data_52482 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52482 _Entry.Title ; Axin1 308-426 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-05-23 _Entry.Accession_date 2024-05-23 _Entry.Last_release_date 2024-05-23 _Entry.Original_release_date 2024-05-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Human Axin1-A3 fragment 308-426 backbone resonance assignments at 278K' _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 Trevor Rutherford . J. . 0000-0001-7294-1668 52482 2 Tie-Mei Li . . . . 52482 3 Elsa Franco-Echevarria . . . 0000-0001-7306-6594 52482 4 Melissa Gammons . V. . 0000-0001-9661-9331 52482 5 Mariann Bienz . . . 0000-0002-7170-8706 52482 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Bienz group; MRC Laboratory of Molecular Biology' . 52482 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52482 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 336 52482 '15N chemical shifts' 112 52482 '1H chemical shifts' 218 52482 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 . . 2025-09-16 . original BMRB . 52482 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52483 'Lip-tagged LRP6 1463-1538 (Y1517, Y1520, Y1522, F1525) > A quadruple mutant' 52482 BMRB 52493 'Lip-tagged LRP6 1539-1613' 52482 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52482 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40399324 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Wnt signalosome assembly is governed by conformational flexibility of Axin and by the AP2 clathrin adaptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 4718 _Citation.Page_last 4718 _Citation.Year 2025 _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 Melissa Gammons . V. . . 52482 1 2 Elsa Franco-Echevarria . . . . 52482 1 3 Tie-Mei Li . . . . 52482 1 4 Trevor Rutherford . J. . . 52482 1 5 Miha Renko . . . . 52482 1 6 Christopher Batters . . . . 52482 1 7 Mariann Bienz . . . . 52482 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'GSK3 inhibition, LRP6 co-receptor, Axin scaffold protein AP2-mu cargo adaptor, clathrin-coated structures Wnt signalosome' 52482 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52482 _Assembly.ID 1 _Assembly.Name Axin1-A3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13636 _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 Axin1-A3 1 $entity_1 . . yes native no no . . . 52482 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52482 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AGYALAPATSANDSEQQSLS SDADTLSLTDSSVDGIPPYR IRKQHRREMQESVQVNGRVP LPHIPRTYRVPKEVRVEPQK FAEELIHRLEAVQRTREAEE KLEERLKRVRMEEEGEDGD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 308-426 _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment A3 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13636 _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 . ALA . 