 106 . 1 . 1 20 20 GLU H H 1 8.367 0.01 . 1 . . . . . 20 GLU HN . 27796 1 107 . 1 . 1 20 20 GLU HA H 1 4.242 0.01 . 1 . . . . . 20 GLU HA . 27796 1 108 . 1 . 1 20 20 GLU C C 13 176.928 0.02 . 1 . . . . . 20 GLU C . 27796 1 109 . 1 . 1 20 20 GLU CA C 13 56.921 0.02 . 1 . . . . . 20 GLU CA . 27796 1 110 . 1 . 1 20 20 GLU CB C 13 30.074 0.02 . 1 . . . . . 20 GLU CB . 27796 1 111 . 1 . 1 20 20 GLU N N 15 120.173 0.02 . 1 . . . . . 20 GLU N . 27796 1 112 . 1 . 1 21 21 LYS H H 1 8.373 0.01 . 1 . . . . . 21 LYS HN . 27796 1 113 . 1 . 1 21 21 LYS HA H 1 4.317 0.01 . 1 . . . . . 21 LYS HA . 27796 1 114 . 1 . 1 21 21 LYS C C 13 177.164 0.02 . 1 . . . . . 21 LYS C . 27796 1 115 . 1 . 1 21 21 LYS CA C 13 56.844 0.02 . 1 . . . . . 21 LYS CA . 27796 1 116 . 1 . 1 21 21 LYS CB C 13 32.844 0.02 . 1 . . . . . 21 LYS CB . 27796 1 117 . 1 . 1 21 21 LYS N N 15 122.363 0.02 . 1 . . . . . 21 LYS N . 27796 1 118 . 1 . 1 22 22 THR H H 1 8.177 0.01 . 1 . . . . . 22 THR HN . 27796 1 119 . 1 . 1 22 22 THR HA H 1 4.262 0.01 . 1 . . . . . 22 THR HA . 27796 1 120 . 1 . 1 22 22 THR C C 13 174.698 0.02 . 1 . . . . . 22 THR C . 27796 1 121 . 1 . 1 22 22 THR CA C 13 62.459 0.02 . 1 . . . . . 22 THR CA . 27796 1 122 . 1 . 1 22 22 THR CB C 13 69.844 0.02 . 1 . . . . . 22 THR CB . 27796 1 123 . 1 . 1 22 22 THR N N 15 115.473 0.02 . 1 . . . . . 22 THR N . 27796 1 124 . 1 . 1 23 23 LYS H H 1 8.395 0.01 . 1 . . . . . 23 LYS HN . 27796 1 125 . 1 . 1 23 23 LYS HA H 1 4.275 0.01 . 1 . . . . . 23 LYS HA . 27796 1 126 . 1 . 1 23 23 LYS C C 13 176.712 0.02 . 1 . . . . . 23 LYS C . 27796 1 127 . 1 . 1 23 23 LYS CA C 13 56.844 0.02 . 1 . . . . . 23 LYS CA . 27796 1 128 . 1 . 1 23 23 LYS CB C 13 32.844 0.02 . 1 . . . . . 23 LYS CB . 27796 1 129 . 1 . 1 23 23 LYS N N 15 123.956 0.02 . 1 . . . . . 23 LYS N . 27796 1 130 . 1 . 1 24 24 GLN H H 1 8.464 0.01 . 1 . . . . . 24 GLN HN . 27796 1 131 . 1 . 1 24 24 GLN HA H 1 4.29 0.01 . 1 . . . . . 24 GLN HA . 27796 1 132 . 1 . 1 24 24 GLN C C 13 176.602 0.02 . 1 . . . . . 24 GLN C . 27796 1 133 . 1 . 1 24 24 GLN CA C 13 56.228 0.02 . 1 . . . . . 24 GLN CA . 27796 1 134 . 1 . 1 24 24 GLN CB C 13 29.459 0.02 . 1 . . . . . 24 GLN CB . 27796 1 135 . 1 . 1 24 24 GLN N N 15 121.746 0.02 . 1 . . . . . 24 GLN N . 27796 1 136 . 1 . 1 25 25 GLY H H 1 8.53 0.01 . 1 . . . . . 25 GLY HN . 27796 1 137 . 1 . 1 25 25 GLY HA2 H 1 3.939 0.01 . 1 . . . . . 25 GLY HA2 . 27796 1 138 . 1 . 1 25 25 GLY HA3 H 1 3.939 0.01 . 1 . . . . . 25 GLY HA3 . 27796 1 139 . 1 . 1 25 25 GLY C C 13 174.261 0.02 . 1 . . . . . 25 GLY C . 27796 1 140 . 1 . 1 25 25 GLY CA C 13 45.382 0.02 . 1 . . . . . 25 GLY CA . 27796 1 141 . 1 . 1 25 25 GLY N N 15 110.632 0.02 . 1 . . . . . 25 GLY N . 27796 1 142 . 1 . 1 26 26 VAL H H 1 8.056 0.01 . 1 . . . . . 26 VAL HN . 27796 1 143 . 1 . 1 26 26 VAL HA H 1 4.068 0.01 . 1 . . . . . 26 VAL HA . 27796 1 144 . 1 . 1 26 26 VAL C C 13 176.393 0.02 . 1 . . . . . 26 VAL C . 27796 1 145 . 1 . 1 26 26 VAL CA C 13 62.767 0.02 . 1 . . . . . 26 VAL CA . 27796 1 146 . 1 . 1 26 26 VAL CB C 13 32.767 0.02 . 1 . . . . . 26 VAL CB . 27796 1 147 . 1 . 1 26 26 VAL N N 15 119.921 0.02 . 1 . . . . . 26 VAL N . 27796 1 148 . 1 . 1 27 27 ALA H H 1 8.459 0.01 . 1 . . . . . 27 ALA HN . 27796 1 149 . 1 . 1 27 27 ALA HA H 1 4.288 0.01 . 1 . . . . . 27 ALA HA . 27796 1 150 . 1 . 1 27 27 ALA C C 13 178.148 0.02 . 1 . . . . . 27 ALA C . 27796 1 151 . 1 . 1 27 27 ALA CA C 13 52.921 0.02 . 1 . . . . . 27 ALA CA . 27796 1 152 . 1 . 1 27 27 ALA CB C 13 18.93 0.02 . 1 . . . . . 27 ALA CB . 27796 1 153 . 1 . 1 27 27 ALA N N 15 127.388 0.02 . 1 . . . . . 27 ALA N . 27796 1 154 . 1 . 1 28 28 GLU H H 1 8.436 0.01 . 1 . . . . . 28 GLU HN . 27796 1 155 . 1 . 1 28 28 GLU HA H 1 4.209 0.01 . 1 . . . . . 28 GLU HA . 27796 1 156 . 1 . 1 28 28 GLU C C 13 176.67 0.02 . 1 . . . . . 28 GLU C . 27796 1 157 . 1 . 1 28 28 GLU CA C 13 56.921 0.02 . 1 . . . . . 28 GLU CA . 27796 1 158 . 1 . 1 28 28 GLU CB C 13 30.151 0.02 . 1 . . . . . 28 GLU CB . 27796 1 159 . 1 . 1 28 28 GLU N N 15 120.674 0.02 . 1 . . . . . 28 GLU N . 27796 1 160 . 1 . 1 29 29 ALA H H 1 8.335 0.01 . 1 . . . . . 29 ALA HN . 27796 1 161 . 1 . 1 29 29 ALA HA H 1 4.241 0.01 . 1 . . . . . 29 ALA HA . 27796 1 162 . 1 . 1 29 29 ALA C C 13 177.748 0.02 . 1 . . . . . 29 ALA C . 27796 1 163 . 1 . 1 29 29 ALA CA C 13 52.921 0.02 . 1 . . . . . 29 ALA CA . 27796 1 164 . 1 . 1 29 29 ALA CB C 13 18.997 0.02 . 1 . . . . . 29 ALA CB . 27796 1 165 . 1 . 1 29 29 ALA N N 15 125.021 0.02 . 1 . . . . . 29 ALA N . 27796 1 166 . 1 . 1 30 30 ALA H H 1 8.272 0.01 . 1 . . . . . 30 ALA HN . 27796 1 167 . 1 . 1 30 30 ALA HA H 1 4.266 0.01 . 1 . . . . . 30 ALA HA . 27796 1 168 . 1 . 1 30 30 ALA C C 13 178.477 0.02 . 1 . . . . . 30 ALA C . 27796 1 169 . 1 . 1 30 30 ALA CA C 13 52.997 0.02 . 1 . . . . . 30 ALA CA . 27796 1 170 . 1 . 1 30 30 ALA CB C 13 18.997 0.02 . 1 . . . . . 30 ALA CB . 27796 1 171 . 1 . 1 30 30 ALA N N 15 123.007 0.02 . 1 . . . . . 30 ALA N . 27796 1 172 . 1 . 1 31 31 GLY H H 1 8.349 0.01 . 1 . . . . . 31 GLY HN . 27796 1 173 . 1 . 1 31 31 GLY HA2 H 1 3.952 0.01 . 1 . . . . . 31 GLY HA2 . 27796 1 174 . 1 . 1 31 31 GLY HA3 H 1 3.952 0.01 . 1 . . . . . 31 GLY HA3 . 27796 1 175 . 1 . 1 31 31 GLY C C 13 174.194 0.02 . 1 . . . . . 31 GLY C . 27796 1 176 . 1 . 1 31 31 GLY CA C 13 45.382 0.02 . 1 . . . . . 31 GLY CA . 27796 1 177 . 1 . 1 31 31 GLY N N 15 107.826 0.02 . 1 . . . . . 31 GLY N . 27796 1 178 . 1 . 1 32 32 LYS H H 1 8.149 0.01 . 1 . . . . . 32 LYS HN . 27796 1 179 . 1 . 1 32 32 LYS HA H 1 4.404 0.01 . 1 . . . . . 32 LYS HA . 27796 1 180 . 1 . 1 32 32 LYS C C 13 177.002 0.02 . 1 . . . . . 32 LYS C . 27796 1 181 . 1 . 1 32 32 LYS CA C 13 56.305 0.02 . 1 . . . . . 32 LYS CA . 27796 1 182 . 1 . 1 32 32 LYS CB C 13 33.151 0.02 . 1 . . . . . 32 LYS CB . 27796 1 183 . 1 . 1 32 32 LYS N N 15 120.808 0.02 . 1 . . . . . 32 LYS N . 27796 1 184 . 1 . 1 33 33 THR H H 1 8.266 0.01 . 1 . . . . . 33 THR HN . 27796 1 185 . 1 . 1 33 33 THR HA H 1 4.31 0.01 . 1 . . . . . 33 THR HA . 27796 1 186 . 1 . 1 33 33 THR C C 13 174.666 0.02 . 1 . . . . . 33 THR C . 27796 1 187 . 1 . 1 33 33 THR CA C 13 62.151 0.02 . 1 . . . . . 33 THR CA . 27796 1 188 . 1 . 1 33 33 THR CB C 13 69.997 0.02 . 1 . . . . . 33 THR CB . 27796 1 189 . 1 . 1 33 33 THR N N 15 115.812 0.02 . 1 . . . . . 33 THR N . 27796 1 190 . 1 . 1 34 34 LYS H H 1 8.516 0.01 . 1 . . . . . 34 LYS HN . 27796 1 191 . 1 . 1 34 34 LYS HA H 1 4.281 0.01 . 1 . . . . . 34 LYS HA . 27796 1 192 . 1 . 1 34 34 LYS C C 13 176.696 0.02 . 1 . . . . . 34 LYS C . 27796 1 193 . 1 . 1 34 34 LYS CA C 13 56.613 0.02 . 1 . . . . . 34 LYS CA . 27796 1 194 . 1 . 1 34 34 LYS CB C 13 32.997 0.02 . 1 . . . . . 34 LYS CB . 27796 1 195 . 1 . 1 34 34 LYS N N 15 124.097 0.02 . 1 . . . . . 34 LYS N . 27796 1 196 . 1 . 1 35 35 GLU H H 1 8.472 0.01 . 1 . . . . . 35 GLU HN . 27796 1 197 . 1 . 1 35 35 GLU HA H 1 4.273 0.01 . 1 . . . . . 35 GLU HA . 27796 1 198 . 1 . 1 35 35 GLU C C 13 177.004 0.02 . 1 . . . . . 35 GLU C . 27796 1 199 . 1 . 1 35 35 GLU CA C 13 56.844 0.02 . 1 . . . . . 35 GLU CA . 27796 1 200 . 1 . 1 35 35 GLU CB C 13 30.151 0.02 . 1 . . . . . 35 GLU CB . 27796 1 201 . 1 . 1 35 35 GLU N N 15 122.173 0.02 . 1 . . . . . 35 GLU N . 27796 1 202 . 1 . 1 36 36 GLY H H 1 8.473 0.01 . 1 . . . . . 36 GLY HN . 27796 1 203 . 1 . 1 36 36 GLY HA2 H 1 3.925 0.01 . 1 . . . . . 36 GLY HA2 . 27796 1 204 . 1 . 1 36 36 GLY HA3 H 1 3.925 0.01 . 1 . . . . . 36 GLY HA3 . 27796 1 205 . 1 . 1 36 36 GLY C C 13 174.002 0.02 . 1 . . . . . 36 GLY C . 27796 1 206 . 1 . 1 36 36 GLY CA C 13 45.305 0.02 . 1 . . . . . 36 GLY CA . 27796 1 207 . 1 . 1 36 36 GLY N N 15 110.014 0.02 . 1 . . . . . 36 GLY N . 27796 1 208 . 1 . 1 37 37 VAL H H 1 7.945 0.01 . 1 . . . . . 37 VAL HN . 27796 1 209 . 1 . 1 37 37 VAL HA H 1 4.055 0.01 . 1 . . . . . 37 VAL HA . 27796 1 210 . 1 . 1 37 37 VAL C C 13 175.932 0.02 . 1 . . . . . 37 VAL C . 27796 1 211 . 1 . 1 37 37 VAL CA C 13 62.382 0.02 . 1 . . . . . 37 VAL CA . 27796 1 212 . 1 . 1 37 37 VAL CB C 13 32.69 0.02 . 1 . . . . . 37 VAL CB . 27796 1 213 . 1 . 1 37 37 VAL N N 15 119.665 0.02 . 1 . . . . . 37 VAL N . 27796 1 214 . 1 . 1 38 38 LEU H H 1 8.321 0.01 . 1 . . . . . 38 LEU HN . 27796 1 215 . 1 . 1 38 38 LEU HA H 1 4.338 0.01 . 1 . . . . . 38 LEU HA . 27796 1 216 . 1 . 1 38 38 LEU C C 13 176.653 0.02 . 1 . . . . . 38 LEU C . 27796 1 217 . 1 . 1 38 38 LEU CA C 13 55.074 0.02 . 1 . . . . . 38 LEU CA . 27796 1 218 . 1 . 1 38 38 LEU CB C 13 42.459 0.02 . 1 . . . . . 38 LEU CB . 27796 1 219 . 1 . 1 38 38 LEU N N 15 125.902 0.02 . 1 . . . . . 38 LEU N . 27796 1 220 . 1 . 1 39 39 TYR H H 1 8.309 0.01 . 1 . . . . . 39 TYR HN . 27796 1 221 . 1 . 1 39 39 TYR HA H 1 4.563 0.01 . 1 . . . . . 39 TYR HA . 27796 1 222 . 1 . 1 39 39 TYR C C 13 175.572 0.02 . 1 . . . . . 39 TYR C . 27796 1 223 . 1 . 1 39 39 TYR CA C 13 57.921 0.02 . 1 . . . . . 39 TYR CA . 27796 1 224 . 1 . 1 39 39 TYR CB C 13 38.844 0.02 . 1 . . . . . 39 TYR CB . 27796 1 225 . 1 . 1 39 39 TYR N N 15 122.564 0.02 . 1 . . . . . 39 TYR N . 27796 1 226 . 1 . 1 40 40 VAL H H 1 8.117 0.01 . 1 . . . . . 40 VAL HN . 27796 1 227 . 1 . 1 40 40 VAL HA H 1 4.039 0.01 . 1 . . . . . 40 VAL HA . 27796 1 228 . 1 . 1 40 40 VAL C C 13 176.138 0.02 . 1 . . . . . 40 VAL C . 27796 1 229 . 1 . 1 40 40 VAL CA C 13 62.382 0.02 . 1 . . . . . 40 VAL CA . 27796 1 230 . 1 . 1 40 40 VAL CB C 13 32.844 0.02 . 1 . . . . . 40 VAL CB . 27796 1 231 . 1 . 1 40 40 VAL N N 15 123.461 0.02 . 1 . . . . . 40 VAL N . 27796 1 232 . 1 . 1 41 41 GLY H H 1 8.079 0.01 . 1 . . . . . 41 GLY HN . 27796 1 233 . 1 . 1 41 41 GLY HA2 H 1 3.909 0.01 . 1 . . . . . 41 GLY HA2 . 27796 1 234 . 1 . 1 41 41 GLY HA3 H 1 3.909 0.01 . 1 . . . . . 41 GLY HA3 . 27796 1 235 . 1 . 1 41 41 GLY C C 13 173.945 0.02 . 1 . . . . . 41 GLY C . 27796 1 236 . 1 . 1 41 41 GLY CA C 13 45.074 0.02 . 1 . . . . . 41 GLY CA . 27796 1 237 . 1 . 1 41 41 GLY N N 15 112.224 0.02 . 1 . . . . . 41 GLY N . 27796 1 238 . 1 . 1 42 42 SER H H 1 8.295 0.01 . 1 . . . . . 42 SER HN . 27796 1 239 . 1 . 1 42 42 SER HA H 1 4.425 0.01 . 1 . . . . . 42 SER HA . 27796 1 240 . 1 . 1 42 42 SER C C 13 174.776 0.02 . 1 . . . . . 42 SER C . 27796 1 241 . 1 . 1 42 42 SER CA C 13 58.613 0.02 . 1 . . . . . 42 SER CA . 27796 1 242 . 1 . 1 42 42 SER CB C 13 63.997 0.02 . 1 . . . . . 42 SER CB . 27796 1 243 . 1 . 1 42 42 SER N N 15 115.662 0.02 . 1 . . . . . 42 SER N . 27796 1 244 . 1 . 1 43 43 LYS H H 1 8.528 0.01 . 1 . . . . . 43 LYS HN . 27796 1 245 . 1 . 1 43 43 LYS HA H 1 4.406 0.01 . 1 . . . . . 43 LYS HA . 27796 1 246 . 1 . 1 43 43 LYS C C 13 176.877 0.02 . 1 . . . . . 43 LYS C . 27796 1 247 . 1 . 1 43 43 LYS CA C 13 56.69 0.02 . 1 . . . . . 43 LYS CA . 27796 1 248 . 1 . 1 43 43 LYS CB C 13 33.151 0.02 . 1 . . . . . 43 LYS CB . 27796 1 249 . 1 . 1 43 43 LYS N N 15 123.507 0.02 . 1 . . . . . 43 LYS N . 27796 1 250 . 1 . 1 44 44 THR H H 1 8.216 0.01 . 1 . . . . . 44 THR HN . 27796 1 251 . 1 . 1 44 44 THR HA H 1 4.304 0.01 . 1 . . . . . 44 THR HA . 27796 1 252 . 1 . 1 44 44 THR C C 13 174.666 0.02 . 1 . . . . . 44 THR C . 27796 1 253 . 1 . 1 44 44 THR CA C 13 62.151 0.02 . 1 . . . . . 44 THR CA . 27796 1 254 . 1 . 1 44 44 THR CB C 13 69.997 0.02 . 1 . . . . . 44 THR CB . 27796 1 255 . 1 . 1 44 44 THR N N 15 115.625 0.02 . 1 . . . . . 44 THR N . 27796 1 256 . 1 . 1 45 45 LYS H H 1 8.512 0.01 . 1 . . . . . 45 LYS HN . 27796 1 257 . 1 . 1 45 45 LYS HA H 1 4.272 0.01 . 1 . . . . . 45 LYS HA . 27796 1 258 . 1 . 1 45 45 LYS C C 13 176.548 0.02 . 1 . . . . . 45 LYS C . 27796 1 259 . 1 . 1 45 45 LYS CA C 13 56.536 0.02 . 1 . . . . . 45 LYS CA . 27796 1 260 . 1 . 1 45 45 LYS CB C 13 32.921 0.02 . 1 . . . . . 45 LYS CB . 27796 1 261 . 1 . 1 45 45 LYS N N 15 123.921 0.02 . 1 . . . . . 45 LYS N . 27796 1 262 . 1 . 1 46 46 GLU H H 1 8.507 0.01 . 1 . . . . . 46 GLU HN . 27796 1 263 . 1 . 1 46 46 GLU HA H 1 4.218 0.01 . 1 . . . . . 46 GLU HA . 27796 1 264 . 1 . 1 46 46 GLU C C 13 176.981 0.02 . 1 . . . . . 46 GLU C . 27796 1 265 . 1 . 1 46 46 GLU CA C 13 56.997 0.02 . 1 . . . . . 46 GLU CA . 27796 1 266 . 1 . 1 46 46 GLU CB C 13 30.151 0.02 . 1 . . . . . 46 GLU CB . 27796 1 267 . 1 . 1 46 46 GLU N N 15 122.151 0.02 . 1 . . . . . 46 GLU N . 27796 1 268 . 1 . 1 47 47 GLY H H 1 8.457 0.01 . 1 . . . . . 47 GLY HN . 27796 1 269 . 1 . 1 47 47 GLY HA2 H 1 3.936 0.01 . 1 . . . . . 47 GLY HA2 . 27796 1 270 . 1 . 1 47 47 GLY HA3 H 1 3.936 0.01 . 1 . . . . . 47 GLY HA3 . 27796 1 271 . 1 . 1 47 47 GLY C C 13 173.863 0.02 . 1 . . . . . 47 GLY C . 27796 1 272 . 1 . 1 47 47 GLY CA C 13 45.305 0.02 . 1 . . . . . 47 GLY CA . 27796 1 273 . 1 . 1 47 47 GLY N N 15 110.075 0.02 . 1 . . . . . 47 GLY N . 27796 1 274 . 1 . 1 48 48 VAL H H 1 7.951 0.01 . 1 . . . . . 48 VAL HN . 27796 1 275 . 1 . 1 48 48 VAL HA H 1 4.078 0.01 . 1 . . . . . 48 VAL HA . 27796 1 276 . 1 . 1 48 48 VAL C C 13 176.046 0.02 . 1 . . . . . 48 VAL C . 27796 1 277 . 1 . 1 48 48 VAL CA C 13 62.382 0.02 . 1 . . . . . 48 VAL CA . 27796 1 278 . 1 . 1 48 48 VAL CB C 13 32.767 0.02 . 1 . . . . . 48 VAL CB . 27796 1 279 . 1 . 1 48 48 VAL N N 15 119.965 0.02 . 1 . . . . . 48 VAL N . 27796 1 280 . 1 . 1 49 49 VAL H H 1 8.34 0.01 . 1 . . . . . 49 VAL HN . 27796 1 281 . 1 . 1 49 49 VAL HA H 1 4.051 0.01 . 1 . . . . . 49 VAL HA . 27796 1 282 . 1 . 1 49 49 VAL C C 13 175.895 0.02 . 1 . . . . . 49 VAL C . 27796 1 283 . 1 . 1 49 49 VAL CA C 13 62.459 0.02 . 1 . . . . . 49 VAL CA . 27796 1 284 . 1 . 1 49 49 VAL CB C 13 32.767 0.02 . 