52482 1 2 . GLY . 52482 1 3 . TYR . 52482 1 4 . ALA . 52482 1 5 . LEU . 52482 1 6 . ALA . 52482 1 7 . PRO . 52482 1 8 . ALA . 52482 1 9 . THR . 52482 1 10 . SER . 52482 1 11 . ALA . 52482 1 12 . ASN . 52482 1 13 . ASP . 52482 1 14 . SER . 52482 1 15 . GLU . 52482 1 16 . GLN . 52482 1 17 . GLN . 52482 1 18 . SER . 52482 1 19 . LEU . 52482 1 20 . SER . 52482 1 21 . SER . 52482 1 22 . ASP . 52482 1 23 . ALA . 52482 1 24 . ASP . 52482 1 25 . THR . 52482 1 26 . LEU . 52482 1 27 . SER . 52482 1 28 . LEU . 52482 1 29 . THR . 52482 1 30 . ASP . 52482 1 31 . SER . 52482 1 32 . SER . 52482 1 33 . VAL . 52482 1 34 . ASP . 52482 1 35 . GLY . 52482 1 36 . ILE . 52482 1 37 . PRO . 52482 1 38 . PRO . 52482 1 39 . TYR . 52482 1 40 . ARG . 52482 1 41 . ILE . 52482 1 42 . ARG . 52482 1 43 . LYS . 52482 1 44 . GLN . 52482 1 45 . HIS . 52482 1 46 . ARG . 52482 1 47 . ARG . 52482 1 48 . GLU . 52482 1 49 . MET . 52482 1 50 . GLN . 52482 1 51 . GLU . 52482 1 52 . SER . 52482 1 53 . VAL . 52482 1 54 . GLN . 52482 1 55 . VAL . 52482 1 56 . ASN . 52482 1 57 . GLY . 52482 1 58 . ARG . 52482 1 59 . VAL . 52482 1 60 . PRO . 52482 1 61 . LEU . 52482 1 62 . PRO . 52482 1 63 . HIS . 52482 1 64 . ILE . 52482 1 65 . PRO . 52482 1 66 . ARG . 52482 1 67 . THR . 52482 1 68 . TYR . 52482 1 69 . ARG . 52482 1 70 . VAL . 52482 1 71 . PRO . 52482 1 72 . LYS . 52482 1 73 . GLU . 52482 1 74 . VAL . 52482 1 75 . ARG . 52482 1 76 . VAL . 52482 1 77 . GLU . 52482 1 78 . PRO . 52482 1 79 . GLN . 52482 1 80 . LYS . 52482 1 81 . PHE . 52482 1 82 . ALA . 52482 1 83 . GLU . 52482 1 84 . GLU . 52482 1 85 . LEU . 52482 1 86 . ILE . 52482 1 87 . HIS . 52482 1 88 . ARG . 52482 1 89 . LEU . 52482 1 90 . GLU . 52482 1 91 . ALA . 52482 1 92 . VAL . 52482 1 93 . GLN . 52482 1 94 . ARG . 52482 1 95 . THR . 52482 1 96 . ARG . 52482 1 97 . GLU . 52482 1 98 . ALA . 52482 1 99 . GLU . 52482 1 100 . GLU . 52482 1 101 . LYS . 52482 1 102 . LEU . 52482 1 103 . GLU . 52482 1 104 . GLU . 52482 1 105 . ARG . 52482 1 106 . LEU . 52482 1 107 . LYS . 52482 1 108 . ARG . 52482 1 109 . VAL . 52482 1 110 . ARG . 52482 1 111 . MET . 52482 1 112 . GLU . 52482 1 113 . GLU . 52482 1 114 . GLU . 52482 1 115 . GLY . 52482 1 116 . GLU . 52482 1 117 . ASP . 52482 1 118 . GLY . 52482 1 119 . ASP . 