1 . . . . . 49 VAL CB . 27796 1 285 . 1 . 1 49 49 VAL N N 15 125.126 0.02 . 1 . . . . . 49 VAL N . 27796 1 286 . 1 . 1 50 50 HIS H H 1 8.649 0.01 . 1 . . . . . 50 HIS HN . 27796 1 287 . 1 . 1 50 50 HIS HA H 1 4.671 0.01 . 1 . . . . . 50 HIS HA . 27796 1 288 . 1 . 1 50 50 HIS C C 13 175.225 0.02 . 1 . . . . . 50 HIS C . 27796 1 289 . 1 . 1 50 50 HIS CA C 13 55.844 0.02 . 1 . . . . . 50 HIS CA . 27796 1 290 . 1 . 1 50 50 HIS CB C 13 29.997 0.02 . 1 . . . . . 50 HIS CB . 27796 1 291 . 1 . 1 50 50 HIS N N 15 124.119 0.02 . 1 . . . . . 50 HIS N . 27796 1 292 . 1 . 1 51 51 GLY H H 1 8.502 0.01 . 1 . . . . . 51 GLY HN . 27796 1 293 . 1 . 1 51 51 GLY HA2 H 1 3.947 0.01 . 1 . . . . . 51 GLY HA2 . 27796 1 294 . 1 . 1 51 51 GLY HA3 H 1 3.947 0.01 . 1 . . . . . 51 GLY HA3 . 27796 1 295 . 1 . 1 51 51 GLY C C 13 173.753 0.02 . 1 . . . . . 51 GLY C . 27796 1 296 . 1 . 1 51 51 GLY CA C 13 45.305 0.02 . 1 . . . . . 51 GLY CA . 27796 1 297 . 1 . 1 51 51 GLY N N 15 110.723 0.02 . 1 . . . . . 51 GLY N . 27796 1 298 . 1 . 1 52 52 VAL H H 1 8.116 0.01 . 1 . . . . . 52 VAL HN . 27796 1 299 . 1 . 1 52 52 VAL HA H 1 4.125 0.01 . 1 . . . . . 52 VAL HA . 27796 1 300 . 1 . 1 52 52 VAL C C 13 175.938 0.02 . 1 . . . . . 52 VAL C . 27796 1 301 . 1 . 1 52 52 VAL CA C 13 62.305 0.02 . 1 . . . . . 52 VAL CA . 27796 1 302 . 1 . 1 52 52 VAL CB C 13 32.844 0.02 . 1 . . . . . 52 VAL CB . 27796 1 303 . 1 . 1 52 52 VAL N N 15 119.78 0.02 . 1 . . . . . 52 VAL N . 27796 1 304 . 1 . 1 53 53 ALA H H 1 8.536 0.01 . 1 . . . . . 53 ALA HN . 27796 1 305 . 1 . 1 53 53 ALA HA H 1 4.398 0.01 . 1 . . . . . 53 ALA HA . 27796 1 306 . 1 . 1 53 53 ALA C C 13 177.83 0.02 . 1 . . . . . 53 ALA C . 27796 1 307 . 1 . 1 53 53 ALA CA C 13 52.459 0.02 . 1 . . . . . 53 ALA CA . 27796 1 308 . 1 . 1 53 53 ALA CB C 13 19.305 0.02 . 1 . . . . . 53 ALA CB . 27796 1 309 . 1 . 1 53 53 ALA N N 15 128.327 0.02 . 1 . . . . . 53 ALA N . 27796 1 310 . 1 . 1 54 54 THR H H 1 8.266 0.01 . 1 . . . . . 54 THR HN . 27796 1 311 . 1 . 1 54 54 THR HA H 1 4.309 0.01 . 1 . . . . . 54 THR HA . 27796 1 312 . 1 . 1 54 54 THR C C 13 174.523 0.02 . 1 . . . . . 54 THR C . 27796 1 313 . 1 . 1 54 54 THR CA C 13 62.074 0.02 . 1 . . . . . 54 THR CA . 27796 1 314 . 1 . 1 54 54 THR CB C 13 69.997 0.02 . 1 . . . . . 54 THR CB . 27796 1 315 . 1 . 1 54 54 THR N N 15 114.955 0.02 . 1 . . . . . 54 THR N . 27796 1 316 . 1 . 1 55 55 VAL H H 1 8.278 0.01 . 1 . . . . . 55 VAL HN . 27796 1 317 . 1 . 1 55 55 VAL HA H 1 4.073 0.01 . 1 . . . . . 55 VAL HA . 27796 1 318 . 1 . 1 55 55 VAL C C 13 175.859 0.02 . 1 . . . . . 55 VAL C . 27796 1 319 . 1 . 1 55 55 VAL CA C 13 62.382 0.02 . 1 . . . . . 55 VAL CA . 27796 1 320 . 1 . 1 55 55 VAL CB C 13 32.844 0.02 . 1 . . . . . 55 VAL CB . 27796 1 321 . 1 . 1 55 55 VAL N N 15 123.203 0.02 . 1 . . . . . 55 VAL N . 27796 1 322 . 1 . 1 56 56 ALA H H 1 8.461 0.01 . 1 . . . . . 56 ALA HN . 27796 1 323 . 1 . 1 56 56 ALA HA H 1 4.272 0.01 . 1 . . . . . 56 ALA HA . 27796 1 324 . 1 . 1 56 56 ALA C C 13 177.789 0.02 . 1 . . . . . 56 ALA C . 27796 1 325 . 1 . 1 56 56 ALA CA C 13 52.69 0.02 . 1 . . . . . 56 ALA CA . 27796 1 326 . 1 . 1 56 56 ALA CB C 13 19.228 0.02 . 1 . . . . . 56 ALA CB . 27796 1 327 . 1 . 1 56 56 ALA N N 15 128.145 0.02 . 1 . . . . . 56 ALA N . 27796 1 328 . 1 . 1 57 57 GLU H H 1 8.412 0.01 . 1 . . . . . 57 GLU HN . 27796 1 329 . 1 . 1 57 57 GLU HA H 1 4.206 0.01 . 1 . . . . . 57 GLU HA . 27796 1 330 . 1 . 1 57 57 GLU C C 13 176.712 0.02 . 1 . . . . . 57 GLU C . 27796 1 331 . 1 . 1 57 57 GLU CA C 13 56.767 0.02 . 1 . . . . . 57 GLU CA . 27796 1 332 . 1 . 1 57 57 GLU CB C 13 30.305 0.02 . 1 . . . . . 57 GLU CB . 27796 1 333 . 1 . 1 57 57 GLU N N 15 120.989 0.02 . 1 . . . . . 57 GLU N . 27796 1 334 . 1 . 1 58 58 LYS H H 1 8.472 0.01 . 1 . . . . . 58 LYS HN . 27796 1 335 . 1 . 1 58 58 LYS HA H 1 4.341 0.01 . 1 . . . . . 58 LYS HA . 27796 1 336 . 1 . 1 58 58 LYS C C 13 176.981 0.02 . 1 . . . . . 58 LYS C . 27796 1 337 . 1 . 1 58 58 LYS CA C 13 56.69 0.02 . 1 . . . . . 58 LYS CA . 27796 1 338 . 1 . 1 58 58 LYS CB C 13 32.921 0.02 . 1 . . . . . 58 LYS CB . 27796 1 339 . 1 . 1 58 58 LYS N N 15 122.965 0.02 . 1 . . . . . 58 LYS N . 27796 1 340 . 1 . 1 59 59 THR H H 1 8.256 0.01 . 1 . . . . . 59 THR HN . 27796 1 341 . 1 . 1 59 59 THR HA H 1 4.277 0.01 . 1 . . . . . 59 THR HA . 27796 1 342 . 1 . 1 59 59 THR C C 13 174.63 0.02 . 1 . . . . . 59 THR C . 27796 1 343 . 1 . 1 59 59 THR CA C 13 62.305 0.02 . 1 . . . . . 59 THR CA . 27796 1 344 . 1 . 1 59 59 THR CB C 13 69.844 0.02 . 1 . . . . . 59 THR CB . 27796 1 345 . 1 . 1 59 59 THR N N 15 116.056 0.02 . 1 . . . . . 59 THR N . 27796 1 346 . 1 . 1 60 60 LYS H H 1 8.429 0.01 . 1 . . . . . 60 LYS HN . 27796 1 347 . 1 . 1 60 60 LYS HA H 1 4.273 0.01 . 1 . . . . . 60 LYS HA . 27796 1 348 . 1 . 1 60 60 LYS C C 13 176.702 0.02 . 1 . . . . . 60 LYS C . 27796 1 349 . 1 . 1 60 60 LYS CA C 13 56.69 0.02 . 1 . . . . . 60 LYS CA . 27796 1 350 . 1 . 1 60 60 LYS CB C 13 32.921 0.02 . 1 . . . . . 60 LYS CB . 27796 1 351 . 1 . 1 60 60 LYS N N 15 123.865 0.02 . 1 . . . . . 60 LYS N . 27796 1 352 . 1 . 1 61 61 GLU H H 1 8.471 0.01 . 1 . . . . . 61 GLU HN . 27796 1 353 . 1 . 1 61 61 GLU HA H 1 4.271 0.01 . 1 . . . . . 61 GLU HA . 27796 1 354 . 1 . 1 61 61 GLU C C 13 176.423 0.02 . 1 . . . . . 61 GLU C . 27796 1 355 . 1 . 1 61 61 GLU CA C 13 56.921 0.02 . 1 . . . . . 61 GLU CA . 27796 1 356 . 1 . 1 61 61 GLU CB C 13 30.151 0.02 . 1 . . . . . 61 GLU CB . 27796 1 357 . 1 . 1 61 61 GLU N N 15 122.314 0.02 . 1 . . . . . 61 GLU N . 27796 1 358 . 1 . 1 62 62 GLN H H 1 8.461 0.01 . 1 . . . . . 62 GLN HN . 27796 1 359 . 1 . 1 62 62 GLN HA H 1 4.338 0.01 . 1 . . . . . 62 GLN HA . 27796 1 360 . 1 . 1 62 62 GLN C C 13 175.966 0.02 . 1 . . . . . 62 GLN C . 27796 1 361 . 1 . 1 62 62 GLN CA C 13 55.921 0.02 . 1 . . . . . 62 GLN CA . 27796 1 362 . 1 . 1 62 62 GLN CB C 13 29.459 0.02 . 1 . . . . . 62 GLN CB . 27796 1 363 . 1 . 1 62 62 GLN N N 15 121.922 0.02 . 1 . . . . . 62 GLN N . 27796 1 364 . 1 . 1 63 63 VAL H H 1 8.328 0.01 . 1 . . . . . 63 VAL HN . 27796 1 365 . 1 . 1 63 63 VAL HA H 1 4.18 0.01 . 1 . . . . . 63 VAL HA . 27796 1 366 . 1 . 1 63 63 VAL C C 13 176.341 0.02 . 1 . . . . . 63 VAL C . 27796 1 367 . 1 . 1 63 63 VAL CA C 13 62.459 0.02 . 1 . . . . . 63 VAL CA . 27796 1 368 . 1 . 1 63 63 VAL CB C 13 32.767 0.02 . 1 . . . . . 63 VAL CB . 27796 1 369 . 1 . 1 63 63 VAL N N 15 122.083 0.02 . 1 . . . . . 63 VAL N . 27796 1 370 . 1 . 1 64 64 THR H H 1 8.341 0.01 . 1 . . . . . 64 THR HN . 27796 1 371 . 1 . 1 64 64 THR HA H 1 4.339 0.01 . 1 . . . . . 64 THR HA . 27796 1 372 . 1 . 1 64 64 THR C C 13 174.036 0.02 . 1 . . . . . 64 THR C . 27796 1 373 . 1 . 1 64 64 THR CA C 13 61.921 0.02 . 1 . . . . . 64 THR CA . 27796 1 374 . 1 . 1 64 64 THR CB C 13 69.997 0.02 . 1 . . . . . 64 THR CB . 27796 1 375 . 1 . 1 64 64 THR N N 15 118.234 0.02 . 1 . . . . . 64 THR N . 27796 1 376 . 1 . 1 65 65 ASN H H 1 8.561 0.01 . 1 . . . . . 65 ASN HN . 27796 1 377 . 1 . 1 65 65 ASN HA H 1 4.769 0.01 . 1 . . . . . 65 ASN HA . 27796 1 378 . 1 . 1 65 65 ASN C C 13 175.24 0.02 . 1 . . . . . 65 ASN C . 27796 1 379 . 1 . 1 65 65 ASN CA C 13 53.228 0.02 . 1 . . . . . 65 ASN CA . 27796 1 380 . 1 . 1 65 65 ASN CB C 13 38.921 0.02 . 1 . . . . . 65 ASN CB . 27796 1 381 . 1 . 1 65 65 ASN N N 15 121.914 0.02 . 1 . . . . . 65 ASN N . 27796 1 382 . 1 . 1 66 66 VAL H H 1 8.278 0.01 . 1 . . . . . 66 VAL HN . 27796 1 383 . 1 . 1 66 66 VAL HA H 1 4.108 0.01 . 1 . . . . . 66 VAL HA . 27796 1 384 . 1 . 1 66 66 VAL C C 13 176.869 0.02 . 1 . . . . . 66 VAL C . 27796 1 385 . 1 . 1 66 66 VAL CA C 13 62.69 0.02 . 1 . . . . . 66 VAL CA . 27796 1 386 . 1 . 1 66 66 VAL CB C 13 32.459 0.02 . 1 . . . . . 66 VAL CB . 27796 1 387 . 1 . 1 66 66 VAL N N 15 120.873 0.02 . 1 . . . . . 66 VAL N . 27796 1 388 . 1 . 1 67 67 GLY H H 1 8.595 0.01 . 1 . . . . . 67 GLY HN . 27796 1 389 . 1 . 1 67 67 GLY HA2 H 1 3.942 0.01 . 1 . . . . . 67 GLY HA2 . 27796 1 390 . 1 . 1 67 67 GLY HA3 H 1 3.942 0.01 . 1 . . . . . 67 GLY HA3 . 27796 1 391 . 1 . 1 67 67 GLY C C 13 174.661 0.02 . 1 . . . . . 67 GLY C . 27796 1 392 . 1 . 1 67 67 GLY CA C 13 45.228 0.02 . 1 . . . . . 67 GLY CA . 27796 1 393 . 1 . 1 67 67 GLY N N 15 112.698 0.02 . 1 . . . . . 67 GLY N . 27796 1 394 . 1 . 1 68 68 GLY H H 1 8.269 0.01 . 1 . . . . . 68 GLY HN . 27796 1 395 . 1 . 1 68 68 GLY HA2 H 1 3.936 0.01 . 1 . . . . . 68 GLY HA2 . 27796 1 396 . 1 . 1 68 68 GLY HA3 H 1 3.936 0.01 . 1 . . . . . 68 GLY HA3 . 27796 1 397 . 1 . 1 68 68 GLY C C 13 173.718 0.02 . 1 . . . . . 68 GLY C . 27796 1 398 . 1 . 1 68 68 GLY CA C 13 45.074 0.02 . 1 . . . . . 68 GLY CA . 27796 1 399 . 1 . 1 68 68 GLY N N 15 108.878 0.02 . 1 . . . . . 68 GLY N . 27796 1 400 . 1 . 1 69 69 ALA H H 1 8.2 0.01 . 1 . . . . . 69 ALA HN . 27796 1 401 . 1 . 1 69 69 ALA HA H 1 4.338 0.01 . 1 . . . . . 69 ALA HA . 27796 1 402 . 1 . 1 69 69 ALA C C 13 177.656 0.02 . 1 . . . . . 69 ALA C . 27796 1 403 . 1 . 1 69 69 ALA CA C 13 52.382 0.02 . 1 . . . . . 69 ALA CA . 27796 1 404 . 1 . 1 69 69 ALA CB C 13 19.305 0.02 . 1 . . . . . 69 ALA CB . 27796 1 405 . 1 . 1 69 69 ALA N N 15 123.819 0.02 . 1 . . . . . 69 ALA N . 27796 1 406 . 1 . 1 70 70 VAL H H 1 8.254 0.01 . 1 . . . . . 70 VAL HN . 27796 1 407 . 1 . 1 70 70 VAL HA H 1 4.07 0.01 . 1 . . . . . 70 VAL HA . 27796 1 408 . 1 . 1 70 70 VAL C C 13 176.333 0.02 . 1 . . . . . 70 VAL C . 27796 1 409 . 1 . 1 70 70 VAL CA C 13 62.382 0.02 . 1 . . . . . 70 VAL CA . 27796 1 410 . 1 . 1 70 70 VAL CB C 13 32.69 0.02 . 1 . . . . . 70 VAL CB . 27796 1 411 . 1 . 1 70 70 VAL N N 15 120.639 0.02 . 1 . . . . . 70 VAL N . 27796 1 412 . 1 . 1 71 71 VAL H H 1 8.433 0.01 . 1 . . . . . 71 VAL HN . 27796 1 413 . 1 . 1 71 71 VAL HA H 1 4.201 0.01 . 1 . . . . . 71 VAL HA . 27796 1 414 . 1 . 1 71 71 VAL C C 13 176.284 0.02 . 1 . . . . . 71 VAL C . 27796 1 415 . 1 . 1 71 71 VAL CA C 13 62.074 0.02 . 1 . . . . . 71 VAL CA . 27796 1 416 . 1 . 1 71 71 VAL CB C 13 32.69 0.02 . 1 . . . . . 71 VAL CB . 27796 1 417 . 1 . 1 71 71 VAL N N 15 125.508 0.02 . 1 . . . . . 71 VAL N . 27796 1 418 . 1 . 1 72 72 THR H H 1 8.349 0.01 . 1 . . . . . 72 THR HN . 27796 1 419 . 1 . 1 72 72 THR HA H 1 4.34 0.01 . 1 . . . . . 72 THR HA . 27796 1 420 . 1 . 1 72 72 THR C C 13 174.897 0.02 . 1 . . . . . 72 THR C . 27796 1 421 . 1 . 1 72 72 THR CA C 13 61.997 0.02 . 1 . . . . . 72 THR CA . 27796 1 422 . 1 . 1 72 72 THR CB C 13 69.921 0.02 . 1 . . . . . 72 THR CB . 27796 1 423 . 1 . 1 72 72 THR N N 15 118.811 0.02 . 1 . . . . . 72 THR N . 27796 1 424 . 1 . 1 73 73 GLY H H 1 8.475 0.01 . 1 . . . . . 73 GLY HN . 27796 1 425 . 1 . 1 73 73 GLY HA2 H 1 3.962 0.01 . 1 . . . . . 73 GLY HA2 . 27796 1 426 . 1 . 1 73 73 GLY HA3 H 1 3.962 0.01 . 1 . . . . . 73 GLY HA3 . 27796 1 427 . 1 . 1 73 73 GLY C C 13 174.006 0.02 . 1 . . . . . 73 GLY C . 27796 1 428 . 1 . 1 73 73 GLY CA C 13 45.151 0.02 . 1 . . . . . 73 GLY CA . 27796 1 429 . 1 . 1 73 73 GLY N N 15 111.416 0.02 . 1 . . . . . 73 GLY N . 27796 1 430 . 1 . 1 74 74 VAL H H 1 8.113 0.01 . 1 . . . . . 74 VAL HN . 27796 1 431 . 1 . 1 74 74 VAL HA H 1 4.175 0.01 . 1 . . . . . 74 VAL HA . 27796 1 432 . 1 . 1 74 74 VAL C C 13 176.556 0.02 . 1 . . . . . 74 VAL C . 27796 1 433 . 1 . 1 74 74 VAL CA C 13 62.305 0.02 . 1 . . . . . 74 VAL CA . 27796 1 434 . 1 . 1 74 74 VAL CB C 13 32.844 0.02 . 1 . . . . . 74 VAL CB . 27796 1 435 . 1 . 1 74 74 VAL N N 15 119.557 0.02 . 1 . . . . . 74 VAL N . 27796 1 436 . 1 . 1 75 75 THR H H 1 8.342 0.01 . 1 . . . . . 75 THR HN . 27796 1 437 . 1 . 1 75 75 THR HA H 1 4.292 0.01 . 1 . . . . . 75 THR HA . 27796 1 438 . 1 . 1 75 75 THR C C 13 174.066 0.02 . 1 . . . . . 75 THR C . 27796 1 439 . 1 . 1 75 75 THR CA C 13 62.151 0.02 . 1 . . . . . 75 THR CA . 27796 1 440 . 1 . 1 75 75 THR CB C 13 69.844 0.02 . 1 . . . . . 75 THR CB . 27796 1 441 . 1 . 1 75 75 THR N N 15 119.057 0.02 . 1 . . . . . 75 THR N . 27796 1 442 . 1 . 1 76 76 ALA H H 1 8.412 0.01 . 1 . . . . . 76 ALA HN . 27796 1 443 . 1 . 1 76 76 ALA HA H 1 4.322 0.01 . 1 . . . . . 76 ALA HA . 27796 1 444 . 1 . 1 76 76 ALA C C 13 177.573 0.02 . 1 . . . . . 76 ALA C . 27796 1 445 . 1 . 1 76 76 ALA CA C 13 52.536 0.02 . 1 . . . . . 76 ALA CA . 27796 1 446 . 1 . 1 76 76 ALA CB C 13 19.228 0.02 . 1 . . . . . 76 ALA CB . 27796 1 447 . 1 . 1 76 76 ALA N N 15 127.519 0.02 . 1 . . . . . 76 ALA N . 27796 1 448 . 1 . 1 77 77 VAL H H 1 8.186 0.01 . 1 . . . . . 77 VAL HN . 27796 1 449 . 1 . 1 77 77 VAL HA H 1 4.038 0.01 . 1 . . . . . 77 VAL HA . 27796 1 450 . 1 . 1 77 77 VAL C C 13 176.022 0.02 . 1 . . . . . 77 VAL C . 27796 1 451 . 1 . 1 77 77 VAL CA C 13 62.459 0.02 . 1 . . . . . 77 VAL CA . 27796 1 452 . 1 . 1 77 77 VAL CB C 13 32.69 0.02 . 1 . . . . . 77 VAL CB . 27796 1 453 . 1 . 1 77 77 VAL N N 15 120.222 0.02 . 1 . . . . . 77 VAL N . 27796 1 454 . 1 . 1 78 78 ALA H H 1 8.448 0.01 . 1 . . . . . 78 ALA HN . 27796 1 455 . 1 . 1 78 78 ALA HA H 1 4.27 0.01 . 1 . . . . . 78 ALA HA . 27796 1 456 . 1 . 1 78 78 ALA C C 13 177.636 0.02 . 1 . . . . . 78 ALA C . 27796 1 457 . 1 . 1 78 78 ALA CA C 13 52.613 0.02 . 1 . . . . . 78 ALA CA . 27796 1 458 . 1 . 1 78 78 ALA CB C 13 19.074 0.02 . 1 . . . . . 78 ALA CB . 27796 1 459 . 1 . 1 78 78 ALA N N 15 128.304 0.02 . 1 . . . . . 78 ALA N . 27796 1 460 . 1 . 1 79 79 GLN H H 1 8.432 0.01 . 1 . . . . . 79 GLN HN . 27796 1 461 . 1 . 1 79 79 GLN HA H 1 4.288 0.01 . 1 . . . . . 79 GLN HA . 27796 1 462 . 1 . 1 79 79 GLN C C 13 175.954 0.02 . 1 . . . . . 79 GLN C . 27796 1 463 . 