52482 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 . ALA 1 1 52482 1 . GLY 2 2 52482 1 . TYR 3 3 52482 1 . ALA 4 4 52482 1 . LEU 5 5 52482 1 . ALA 6 6 52482 1 . PRO 7 7 52482 1 . ALA 8 8 52482 1 . THR 9 9 52482 1 . SER 10 10 52482 1 . ALA 11 11 52482 1 . ASN 12 12 52482 1 . ASP 13 13 52482 1 . SER 14 14 52482 1 . GLU 15 15 52482 1 . GLN 16 16 52482 1 . GLN 17 17 52482 1 . SER 18 18 52482 1 . LEU 19 19 52482 1 . SER 20 20 52482 1 . SER 21 21 52482 1 . ASP 22 22 52482 1 . ALA 23 23 52482 1 . ASP 24 24 52482 1 . THR 25 25 52482 1 . LEU 26 26 52482 1 . SER 27 27 52482 1 . LEU 28 28 52482 1 . THR 29 29 52482 1 . ASP 30 30 52482 1 . SER 31 31 52482 1 . SER 32 32 52482 1 . VAL 33 33 52482 1 . ASP 34 34 52482 1 . GLY 35 35 52482 1 . ILE 36 36 52482 1 . PRO 37 37 52482 1 . PRO 38 38 52482 1 . TYR 39 39 52482 1 . ARG 40 40 52482 1 . ILE 41 41 52482 1 . ARG 42 42 52482 1 . LYS 43 43 52482 1 . GLN 44 44 52482 1 . HIS 45 45 52482 1 . ARG 46 46 52482 1 . ARG 47 47 52482 1 . GLU 48 48 52482 1 . MET 49 49 52482 1 . GLN 50 50 52482 1 . GLU 51 51 52482 1 . SER 52 52 52482 1 . VAL 53 53 52482 1 . GLN 54 54 52482 1 . VAL 55 55 52482 1 . ASN 56 56 52482 1 . GLY 57 57 52482 1 . ARG 58 58 52482 1 . VAL 59 59 52482 1 . PRO 60 60 52482 1 . LEU 61 61 52482 1 . PRO 62 62 52482 1 . HIS 63 63 52482 1 . ILE 64 64 52482 1 . PRO 65 65 52482 1 . ARG 66 66 52482 1 . THR 67 67 52482 1 . TYR 68 68 52482 1 . ARG 69 69 52482 1 . VAL 70 70 52482 1 . PRO 71 71 52482 1 . LYS 72 72 52482 1 . GLU 73 73 52482 1 . VAL 74 74 52482 1 . ARG 75 75 52482 1 . VAL 76 76 52482 1 . GLU 77 77 52482 1 . PRO 78 78 52482 1 . GLN 79 79 52482 1 . LYS 80 80 52482 1 . PHE 81 81 52482 1 . ALA 82 82 52482 1 . GLU 83 83 52482 1 . GLU 84 84 52482 1 . LEU 85 85 52482 1 . ILE 86 86 52482 1 . HIS 87 87 52482 1 . ARG 88 88 52482 1 . LEU 89 89 52482 1 . GLU 90 90 52482 1 . ALA 91 91 52482 1 . VAL 92 92 52482 1 . GLN 93 93 52482 1 . ARG 94 94 52482 1 . THR 95 95 52482 1 . ARG 96 96 52482 1 . GLU 97 97 52482 1 . ALA 98 98 52482 1 . GLU 99 99 52482 1 . GLU 100 100 52482 1 . LYS 101 101 52482 1 . LEU 102 102 52482 1 . GLU 103 103 52482 1 . GLU 104 104 52482 1 . ARG 105 105 52482 1 . LEU 106 106 52482 1 . LYS 107 107 52482 1 . ARG 108 108 52482 1 . VAL 109 109 52482 1 . ARG 110 110 52482 1 . MET 111 111 52482 1 . GLU 112 112 52482 1 . GLU 113 113 52482 1 . GLU 114 114 52482 1 . GLY 115 115 52482 1 . GLU 116 116 52482 1 . ASP 117 117 52482 1 . GLY 118 118 52482 1 . ASP 119 119 52482 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52482 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52482 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52482 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-CodonPlus(DE3)-RIL . . plasmid . . pETM41 . . . 