1 . 1 79 79 GLN CA C 13 55.613 0.02 . 1 . . . . . 79 GLN CA . 27796 1 464 . 1 . 1 79 79 GLN CB C 13 29.459 0.02 . 1 . . . . . 79 GLN CB . 27796 1 465 . 1 . 1 79 79 GLN N N 15 120.466 0.02 . 1 . . . . . 79 GLN N . 27796 1 466 . 1 . 1 80 80 LYS H H 1 8.473 0.01 . 1 . . . . . 80 LYS HN . 27796 1 467 . 1 . 1 80 80 LYS HA H 1 4.339 0.01 . 1 . . . . . 80 LYS HA . 27796 1 468 . 1 . 1 80 80 LYS C C 13 176.693 0.02 . 1 . . . . . 80 LYS C . 27796 1 469 . 1 . 1 80 80 LYS CA C 13 56.613 0.02 . 1 . . . . . 80 LYS CA . 27796 1 470 . 1 . 1 80 80 LYS CB C 13 33.074 0.02 . 1 . . . . . 80 LYS CB . 27796 1 471 . 1 . 1 80 80 LYS N N 15 123.407 0.02 . 1 . . . . . 80 LYS N . 27796 1 472 . 1 . 1 81 81 THR H H 1 8.33 0.01 . 1 . . . . . 81 THR HN . 27796 1 473 . 1 . 1 81 81 THR HA H 1 4.338 0.01 . 1 . . . . . 81 THR HA . 27796 1 474 . 1 . 1 81 81 THR C C 13 174.422 0.02 . 1 . . . . . 81 THR C . 27796 1 475 . 1 . 1 81 81 THR CA C 13 62.074 0.02 . 1 . . . . . 81 THR CA . 27796 1 476 . 1 . 1 81 81 THR CB C 13 69.921 0.02 . 1 . . . . . 81 THR CB . 27796 1 477 . 1 . 1 81 81 THR N N 15 117.024 0.02 . 1 . . . . . 81 THR N . 27796 1 478 . 1 . 1 82 82 VAL H H 1 8.341 0.01 . 1 . . . . . 82 VAL HN . 27796 1 479 . 1 . 1 82 82 VAL HA H 1 4.108 0.01 . 1 . . . . . 82 VAL HA . 27796 1 480 . 1 . 1 82 82 VAL C C 13 176.145 0.02 . 1 . . . . . 82 VAL C . 27796 1 481 . 1 . 1 82 82 VAL CA C 13 62.382 0.02 . 1 . . . . . 82 VAL CA . 27796 1 482 . 1 . 1 82 82 VAL CB C 13 32.767 0.02 . 1 . . . . . 82 VAL CB . 27796 1 483 . 1 . 1 82 82 VAL N N 15 123.291 0.02 . 1 . . . . . 82 VAL N . 27796 1 484 . 1 . 1 83 83 GLU H H 1 8.612 0.01 . 1 . . . . . 83 GLU HN . 27796 1 485 . 1 . 1 83 83 GLU HA H 1 4.252 0.01 . 1 . . . . . 83 GLU HA . 27796 1 486 . 1 . 1 83 83 GLU C C 13 177.03 0.02 . 1 . . . . . 83 GLU C . 27796 1 487 . 1 . 1 83 83 GLU CA C 13 56.921 0.02 . 1 . . . . . 83 GLU CA . 27796 1 488 . 1 . 1 83 83 GLU CB C 13 30.151 0.02 . 1 . . . . . 83 GLU CB . 27796 1 489 . 1 . 1 83 83 GLU N N 15 125.411 0.02 . 1 . . . . . 83 GLU N . 27796 1 490 . 1 . 1 84 84 GLY H H 1 8.555 0.01 . 1 . . . . . 84 GLY HN . 27796 1 491 . 1 . 1 84 84 GLY HA2 H 1 3.948 0.01 . 1 . . . . . 84 GLY HA2 . 27796 1 492 . 1 . 1 84 84 GLY HA3 H 1 3.948 0.01 . 1 . . . . . 84 GLY HA3 . 27796 1 493 . 1 . 1 84 84 GLY C C 13 174.148 0.02 . 1 . . . . . 84 GLY C . 27796 1 494 . 1 . 1 84 84 GLY CA C 13 45.382 0.02 . 1 . . . . . 84 GLY CA . 27796 1 495 . 1 . 1 84 84 GLY N N 15 110.85 0.02 . 1 . . . . . 84 GLY N . 27796 1 496 . 1 . 1 85 85 ALA H H 1 8.295 0.01 . 1 . . . . . 85 ALA HN . 27796 1 497 . 1 . 1 85 85 ALA HA H 1 4.29 0.01 . 1 . . . . . 85 ALA HA . 27796 1 498 . 1 . 1 85 85 ALA C C 13 178.497 0.02 . 1 . . . . . 85 ALA C . 27796 1 499 . 1 . 1 85 85 ALA CA C 13 53.074 0.02 . 1 . . . . . 85 ALA CA . 27796 1 500 . 1 . 1 85 85 ALA CB C 13 19.151 0.02 . 1 . . . . . 85 ALA CB . 27796 1 501 . 1 . 1 85 85 ALA N N 15 123.952 0.02 . 1 . . . . . 85 ALA N . 27796 1 502 . 1 . 1 86 86 GLY H H 1 8.534 0.01 . 1 . . . . . 86 GLY HN . 27796 1 503 . 1 . 1 86 86 GLY HA2 H 1 3.96 0.01 . 1 . . . . . 86 GLY HA2 . 27796 1 504 . 1 . 1 86 86 GLY HA3 H 1 3.96 0.01 . 1 . . . . . 86 GLY HA3 . 27796 1 505 . 1 . 1 86 86 GLY C C 13 174.291 0.02 . 1 . . . . . 86 GLY C . 27796 1 506 . 1 . 1 86 86 GLY CA C 13 45.228 0.02 . 1 . . . . . 86 GLY CA . 27796 1 507 . 1 . 1 86 86 GLY N N 15 108.25 0.02 . 1 . . . . . 86 GLY N . 27796 1 508 . 1 . 1 87 87 SER H H 1 8.186 0.01 . 1 . . . . . 87 SER HN . 27796 1 509 . 1 . 1 87 87 SER HA H 1 4.453 0.01 . 1 . . . . . 87 SER HA . 27796 1 510 . 1 . 1 87 87 SER C C 13 174.71 0.02 . 1 . . . . . 87 SER C . 27796 1 511 . 1 . 1 87 87 SER CA C 13 58.536 0.02 . 1 . . . . . 87 SER CA . 27796 1 512 . 1 . 1 87 87 SER CB C 13 63.921 0.02 . 1 . . . . . 87 SER CB . 27796 1 513 . 1 . 1 87 87 SER N N 15 115.748 0.02 . 1 . . . . . 87 SER N . 27796 1 514 . 1 . 1 88 88 ILE H H 1 8.233 0.01 . 1 . . . . . 88 ILE HN . 27796 1 515 . 1 . 1 88 88 ILE HA H 1 4.151 0.01 . 1 . . . . . 88 ILE HA . 27796 1 516 . 1 . 1 88 88 ILE C C 13 176.285 0.02 . 1 . . . . . 88 ILE C . 27796 1 517 . 1 . 1 88 88 ILE CA C 13 61.382 0.02 . 1 . . . . . 88 ILE CA . 27796 1 518 . 1 . 1 88 88 ILE CB C 13 38.69 0.02 . 1 . . . . . 88 ILE CB . 27796 1 519 . 1 . 1 88 88 ILE N N 15 122.919 0.02 . 1 . . . . . 88 ILE N . 27796 1 520 . 1 . 1 89 89 ALA H H 1 8.387 0.01 . 1 . . . . . 89 ALA HN . 27796 1 521 . 1 . 1 89 89 ALA HA H 1 4.233 0.01 . 1 . . . . . 89 ALA HA . 27796 1 522 . 1 . 1 89 89 ALA C C 13 177.574 0.02 . 1 . . . . . 89 ALA C . 27796 1 523 . 1 . 1 89 89 ALA CA C 13 52.767 0.02 . 1 . . . . . 89 ALA CA . 27796 1 524 . 1 . 1 89 89 ALA CB C 13 18.997 0.02 . 1 . . . . . 89 ALA CB . 27796 1 525 . 1 . 1 89 89 ALA N N 15 128.169 0.02 . 1 . . . . . 89 ALA N . 27796 1 526 . 1 . 1 90 90 ALA H H 1 8.249 0.01 . 1 . . . . . 90 ALA HN . 27796 1 527 . 1 . 1 90 90 ALA HA H 1 4.232 0.01 . 1 . . . . . 90 ALA HA . 27796 1 528 . 1 . 1 90 90 ALA C C 13 177.728 0.02 . 1 . . . . . 90 ALA C . 27796 1 529 . 1 . 1 90 90 ALA CA C 13 52.459 0.02 . 1 . . . . . 90 ALA CA . 27796 1 530 . 1 . 1 90 90 ALA CB C 13 19.074 0.02 . 1 . . . . . 90 ALA CB . 27796 1 531 . 1 . 1 90 90 ALA N N 15 123.389 0.02 . 1 . . . . . 90 ALA N . 27796 1 532 . 1 . 1 91 91 ALA H H 1 8.331 0.01 . 1 . . . . . 91 ALA HN . 27796 1 533 . 1 . 1 91 91 ALA HA H 1 4.322 0.01 . 1 . . . . . 91 ALA HA . 27796 1 534 . 1 . 1 91 91 ALA C C 13 178.141 0.02 . 1 . . . . . 91 ALA C . 27796 1 535 . 1 . 1 91 91 ALA CA C 13 52.767 0.02 . 1 . . . . . 91 ALA CA . 27796 1 536 . 1 . 1 91 91 ALA CB C 13 19.074 0.02 . 1 . . . . . 91 ALA CB . 27796 1 537 . 1 . 1 91 91 ALA N N 15 123.542 0.02 . 1 . . . . . 91 ALA N . 27796 1 538 . 1 . 1 92 92 THR H H 1 8.133 0.01 . 1 . . . . . 92 THR HN . 27796 1 539 . 1 . 1 92 92 THR HA H 1 4.288 0.01 . 1 . . . . . 92 THR HA . 27796 1 540 . 1 . 1 92 92 THR C C 13 175.155 0.02 . 1 . . . . . 92 THR C . 27796 1 541 . 1 . 1 92 92 THR CA C 13 62.228 0.02 . 1 . . . . . 92 THR CA . 27796 1 542 . 1 . 1 92 92 THR CB C 13 69.921 0.02 . 1 . . . . . 92 THR CB . 27796 1 543 . 1 . 1 92 92 THR N N 15 112.737 0.02 . 1 . . . . . 92 THR N . 27796 1 544 . 1 . 1 93 93 GLY H H 1 8.345 0.01 . 1 . . . . . 93 GLY HN . 27796 1 545 . 1 . 1 93 93 GLY HA2 H 1 3.905 0.01 . 1 . . . . . 93 GLY HA2 . 27796 1 546 . 1 . 1 93 93 GLY HA3 H 1 3.905 0.01 . 1 . . . . . 93 GLY HA3 . 27796 1 547 . 1 . 1 93 93 GLY C C 13 173.61 0.02 . 1 . . . . . 93 GLY C . 27796 1 548 . 1 . 1 93 93 GLY CA C 13 45.228 0.02 . 1 . . . . . 93 GLY CA . 27796 1 549 . 1 . 1 93 93 GLY N N 15 110.762 0.02 . 1 . . . . . 93 GLY N . 27796 1 550 . 1 . 1 94 94 PHE H H 1 8.126 0.01 . 1 . . . . . 94 PHE HN . 27796 1 551 . 1 . 1 94 94 PHE HA H 1 4.611 0.01 . 1 . . . . . 94 PHE HA . 27796 1 552 . 1 . 1 94 94 PHE C C 13 175.472 0.02 . 1 . . . . . 94 PHE C . 27796 1 553 . 1 . 1 94 94 PHE CA C 13 57.997 0.02 . 1 . . . . . 94 PHE CA . 27796 1 554 . 1 . 1 94 94 PHE CB C 13 39.69 0.02 . 1 . . . . . 94 PHE CB . 27796 1 555 . 1 . 1 94 94 PHE N N 15 120.456 0.02 . 1 . . . . . 94 PHE N . 27796 1 556 . 1 . 1 95 95 VAL H H 1 8.093 0.01 . 1 . . . . . 95 VAL HN . 27796 1 557 . 1 . 1 95 95 VAL HA H 1 3.993 0.01 . 1 . . . . . 95 VAL HA . 27796 1 558 . 1 . 1 95 95 VAL C C 13 175.403 0.02 . 1 . . . . . 95 VAL C . 27796 1 559 . 1 . 1 95 95 VAL CA C 13 62.151 0.02 . 1 . . . . . 95 VAL CA . 27796 1 560 . 1 . 1 95 95 VAL CB C 13 33.074 0.02 . 1 . . . . . 95 VAL CB . 27796 1 561 . 1 . 1 95 95 VAL N N 15 123.949 0.02 . 1 . . . . . 95 VAL N . 27796 1 562 . 1 . 1 96 96 LYS H H 1 8.431 0.01 . 1 . . . . . 96 LYS HN . 27796 1 563 . 1 . 1 96 96 LYS HA H 1 4.19 0.01 . 1 . . . . . 96 LYS HA . 27796 1 564 . 1 . 1 96 96 LYS C C 13 176.486 0.02 . 1 . . . . . 96 LYS C . 27796 1 565 . 1 . 1 96 96 LYS CA C 13 56.613 0.02 . 1 . . . . . 96 LYS CA . 27796 1 566 . 1 . 1 96 96 LYS CB C 13 32.997 0.02 . 1 . . . . . 96 LYS CB . 27796 1 567 . 1 . 1 96 96 LYS N N 15 126.511 0.02 . 1 . . . . . 96 LYS N . 27796 1 568 . 1 . 1 97 97 LYS H H 1 8.51 0.01 . 1 . . . . . 97 LYS HN . 27796 1 569 . 1 . 1 97 97 LYS HA H 1 4.266 0.01 . 1 . . . . . 97 LYS HA . 27796 1 570 . 1 . 1 97 97 LYS C C 13 176.374 0.02 . 1 . . . . . 97 LYS C . 27796 1 571 . 1 . 1 97 97 LYS CA C 13 56.613 0.02 . 1 . . . . . 97 LYS CA . 27796 1 572 . 1 . 1 97 97 LYS CB C 13 33.151 0.02 . 1 . . . . . 97 LYS CB . 27796 1 573 . 1 . 1 97 97 LYS N N 15 123.803 0.02 . 1 . . . . . 97 LYS N . 27796 1 574 . 1 . 1 98 98 ASP H H 1 8.438 0.01 . 1 . . . . . 98 ASP HN . 27796 1 575 . 1 . 1 98 98 ASP HA H 1 4.553 0.01 . 1 . . . . . 98 ASP HA . 27796 1 576 . 1 . 1 98 98 ASP C C 13 176.201 0.02 . 1 . . . . . 98 ASP C . 27796 1 577 . 1 . 1 98 98 ASP CA C 13 54.459 0.02 . 1 . . . . . 98 ASP CA . 27796 1 578 . 1 . 1 98 98 ASP CB C 13 40.921 0.02 . 1 . . . . . 98 ASP CB . 27796 1 579 . 1 . 1 98 98 ASP N N 15 121.279 0.02 . 1 . . . . . 98 ASP N . 27796 1 580 . 1 . 1 99 99 GLN H H 1 8.374 0.01 . 1 . . . . . 99 GLN HN . 27796 1 581 . 1 . 1 99 99 GLN HA H 1 4.271 0.01 . 1 . . . . . 99 GLN HA . 27796 1 582 . 1 . 1 99 99 GLN C C 13 176.034 0.02 . 1 . . . . . 99 GLN C . 27796 1 583 . 1 . 1 99 99 GLN CA C 13 55.844 0.02 . 1 . . . . . 99 GLN CA . 27796 1 584 . 1 . 1 99 99 GLN CB C 13 29.382 0.02 . 1 . . . . . 99 GLN CB . 27796 1 585 . 1 . 1 99 99 GLN N N 15 120.339 0.02 . 1 . . . . . 99 GLN N . 27796 1 586 . 1 . 1 100 100 LEU H H 1 8.331 0.01 . 1 . . . . . 100 LEU HN . 27796 1 587 . 1 . 1 100 100 LEU HA H 1 4.304 0.01 . 1 . . . . . 100 LEU HA . 27796 1 588 . 1 . 1 100 100 LEU C C 13 178.005 0.02 . 1 . . . . . 100 LEU C . 27796 1 589 . 1 . 1 100 100 LEU CA C 13 55.459 0.02 . 1 . . . . . 100 LEU CA . 27796 1 590 . 1 . 1 100 100 LEU CB C 13 42.228 0.02 . 1 . . . . . 100 LEU CB . 27796 1 591 . 1 . 1 100 100 LEU N N 15 122.988 0.02 . 1 . . . . . 100 LEU N . 27796 1 592 . 1 . 1 101 101 GLY H H 1 8.518 0.01 . 1 . . . . . 101 GLY HN . 27796 1 593 . 1 . 1 101 101 GLY HA2 H 1 3.911 0.01 . 1 . . . . . 101 GLY HA2 . 27796 1 594 . 1 . 1 101 101 GLY HA3 H 1 3.911 0.01 . 1 . . . . . 101 GLY HA3 . 27796 1 595 . 1 . 1 101 101 GLY C C 13 174.084 0.02 . 1 . . . . . 101 GLY C . 27796 1 596 . 1 . 1 101 101 GLY CA C 13 45.382 0.02 . 1 . . . . . 101 GLY CA . 27796 1 597 . 1 . 1 101 101 GLY N N 15 109.892 0.02 . 1 . . . . . 101 GLY N . 27796 1 598 . 1 . 1 102 102 LYS H H 1 8.25 0.01 . 1 . . . . . 102 LYS HN . 27796 1 599 . 1 . 1 102 102 LYS HA H 1 4.294 0.01 . 1 . . . . . 102 LYS HA . 27796 1 600 . 1 . 1 102 102 LYS C C 13 176.466 0.02 . 1 . . . . . 102 LYS C . 27796 1 601 . 1 . 1 102 102 LYS CA C 13 56.305 0.02 . 1 . . . . . 102 LYS CA . 27796 1 602 . 1 . 1 102 102 LYS CB C 13 33.151 0.02 . 1 . . . . . 102 LYS CB . 27796 1 603 . 1 . 1 102 102 LYS N N 15 120.883 0.02 . 1 . . . . . 102 LYS N . 27796 1 604 . 1 . 1 103 103 ASN H H 1 8.656 0.01 . 1 . . . . . 103 ASN HN . 27796 1 605 . 1 . 1 103 103 ASN HA H 1 4.672 0.01 . 1 . . . . . 103 ASN HA . 27796 1 606 . 1 . 1 103 103 ASN C C 13 175.285 0.02 . 1 . . . . . 103 ASN C . 27796 1 607 . 1 . 1 103 103 ASN CA C 13 53.382 0.02 . 1 . . . . . 103 ASN CA . 27796 1 608 . 1 . 1 103 103 ASN CB C 13 38.767 0.02 . 1 . . . . . 103 ASN CB . 27796 1 609 . 1 . 1 103 103 ASN N N 15 120.05 0.02 . 1 . . . . . 103 ASN N . 27796 1 610 . 1 . 1 104 104 GLU H H 1 8.509 0.01 . 1 . . . . . 104 GLU HN . 27796 1 611 . 1 . 1 104 104 GLU HA H 1 4.275 0.01 . 1 . . . . . 104 GLU HA . 27796 1 612 . 1 . 1 104 104 GLU C C 13 176.536 0.02 . 1 . . . . . 104 GLU C . 27796 1 613 . 1 . 1 104 104 GLU CA C 13 56.69 0.02 . 1 . . . . . 104 GLU CA . 27796 1 614 . 1 . 1 104 104 GLU CB C 13 30.151 0.02 . 1 . . . . . 104 GLU CB . 27796 1 615 . 1 . 1 104 104 GLU N N 15 121.456 0.02 . 1 . . . . . 104 GLU N . 27796 1 616 . 1 . 1 105 105 GLU H H 1 8.497 0.01 . 1 . . . . . 105 GLU HN . 27796 1 617 . 1 . 1 105 105 GLU HA H 1 4.238 0.01 . 1 . . . . . 105 GLU HA . 27796 1 618 . 1 . 1 105 105 GLU C C 13 177.022 0.02 . 1 . . . . . 105 GLU C . 27796 1 619 . 1 . 1 105 105 GLU CA C 13 56.997 0.02 . 1 . . . . . 105 GLU CA . 27796 1 620 . 1 . 1 105 105 GLU CB C 13 30.074 0.02 . 1 . . . . . 105 GLU CB . 27796 1 621 . 1 . 1 105 105 GLU N N 15 121.927 0.02 . 1 . . . . . 105 GLU N . 27796 1 622 . 1 . 1 106 106 GLY H H 1 8.472 0.01 . 1 . . . . . 106 GLY HN . 27796 1 623 . 1 . 1 106 106 GLY HA2 H 1 3.907 0.01 . 1 . . . . . 106 GLY HA2 . 27796 1 624 . 1 . 1 106 106 GLY HA3 H 1 3.907 0.01 . 1 . . . . . 106 GLY HA3 . 27796 1 625 . 1 . 1 106 106 GLY C C 13 173.42 0.02 . 1 . . . . . 106 GLY C . 27796 1 626 . 1 . 1 106 106 GLY CA C 13 45.074 0.02 . 1 . . . . . 106 GLY CA . 27796 1 627 . 1 . 1 106 106 GLY N N 15 110.368 0.02 . 1 . . . . . 106 GLY N . 27796 1 628 . 1 . 1 107 107 ALA H H 1 8.163 0.01 . 1 . . . . . 107 ALA HN . 27796 1 629 . 1 . 1 107 107 ALA HA H 1 4.577 0.01 . 1 . . . . . 107 ALA HA . 27796 1 630 . 1 . 1 107 107 ALA CA C 13 50.613 0.02 . 1 . . . . . 107 ALA CA . 27796 1 631 . 1 . 1 107 107 ALA CB C 13 18.074 0.02 . 1 . . . . . 107 ALA CB . 27796 1 632 . 1 . 1 107 107 ALA N N 15 125.027 0.02 . 1 . . . . . 107 ALA N . 27796 1 633 . 1 . 1 108 108 PRO C C 13 177.043 0.02 . 1 . . . . . 108 PRO C . 27796 1 634 . 1 . 1 108 108 PRO CA C 13 63.151 0.02 . 1 . . . . . 108 PRO CA . 27796 1 635 . 1 . 1 108 108 PRO CB C 13 31.997 0.02 . 1 . . . . . 108 PRO CB . 27796 1 636 . 1 . 1 109 109 GLN H H 1 8.631 0.01 . 1 . . . . . 109 GLN HN . 27796 1 637 . 1 . 1 109 109 GLN HA H 1 4.288 0.01 . 1 . . . . . 109 GLN HA . 27796 1 638 . 1 . 1 109 109 GLN C C 13 175.979 0.02 . 1 . . . . . 109 GLN C . 27796 1 639 . 1 . 1 109 109 GLN CA C 13 55.69 0.02 . 