52482 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52482 _Sample.ID 1 _Sample.Name '13C 15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details '500uM protein, 25mM phosphate pH 6.7, 150mM sodium chloride' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 Axin1-A3 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 52482 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 52482 1 3 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 52482 1 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 52482 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52482 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 52482 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'low temperature' _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' 210 . mM 52482 1 pH 6.7 . pH 52482 1 pressure 1 . atm 52482 1 temperature 278 . K 52482 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52482 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52482 1 processing . 52482 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52482 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 52482 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52482 _Software.ID 3 _Software.Type . _Software.Name MARS _Software.Version 1.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52482 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52482 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700' _NMR_spectrometer.Details 'TCI cryoprobe, 5mm, inverse' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II+' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52482 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52482 1 2 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52482 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52482 1 4 '3D CBCACONH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52482 1 5 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52482 1 6 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52482 1 7 '3D HBHA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52482 1 8 HACAN no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52482 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52482 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'backbone resonance assignments' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52482 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52482 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52482 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52482 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'backbone resonance assignments' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.25 _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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' . . . 52482 1 2 '3D HNCA' . . . 52482 1 3 '3D HNCACB' . . . 52482 1 6 '3D HN(CA)CO' . . . 52482 1 7 '3D HBHA(CO)NH' . . . 52482 1 8 HACAN . . . 52482 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52482 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA HA H 1 4.08 0.01 . 1 . . . . . 1 ALA HA . 52482 1 2 . 1 . 1 1 1 ALA C C 13 174.32 0.04 . 1 . . . . . 1 ALA C . 52482 1 3 . 1 . 1 1 1 ALA CA C 13 51.78 0.07 . 1 . . . . . 1 ALA CA . 52482 1 4 . 1 . 1 1 1 ALA CB C 13 19.38 0.25 . 1 . . . . . 1 ALA CB . 52482 1 5 . 1 . 1 2 2 GLY H H 1 8.66 0.01 . 1 . . . . . 2 GLY H . 52482 1 6 . 1 . 1 2 2 GLY HA2 H 1 3.92 0.01 . 1 . . . . . 2 GLY HA2 . 52482 1 7 . 1 . 1 2 2 GLY HA3 H 1 3.92 0.01 . 1 . . . . . 2 GLY HA3 . 52482 1 8 . 1 . 1 2 2 GLY C C 13 173.40 0.04 . 1 . . . . . 2 GLY C . 52482 1 9 . 1 . 1 2 2 GLY CA C 13 44.86 0.07 . 1 . . . . . 2 GLY CA . 52482 1 10 . 1 . 1 2 2 GLY N N 15 108.53 0.03 . 1 . . . . . 2 GLY N . 52482 1 11 . 1 . 1 3 3 TYR H H 1 8.26 0.01 . 1 . . . . . 3 TYR H . 52482 1 12 . 1 . 1 3 3 TYR HA H 1 4.56 0.01 . 1 . . . . . 3 TYR HA . 52482 1 13 . 1 . 1 3 3 TYR C C 13 175.43 0.04 . 1 . . . . . 3 TYR C . 52482 1 14 . 1 . 1 3 3 TYR CA C 13 57.71 0.07 . 1 . . . . . 3 TYR CA . 52482 1 15 . 1 . 1 3 3 TYR CB C 13 39.10 0.25 . 1 . . . . . 3 TYR CB . 52482 1 16 . 1 . 1 3 3 TYR N N 15 120.46 0.03 . 1 . . . . . 3 TYR N . 52482 1 17 . 1 . 1 4 4 ALA H H 1 8.34 0.01 . 1 . . . . . 4 ALA H . 52482 1 18 . 1 . 1 4 4 ALA HA H 1 4.27 0.01 . 1 . . . . . 4 ALA HA . 52482 1 19 . 1 . 1 4 4 ALA C C 13 177.00 0.04 . 1 . . . . . 4 ALA C . 52482 1 20 . 1 . 1 4 4 ALA CA C 13 52.18 0.07 . 1 . . . . . 4 ALA CA . 52482 1 21 . 1 . 1 4 4 ALA CB C 13 19.46 0.25 . 1 . . . . . 4 ALA CB . 52482 1 22 . 1 . 1 4 4 ALA N N 15 126.39 0.03 . 1 . . . . . 4 ALA N . 52482 1 23 . 1 . 1 5 5 LEU H H 1 8.19 0.01 . 1 . . . . . 5 LEU H . 52482 1 24 . 1 . 1 5 5 LEU HA H 1 4.30 0.01 . 1 . . . . . 5 LEU HA . 52482 1 25 . 1 . 1 5 5 LEU C C 13 176.75 0.04 . 1 . . . . . 5 LEU C . 52482 1 26 . 1 . 1 5 5 LEU CA C 13 54.66 0.07 . 1 . . . . . 5 LEU CA . 52482 1 27 . 1 . 1 5 5 LEU CB C 13 42.49 0.25 . 1 . . . . . 5 LEU CB . 52482 1 28 . 1 . 1 5 5 LEU N N 15 122.02 0.03 . 1 . . . . . 5 LEU N . 52482 1 29 . 1 . 1 6 6 ALA H H 1 8.36 0.01 . 1 . . . . . 6 ALA H . 52482 1 30 . 1 . 1 6 6 ALA HA H 1 4.56 0.01 . 1 . . . . . 6 ALA HA . 52482 1 31 . 1 . 1 6 6 ALA C C 13 175.26 0.04 . 1 . . . . . 6 ALA C . 52482 1 32 . 1 . 1 6 6 ALA CA C 13 50.40 0.07 . 1 . . . . . 6 ALA CA . 52482 1 33 . 1 . 1 6 6 ALA CB C 13 18.26 0.25 . 1 . . . . . 6 ALA CB . 52482 1 34 . 1 . 1 6 6 ALA N N 15 126.81 0.03 . 1 . . . . . 6 ALA N . 52482 1 35 . 1 . 1 7 7 PRO HA H 1 4.40 0.01 . 1 . . . . . 7 PRO HA . 52482 1 36 . 1 . 1 7 7 PRO C C 13 176.69 0.04 . 1 . . . . . 7 PRO C . 52482 1 37 . 1 . 1 7 7 PRO CA C 13 62.79 0.07 . 1 . . . . . 7 PRO CA . 52482 1 38 . 1 . 1 7 7 PRO CB C 13 32.23 0.25 . 1 . . . . . 7 PRO CB . 52482 1 39 . 1 . 1 7 7 PRO N N 15 135.75 0.10 . 1 . . . . . 7 PRO N . 52482 1 40 . 1 . 1 8 8 ALA H H 1 8.59 0.01 . 1 . . . . . 