1 . . . . . 109 GLN CA . 27796 1 640 . 1 . 1 109 109 GLN CB C 13 29.613 0.02 . 1 . . . . . 109 GLN CB . 27796 1 641 . 1 . 1 109 109 GLN N N 15 121.286 0.02 . 1 . . . . . 109 GLN N . 27796 1 642 . 1 . 1 110 110 GLU H H 1 8.565 0.01 . 1 . . . . . 110 GLU HN . 27796 1 643 . 1 . 1 110 110 GLU HA H 1 4.291 0.01 . 1 . . . . . 110 GLU HA . 27796 1 644 . 1 . 1 110 110 GLU C C 13 176.845 0.02 . 1 . . . . . 110 GLU C . 27796 1 645 . 1 . 1 110 110 GLU CA C 13 56.69 0.02 . 1 . . . . . 110 GLU CA . 27796 1 646 . 1 . 1 110 110 GLU CB C 13 30.382 0.02 . 1 . . . . . 110 GLU CB . 27796 1 647 . 1 . 1 110 110 GLU N N 15 122.654 0.02 . 1 . . . . . 110 GLU N . 27796 1 648 . 1 . 1 111 111 GLY H H 1 8.523 0.01 . 1 . . . . . 111 GLY HN . 27796 1 649 . 1 . 1 111 111 GLY HA2 H 1 3.935 0.01 . 1 . . . . . 111 GLY HA2 . 27796 1 650 . 1 . 1 111 111 GLY HA3 H 1 3.935 0.01 . 1 . . . . . 111 GLY HA3 . 27796 1 651 . 1 . 1 111 111 GLY C C 13 173.753 0.02 . 1 . . . . . 111 GLY C . 27796 1 652 . 1 . 1 111 111 GLY CA C 13 45.305 0.02 . 1 . . . . . 111 GLY CA . 27796 1 653 . 1 . 1 111 111 GLY N N 15 110.456 0.02 . 1 . . . . . 111 GLY N . 27796 1 654 . 1 . 1 112 112 ILE H H 1 8.044 0.01 . 1 . . . . . 112 ILE HN . 27796 1 655 . 1 . 1 112 112 ILE HA H 1 4.155 0.01 . 1 . . . . . 112 ILE HA . 27796 1 656 . 1 . 1 112 112 ILE C C 13 176.27 0.02 . 1 . . . . . 112 ILE C . 27796 1 657 . 1 . 1 112 112 ILE CA C 13 60.997 0.02 . 1 . . . . . 112 ILE CA . 27796 1 658 . 1 . 1 112 112 ILE CB C 13 38.613 0.02 . 1 . . . . . 112 ILE CB . 27796 1 659 . 1 . 1 112 112 ILE N N 15 120.246 0.02 . 1 . . . . . 112 ILE N . 27796 1 660 . 1 . 1 113 113 LEU H H 1 8.453 0.01 . 1 . . . . . 113 LEU HN . 27796 1 661 . 1 . 1 113 113 LEU HA H 1 4.371 0.01 . 1 . . . . . 113 LEU HA . 27796 1 662 . 1 . 1 113 113 LEU C C 13 177.155 0.02 . 1 . . . . . 113 LEU C . 27796 1 663 . 1 . 1 113 113 LEU CA C 13 55.151 0.02 . 1 . . . . . 113 LEU CA . 27796 1 664 . 1 . 1 113 113 LEU CB C 13 42.305 0.02 . 1 . . . . . 113 LEU CB . 27796 1 665 . 1 . 1 113 113 LEU N N 15 127.219 0.02 . 1 . . . . . 113 LEU N . 27796 1 666 . 1 . 1 114 114 GLU H H 1 8.459 0.01 . 1 . . . . . 114 GLU HN . 27796 1 667 . 1 . 1 114 114 GLU HA H 1 4.236 0.01 . 1 . . . . . 114 GLU HA . 27796 1 668 . 1 . 1 114 114 GLU C C 13 175.87 0.02 . 1 . . . . . 114 GLU C . 27796 1 669 . 1 . 1 114 114 GLU CA C 13 56.459 0.02 . 1 . . . . . 114 GLU CA . 27796 1 670 . 1 . 1 114 114 GLU CB C 13 30.69 0.02 . 1 . . . . . 114 GLU CB . 27796 1 671 . 1 . 1 114 114 GLU N N 15 122.397 0.02 . 1 . . . . . 114 GLU N . 27796 1 672 . 1 . 1 115 115 ASP H H 1 8.4 0.01 . 1 . . . . . 115 ASP HN . 27796 1 673 . 1 . 1 115 115 ASP HA H 1 4.561 0.01 . 1 . . . . . 115 ASP HA . 27796 1 674 . 1 . 1 115 115 ASP C C 13 175.774 0.02 . 1 . . . . . 115 ASP C . 27796 1 675 . 1 . 1 115 115 ASP CA C 13 54.382 0.02 . 1 . . . . . 115 ASP CA . 27796 1 676 . 1 . 1 115 115 ASP CB C 13 41.074 0.02 . 1 . . . . . 115 ASP CB . 27796 1 677 . 1 . 1 115 115 ASP N N 15 121.534 0.02 . 1 . . . . . 115 ASP N . 27796 1 678 . 1 . 1 116 116 MET H H 1 8.303 0.01 . 1 . . . . . 116 MET HN . 27796 1 679 . 1 . 1 116 116 MET HA H 1 4.768 0.01 . 1 . . . . . 116 MET HA . 27796 1 680 . 1 . 1 116 116 MET CA C 13 53.305 0.02 . 1 . . . . . 116 MET CA . 27796 1 681 . 1 . 1 116 116 MET CB C 13 32.228 0.02 . 1 . . . . . 116 MET CB . 27796 1 682 . 1 . 1 116 116 MET N N 15 122.195 0.02 . 1 . . . . . 116 MET N . 27796 1 683 . 1 . 1 117 117 PRO C C 13 176.702 0.02 . 1 . . . . . 117 PRO C . 27796 1 684 . 1 . 1 117 117 PRO CA C 13 63.074 0.02 . 1 . . . . . 117 PRO CA . 27796 1 685 . 1 . 1 117 117 PRO CB C 13 32.151 0.02 . 1 . . . . . 117 PRO CB . 27796 1 686 . 1 . 1 118 118 VAL H H 1 8.346 0.01 . 1 . . . . . 118 VAL HN . 27796 1 687 . 1 . 1 118 118 VAL HA H 1 4.044 0.01 . 1 . . . . . 118 VAL HA . 27796 1 688 . 1 . 1 118 118 VAL C C 13 175.759 0.02 . 1 . . . . . 118 VAL C . 27796 1 689 . 1 . 1 118 118 VAL CA C 13 62.151 0.02 . 1 . . . . . 118 VAL CA . 27796 1 690 . 1 . 1 118 118 VAL CB C 13 32.997 0.02 . 1 . . . . . 118 VAL CB . 27796 1 691 . 1 . 1 118 118 VAL N N 15 120.976 0.02 . 1 . . . . . 118 VAL N . 27796 1 692 . 1 . 1 119 119 ASP H H 1 8.563 0.01 . 1 . . . . . 119 ASP HN . 27796 1 693 . 1 . 1 119 119 ASP HA H 1 4.852 0.01 . 1 . . . . . 119 ASP HA . 27796 1 694 . 1 . 1 119 119 ASP CA C 13 52.151 0.02 . 1 . . . . . 119 ASP CA . 27796 1 695 . 1 . 1 119 119 ASP CB C 13 40.997 0.02 . 1 . . . . . 119 ASP CB . 27796 1 696 . 1 . 1 119 119 ASP N N 15 126.069 0.02 . 1 . . . . . 119 ASP N . 27796 1 697 . 1 . 1 120 120 PRO C C 13 176.907 0.02 . 1 . . . . . 120 PRO C . 27796 1 698 . 1 . 1 120 120 PRO CA C 13 63.69 0.02 . 1 . . . . . 120 PRO CA . 27796 1 699 . 1 . 1 120 120 PRO CB C 13 32.151 0.02 . 1 . . . . . 120 PRO CB . 27796 1 700 . 1 . 1 121 121 ASP H H 1 8.416 0.01 . 1 . . . . . 121 ASP HN . 27796 1 701 . 1 . 1 121 121 ASP HA H 1 4.586 0.01 . 1 . . . . . 121 ASP HA . 27796 1 702 . 1 . 1 121 121 ASP C C 13 176.159 0.02 . 1 . . . . . 121 ASP C . 27796 1 703 . 1 . 1 121 121 ASP CA C 13 54.69 0.02 . 1 . . . . . 121 ASP CA . 27796 1 704 . 1 . 1 121 121 ASP CB C 13 40.844 0.02 . 1 . . . . . 121 ASP CB . 27796 1 705 . 1 . 1 121 121 ASP N N 15 119.341 0.02 . 1 . . . . . 121 ASP N . 27796 1 706 . 1 . 1 122 122 ASN H H 1 8.144 0.01 . 1 . . . . . 122 ASN HN . 27796 1 707 . 1 . 1 122 122 ASN HA H 1 4.668 0.01 . 1 . . . . . 122 ASN HA . 27796 1 708 . 1 . 1 122 122 ASN C C 13 175.389 0.02 . 1 . . . . . 122 ASN C . 27796 1 709 . 1 . 1 122 122 ASN CA C 13 53.536 0.02 . 1 . . . . . 122 ASN CA . 27796 1 710 . 1 . 1 122 122 ASN CB C 13 39.305 0.02 . 1 . . . . . 122 ASN CB . 27796 1 711 . 1 . 1 122 122 ASN N N 15 119.19 0.02 . 1 . . . . . 122 ASN N . 27796 1 712 . 1 . 1 123 123 GLU H H 1 8.419 0.01 . 1 . . . . . 123 GLU HN . 27796 1 713 . 1 . 1 123 123 GLU HA H 1 4.186 0.01 . 1 . . . . . 123 GLU HA . 27796 1 714 . 1 . 1 123 123 GLU C C 13 176.077 0.02 . 1 . . . . . 123 GLU C . 27796 1 715 . 1 . 1 123 123 GLU CA C 13 56.921 0.02 . 1 . . . . . 123 GLU CA . 27796 1 716 . 1 . 1 123 123 GLU CB C 13 30.074 0.02 . 1 . . . . . 123 GLU CB . 27796 1 717 . 1 . 1 123 123 GLU N N 15 121.908 0.02 . 1 . . . . . 123 GLU N . 27796 1 718 . 1 . 1 124 124 ALA H H 1 8.267 0.01 . 1 . . . . . 124 ALA HN . 27796 1 719 . 1 . 1 124 124 ALA HA H 1 4.256 0.01 . 1 . . . . . 124 ALA HA . 27796 1 720 . 1 . 1 124 124 ALA C C 13 177.215 0.02 . 1 . . . . . 124 ALA C . 27796 1 721 . 1 . 1 124 124 ALA CA C 13 52.459 0.02 . 1 . . . . . 124 ALA CA . 27796 1 722 . 1 . 1 124 124 ALA CB C 13 19.074 0.02 . 1 . . . . . 124 ALA CB . 27796 1 723 . 1 . 1 124 124 ALA N N 15 124.461 0.02 . 1 . . . . . 124 ALA N . 27796 1 724 . 1 . 1 125 125 TYR H H 1 8.064 0.01 . 1 . . . . . 125 TYR HN . 27796 1 725 . 1 . 