8 ALA H . 52482 1 41 . 1 . 1 8 8 ALA HA H 1 4.35 0.01 . 1 . . . . . 8 ALA HA . 52482 1 42 . 1 . 1 8 8 ALA C C 13 178.08 0.04 . 1 . . . . . 8 ALA C . 52482 1 43 . 1 . 1 8 8 ALA CA C 13 52.53 0.07 . 1 . . . . . 8 ALA CA . 52482 1 44 . 1 . 1 8 8 ALA CB C 13 19.27 0.25 . 1 . . . . . 8 ALA CB . 52482 1 45 . 1 . 1 8 8 ALA N N 15 124.89 0.03 . 1 . . . . . 8 ALA N . 52482 1 46 . 1 . 1 9 9 THR H H 1 8.27 0.01 . 1 . . . . . 9 THR H . 52482 1 47 . 1 . 1 9 9 THR HA H 1 4.38 0.01 . 1 . . . . . 9 THR HA . 52482 1 48 . 1 . 1 9 9 THR C C 13 174.53 0.04 . 1 . . . . . 9 THR C . 52482 1 49 . 1 . 1 9 9 THR CA C 13 61.57 0.07 . 1 . . . . . 9 THR CA . 52482 1 50 . 1 . 1 9 9 THR CB C 13 70.16 0.25 . 1 . . . . . 9 THR CB . 52482 1 51 . 1 . 1 9 9 THR N N 15 113.55 0.03 . 1 . . . . . 9 THR N . 52482 1 52 . 1 . 1 10 10 SER H H 1 8.47 0.01 . 1 . . . . . 10 SER H . 52482 1 53 . 1 . 1 10 10 SER HA H 1 4.48 0.01 . 1 . . . . . 10 SER HA . 52482 1 54 . 1 . 1 10 10 SER C C 13 174.32 0.04 . 1 . . . . . 10 SER C . 52482 1 55 . 1 . 1 10 10 SER CA C 13 58.02 0.07 . 1 . . . . . 10 SER CA . 52482 1 56 . 1 . 1 10 10 SER CB C 13 64.10 0.25 . 1 . . . . . 10 SER CB . 52482 1 57 . 1 . 1 10 10 SER N N 15 118.23 0.03 . 1 . . . . . 10 SER N . 52482 1 58 . 1 . 1 11 11 ALA H H 1 8.53 0.01 . 1 . . . . . 11 ALA H . 52482 1 59 . 1 . 1 11 11 ALA HA H 1 4.31 0.01 . 1 . . . . . 11 ALA HA . 52482 1 60 . 1 . 1 11 11 ALA C C 13 177.61 0.04 . 1 . . . . . 11 ALA C . 52482 1 61 . 1 . 1 11 11 ALA CA C 13 52.79 0.07 . 1 . . . . . 11 ALA CA . 52482 1 62 . 1 . 1 11 11 ALA CB C 13 19.27 0.25 . 1 . . . . . 11 ALA CB . 52482 1 63 . 1 . 1 11 11 ALA N N 15 126.23 0.03 . 1 . . . . . 11 ALA N . 52482 1 64 . 1 . 1 12 12 ASN H H 1 8.46 0.01 . 1 . . . . . 12 ASN H . 52482 1 65 . 1 . 1 12 12 ASN HA H 1 4.70 0.01 . 1 . . . . . 12 ASN HA . 52482 1 66 . 1 . 1 12 12 ASN C C 13 175.20 0.04 . 1 . . . . . 12 ASN C . 52482 1 67 . 1 . 1 12 12 ASN CA C 13 53.33 0.07 . 1 . . . . . 12 ASN CA . 52482 1 68 . 1 . 1 12 12 ASN CB C 13 39.02 0.25 . 1 . . . . . 12 ASN CB . 52482 1 69 . 1 . 1 12 12 ASN N N 15 117.70 0.03 . 1 . . . . . 12 ASN N . 52482 1 70 . 1 . 1 13 13 ASP H H 1 8.34 0.01 . 1 . . . . . 13 ASP H . 52482 1 71 . 1 . 1 13 13 ASP HA H 1 4.61 0.01 . 1 . . . . . 13 ASP HA . 52482 1 72 . 1 . 1 13 13 ASP C C 13 176.65 0.04 . 1 . . . . . 13 ASP C . 52482 1 73 . 1 . 1 13 13 ASP CA C 13 54.62 0.07 . 1 . . . . . 13 ASP CA . 52482 1 74 . 1 . 1 13 13 ASP CB C 13 41.13 0.25 . 1 . . . . . 13 ASP CB . 52482 1 75 . 1 . 1 13 13 ASP N N 15 121.16 0.03 . 1 . . . . . 13 ASP N . 52482 1 76 . 1 . 1 14 14 SER H H 1 8.35 0.01 . 1 . . . . . 14 SER H . 52482 1 77 . 1 . 1 14 14 SER HA H 1 4.38 0.01 . 1 . . . . . 14 SER HA . 52482 1 78 . 1 . 1 14 14 SER C C 13 175.01 0.04 . 1 . . . . . 14 SER C . 52482 1 79 . 1 . 1 14 14 SER CA C 13 59.08 0.07 . 1 . . . . . 14 SER CA . 52482 1 80 . 1 . 1 14 14 SER CB C 13 63.80 0.25 . 1 . . . . . 14 SER CB . 52482 1 81 . 1 . 1 14 14 SER N N 15 116.10 0.03 . 1 . . . . . 14 SER N . 52482 1 82 . 1 . 1 15 15 GLU H H 1 8.45 0.01 . 1 . . . . . 15 GLU H . 52482 1 83 . 1 . 1 15 15 GLU HA H 1 4.27 0.01 . 1 . . . . . 15 GLU HA . 52482 1 84 . 1 . 1 15 15 GLU C C 13 176.79 0.04 . 1 . . . . . 15 GLU C . 52482 1 85 . 1 . 1 15 15 GLU CA C 13 56.85 0.07 . 1 . . . . . 15 GLU CA . 52482 1 86 . 1 . 1 15 15 GLU CB C 13 30.12 0.25 . 1 . . . . . 15 GLU CB . 52482 1 87 . 1 . 1 15 15 GLU N N 15 122.50 0.03 . 1 . . . . . 15 GLU N . 52482 1 88 . 1 . 1 16 16 GLN H H 1 8.37 0.01 . 1 . . . . . 16 GLN H . 52482 1 89 . 1 . 1 16 16 GLN HA H 1 4.28 0.01 . 1 . . . . . 16 GLN HA . 52482 1 90 . 1 . 1 16 16 GLN C C 13 176.27 0.04 . 1 . . . . . 16 GLN C . 52482 1 91 . 1 . 1 16 16 GLN CA C 13 56.04 0.07 . 1 . . . . . 16 GLN CA . 52482 1 92 . 1 . 1 16 16 GLN CB C 13 29.35 0.25 . 1 . . . . . 16 GLN CB . 52482 1 93 . 1 . 1 16 16 GLN N N 15 120.91 0.03 . 1 . . . . . 16 GLN N . 52482 1 94 . 1 . 1 17 17 GLN H H 1 8.50 0.01 . 1 . . . . . 17 GLN H . 52482 1 95 . 1 . 1 17 17 GLN HA H 1 4.32 0.01 . 1 . . . . . 17 GLN HA . 52482 1 96 . 1 . 1 17 17 GLN C C 13 176.20 0.04 . 1 . . . . . 17 GLN C . 52482 1 97 . 1 . 1 17 17 GLN CA C 13 55.99 0.07 . 1 . . . . . 17 GLN CA . 52482 1 98 . 1 . 1 17 17 GLN CB C 13 29.51 0.25 . 1 . . . . . 17 GLN CB . 52482 1 99 . 1 . 1 17 17 GLN N N 15 121.69 0.03 . 1 . . . . . 17 GLN N . 52482 1 100 . 1 . 1 18 18 SER H H 1 8.48 0.01 . 1 . . . . . 18 SER H . 52482 1 101 . 1 . 1 18 18 SER HA H 1 4.44 0.01 . 1 . . . . . 18 SER HA . 52482 1 102 . 1 . 1 18 18 SER C C 13 174.54 0.04 . 1 . . . . . 18 SER C . 52482 1 103 . 1 . 1 18 18 SER CA C 13 58.37 0.07 . 1 . . . . . 18 SER CA . 52482 1 104 . 1 . 1 18 18 SER CB C 13 63.80 0.25 . 1 . . . . . 18 SER CB . 52482 1 105 . 1 . 1 18 18 SER N N 15 117.38 0.03 . 1 . . . . . 18 SER N . 52482 1 106 . 1 . 1 19 19 LEU H H 1 8.42 0.01 . 1 . . . . . 19 LEU H . 52482 1 107 . 1 . 1 19 19 LEU HA H 1 4.30 0.01 . 1 . . . . . 19 LEU HA . 52482 1 108 . 1 . 1 19 19 LEU C C 13 177.63 0.04 . 1 . . . . . 19 LEU C . 52482 1 109 . 1 . 1 19 19 LEU CA C 13 55.33 0.07 . 1 . . . . . 19 LEU CA . 52482 1 110 . 1 . 1 19 19 LEU CB C 13 42.49 0.25 . 1 . . . . . 19 LEU CB . 52482 1 111 . 1 . 1 19 19 LEU N N 15 124.37 0.03 . 1 . . . . . 19 LEU N . 52482 1 112 . 1 . 1 20 20 SER H H 1 8.42 0.01 . 1 . . . . . 20 SER H . 52482 1 113 . 1 . 1 20 20 SER HA H 1 4.48 0.01 . 1 . . . . . 20 SER HA . 52482 1 114 . 1 . 1 20 20 SER C C 13 174.71 0.04 . 1 . . . . . 20 SER C . 52482 1 115 . 1 . 1 20 20 SER CA C 13 58.27 0.07 . 1 . . . . . 20 SER CA . 