1 125 125 TYR HA H 1 4.507 0.01 . 1 . . . . . 125 TYR HA . 27796 1 726 . 1 . 1 125 125 TYR C C 13 175.325 0.02 . 1 . . . . . 125 TYR C . 27796 1 727 . 1 . 1 125 125 TYR CA C 13 57.921 0.02 . 1 . . . . . 125 TYR CA . 27796 1 728 . 1 . 1 125 125 TYR CB C 13 38.997 0.02 . 1 . . . . . 125 TYR CB . 27796 1 729 . 1 . 1 125 125 TYR N N 15 120.115 0.02 . 1 . . . . . 125 TYR N . 27796 1 730 . 1 . 1 126 126 GLU H H 1 8.161 0.01 . 1 . . . . . 126 GLU HN . 27796 1 731 . 1 . 1 126 126 GLU HA H 1 4.234 0.01 . 1 . . . . . 126 GLU HA . 27796 1 732 . 1 . 1 126 126 GLU C C 13 175.401 0.02 . 1 . . . . . 126 GLU C . 27796 1 733 . 1 . 1 126 126 GLU CA C 13 55.69 0.02 . 1 . . . . . 126 GLU CA . 27796 1 734 . 1 . 1 126 126 GLU CB C 13 30.69 0.02 . 1 . . . . . 126 GLU CB . 27796 1 735 . 1 . 1 126 126 GLU N N 15 123.944 0.02 . 1 . . . . . 126 GLU N . 27796 1 736 . 1 . 1 127 127 MET H H 1 8.46 0.01 . 1 . . . . . 127 MET HN . 27796 1 737 . 1 . 1 127 127 MET HA H 1 4.656 0.01 . 1 . . . . . 127 MET HA . 27796 1 738 . 1 . 1 127 127 MET CA C 13 53.382 0.02 . 1 . . . . . 127 MET CA . 27796 1 739 . 1 . 1 127 127 MET CB C 13 32.69 0.02 . 1 . . . . . 127 MET CB . 27796 1 740 . 1 . 1 127 127 MET N N 15 123.956 0.02 . 1 . . . . . 127 MET N . 27796 1 741 . 1 . 1 128 128 PRO C C 13 176.866 0.02 . 1 . . . . . 128 PRO C . 27796 1 742 . 1 . 1 128 128 PRO CA C 13 63.074 0.02 . 1 . . . . . 128 PRO CA . 27796 1 743 . 1 . 1 128 128 PRO CB C 13 32.151 0.02 . 1 . . . . . 128 PRO CB . 27796 1 744 . 1 . 1 129 129 SER H H 1 8.529 0.01 . 1 . . . . . 129 SER HN . 27796 1 745 . 1 . 1 129 129 SER HA H 1 4.4 0.01 . 1 . . . . . 129 SER HA . 27796 1 746 . 1 . 1 129 129 SER C C 13 174.795 0.02 . 1 . . . . . 129 SER C . 27796 1 747 . 1 . 1 129 129 SER CA C 13 58.459 0.02 . 1 . . . . . 129 SER CA . 27796 1 748 . 1 . 1 129 129 SER CB C 13 63.997 0.02 . 1 . . . . . 129 SER CB . 27796 1 749 . 1 . 1 129 129 SER N N 15 116.901 0.02 . 1 . . . . . 129 SER N . 27796 1 750 . 1 . 1 130 130 GLU H H 1 8.616 0.01 . 1 . . . . . 130 GLU HN . 27796 1 751 . 1 . 1 130 130 GLU HA H 1 4.294 0.01 . 1 . . . . . 130 GLU HA . 27796 1 752 . 1 . 1 130 130 GLU C C 13 176.528 0.02 . 1 . . . . . 130 GLU C . 27796 1 753 . 1 . 1 130 130 GLU CA C 13 56.69 0.02 . 1 . . . . . 130 GLU CA . 27796 1 754 . 1 . 1 130 130 GLU CB C 13 30.151 0.02 . 1 . . . . . 130 GLU CB . 27796 1 755 . 1 . 1 130 130 GLU N N 15 123.294 0.02 . 1 . . . . . 130 GLU N . 27796 1 756 . 1 . 1 131 131 GLU H H 1 8.505 0.01 . 1 . . . . . 131 GLU HN . 27796 1 757 . 1 . 1 131 131 GLU HA H 1 4.223 0.01 . 1 . . . . . 131 GLU HA . 27796 1 758 . 1 . 1 131 131 GLU C C 13 176.957 0.02 . 1 . . . . . 131 GLU C . 27796 1 759 . 1 . 1 131 131 GLU CA C 13 57.074 0.02 . 1 . . . . . 131 GLU CA . 27796 1 760 . 1 . 1 131 131 GLU CB C 13 30.151 0.02 . 1 . . . . . 131 GLU CB . 27796 1 761 . 1 . 1 131 131 GLU N N 15 122.019 0.02 . 1 . . . . . 131 GLU N . 27796 1 762 . 1 . 1 132 132 GLY H H 1 8.475 0.01 . 1 . . . . . 132 GLY HN . 27796 1 763 . 1 . 1 132 132 GLY HA2 H 1 3.904 0.01 . 1 . . . . . 132 GLY HA2 . 27796 1 764 . 1 . 1 132 132 GLY HA3 H 1 3.904 0.01 . 1 . . . . . 132 GLY HA3 . 27796 1 765 . 1 . 1 132 132 GLY C C 13 173.831 0.02 . 1 . . . . . 132 GLY C . 27796 1 766 . 1 . 1 132 132 GLY CA C 13 45.151 0.02 . 1 . . . . . 132 GLY CA . 27796 1 767 . 1 . 1 132 132 GLY N N 15 110.189 0.02 . 1 . . . . . 132 GLY N . 27796 1 768 . 1 . 1 133 133 TYR H H 1 8.095 0.01 . 1 . . . . . 133 TYR HN . 27796 1 769 . 1 . 1 133 133 TYR HA H 1 4.505 0.01 . 1 . . . . . 133 TYR HA . 27796 1 770 . 1 . 1 133 133 TYR C C 13 175.751 0.02 . 1 . . . . . 133 TYR C . 27796 1 771 . 1 . 1 133 133 TYR CA C 13 58.382 0.02 . 1 . . . . . 133 TYR CA . 27796 1 772 . 1 . 1 133 133 TYR CB C 13 38.69 0.02 . 1 . . . . . 133 TYR CB . 27796 1 773 . 1 . 1 133 133 TYR N N 15 120.404 0.02 . 1 . . . . . 133 TYR N . 27796 1 774 . 1 . 1 134 134 GLN H H 1 8.264 0.01 . 1 . . . . . 134 GLN HN . 27796 1 775 . 1 . 1 134 134 GLN HA H 1 4.231 0.01 . 1 . . . . . 134 GLN HA . 27796 1 776 . 1 . 1 134 134 GLN C C 13 174.849 0.02 . 1 . . . . . 134 GLN C . 27796 1 777 . 1 . 1 134 134 GLN CA C 13 55.459 0.02 . 1 . . . . . 134 GLN CA . 27796 1 778 . 1 . 1 134 134 GLN CB C 13 29.767 0.02 . 1 . . . . . 134 GLN CB . 27796 1 779 . 1 . 1 134 134 GLN N N 15 122.841 0.02 . 1 . . . . . 134 GLN N . 27796 1 780 . 1 . 1 135 135 ASP H H 1 8.269 0.01 . 1 . . . . . 135 ASP HN . 27796 1 781 . 1 . 1 135 135 ASP HA H 1 4.507 0.01 . 1 . . . . . 135 ASP HA . 27796 1 782 . 1 . 1 135 135 ASP C C 13 175.502 0.02 . 1 . . . . . 135 ASP C . 27796 1 783 . 1 . 1 135 135 ASP CA C 13 54.382 0.02 . 1 . . . . . 135 ASP CA . 27796 1 784 . 1 . 1 135 135 ASP CB C 13 41.074 0.02 . 1 . . . . . 135 ASP CB . 27796 1 785 . 1 . 1 135 135 ASP N N 15 121.747 0.02 . 1 . . . . . 135 ASP N . 27796 1 786 . 1 . 1 136 136 TYR H H 1 8.077 0.01 . 1 . . . . . 136 TYR HN . 27796 1 787 . 1 . 1 136 136 TYR HA H 1 4.532 0.01 . 1 . . . . . 136 TYR HA . 27796 1 788 . 1 . 1 136 136 TYR C C 13 175.082 0.02 . 1 . . . . . 136 TYR C . 27796 1 789 . 1 . 1 136 136 TYR CA C 13 57.613 0.02 . 1 . . . . . 136 TYR CA . 27796 1 790 . 1 . 1 136 136 TYR CB C 13 38.997 0.02 . 1 . . . . . 136 TYR CB . 27796 1 791 . 1 . 1 136 136 TYR N N 15 120.602 0.02 . 1 . . . . . 136 TYR N . 27796 1 792 . 1 . 1 137 137 GLU H H 1 8.283 0.01 . 1 . . . . . 137 GLU HN . 27796 1 793 . 1 . 1 137 137 GLU HA H 1 4.526 0.01 . 1 . . . . . 137 GLU HA . 27796 1 794 . 1 . 1 137 137 GLU CA C 13 53.613 0.02 . 1 . . . . . 137 GLU CA . 27796 1 795 . 1 . 1 137 137 GLU CB C 13 30.151 0.02 . 1 . . . . . 137 GLU CB . 27796 1 796 . 1 . 1 137 137 GLU N N 15 125.511 0.02 . 1 . . . . . 137 GLU N . 27796 1 797 . 1 . 1 138 138 PRO C C 13 176.865 0.02 . 1 . . . . . 138 PRO C . 27796 1 798 . 1 . 1 138 138 PRO CA C 13 62.921 0.02 . 1 . . . . . 138 PRO CA . 27796 1 799 . 1 . 1 138 138 PRO CB C 13 32.228 0.02 . 1 . . . . . 138 PRO CB . 27796 1 800 . 1 . 1 139 139 GLU H H 1 8.562 0.01 . 1 . . . . . 139 GLU HN . 27796 1 801 . 1 . 1 139 139 GLU HA H 1 4.181 0.01 . 1 . . . . . 139 GLU HA . 27796 1 802 . 1 . 1 139 139 GLU C C 13 175.389 0.02 . 1 . . . . . 139 GLU C . 27796 1 803 . 1 . 1 139 139 GLU CA C 13 56.69 0.02 . 1 . . . . . 139 GLU CA . 27796 1 804 . 1 . 1 139 139 GLU CB C 13 30.151 0.02 . 1 . . . . . 139 GLU CB . 27796 1 805 . 1 . 1 139 139 GLU N N 15 121.632 0.02 . 1 . . . . . 139 GLU N . 27796 1 806 . 1 . 1 140 140 ALA H H 1 8.037 0.01 . 1 . . . . . 140 ALA HN . 27796 1 807 . 1 . 1 140 140 ALA HA H 1 4.094 0.01 . 1 . . . . . 140 ALA HA . 27796 1 808 . 1 . 1 140 140 ALA CA C 13 53.844 0.02 . 1 . . . . . 140 ALA CA . 27796 1 809 . 1 . 1 140 140 ALA CB C 13 20.074 0.02 . 1 . . . . . 140 ALA CB . 27796 1 810 . 1 . 1 140 140 ALA N N 15 130.985 0.02 . 1 . . . . . 140 ALA N . 27796 1 stop_ save_