52482 1 116 . 1 . 1 20 20 SER CB C 13 64.02 0.25 . 1 . . . . . 20 SER CB . 52482 1 117 . 1 . 1 20 20 SER N N 15 116.88 0.03 . 1 . . . . . 20 SER N . 52482 1 118 . 1 . 1 21 21 SER H H 1 8.51 0.01 . 1 . . . . . 21 SER H . 52482 1 119 . 1 . 1 21 21 SER HA H 1 4.49 0.01 . 1 . . . . . 21 SER HA . 52482 1 120 . 1 . 1 21 21 SER C C 13 174.48 0.04 . 1 . . . . . 21 SER C . 52482 1 121 . 1 . 1 21 21 SER CA C 13 58.37 0.07 . 1 . . . . . 21 SER CA . 52482 1 122 . 1 . 1 21 21 SER CB C 13 64.02 0.25 . 1 . . . . . 21 SER CB . 52482 1 123 . 1 . 1 21 21 SER N N 15 118.20 0.03 . 1 . . . . . 21 SER N . 52482 1 124 . 1 . 1 22 22 ASP H H 1 8.44 0.01 . 1 . . . . . 22 ASP H . 52482 1 125 . 1 . 1 22 22 ASP HA H 1 4.60 0.01 . 1 . . . . . 22 ASP HA . 52482 1 126 . 1 . 1 22 22 ASP C C 13 176.26 0.04 . 1 . . . . . 22 ASP C . 52482 1 127 . 1 . 1 22 22 ASP CA C 13 54.56 0.07 . 1 . . . . . 22 ASP CA . 52482 1 128 . 1 . 1 22 22 ASP CB C 13 41.10 0.25 . 1 . . . . . 22 ASP CB . 52482 1 129 . 1 . 1 22 22 ASP N N 15 122.70 0.03 . 1 . . . . . 22 ASP N . 52482 1 130 . 1 . 1 23 23 ALA H H 1 8.24 0.01 . 1 . . . . . 23 ALA H . 52482 1 131 . 1 . 1 23 23 ALA HA H 1 4.24 0.01 . 1 . . . . . 23 ALA HA . 52482 1 132 . 1 . 1 23 23 ALA C C 13 177.96 0.04 . 1 . . . . . 23 ALA C . 52482 1 133 . 1 . 1 23 23 ALA CA C 13 53.04 0.07 . 1 . . . . . 23 ALA CA . 52482 1 134 . 1 . 1 23 23 ALA CB C 13 19.24 0.25 . 1 . . . . . 23 ALA CB . 52482 1 135 . 1 . 1 23 23 ALA N N 15 123.79 0.03 . 1 . . . . . 23 ALA N . 52482 1 136 . 1 . 1 24 24 ASP H H 1 8.36 0.01 . 1 . . . . . 24 ASP H . 52482 1 137 . 1 . 1 24 24 ASP HA H 1 4.62 0.01 . 1 . . . . . 24 ASP HA . 52482 1 138 . 1 . 1 24 24 ASP C C 13 176.83 0.04 . 1 . . . . . 24 ASP C . 52482 1 139 . 1 . 1 24 24 ASP CA C 13 54.62 0.07 . 1 . . . . . 24 ASP CA . 52482 1 140 . 1 . 1 24 24 ASP CB C 13 41.10 0.25 . 1 . . . . . 24 ASP CB . 52482 1 141 . 1 . 1 24 24 ASP N N 15 119.17 0.03 . 1 . . . . . 24 ASP N . 52482 1 142 . 1 . 1 25 25 THR H H 1 8.10 0.01 . 1 . . . . . 25 THR H . 52482 1 143 . 1 . 1 25 25 THR HA H 1 4.25 0.01 . 1 . . . . . 25 THR HA . 52482 1 144 . 1 . 1 25 25 THR C C 13 174.97 0.04 . 1 . . . . . 25 THR C . 52482 1 145 . 1 . 1 25 25 THR CA C 13 62.54 0.07 . 1 . . . . . 25 THR CA . 52482 1 146 . 1 . 1 25 25 THR CB C 13 69.69 0.25 . 1 . . . . . 25 THR CB . 52482 1 147 . 1 . 1 25 25 THR N N 15 114.73 0.03 . 1 . . . . . 25 THR N . 52482 1 148 . 1 . 1 26 26 LEU H H 1 8.27 0.01 . 1 . . . . . 26 LEU H . 52482 1 149 . 1 . 1 26 26 LEU HA H 1 4.36 0.01 . 1 . . . . . 26 LEU HA . 52482 1 150 . 1 . 1 26 26 LEU C C 13 177.55 0.04 . 1 . . . . . 26 LEU C . 52482 1 151 . 1 . 1 26 26 LEU CA C 13 55.63 0.07 . 1 . . . . . 26 LEU CA . 52482 1 152 . 1 . 1 26 26 LEU CB C 13 42.30 0.25 . 1 . . . . . 26 LEU CB . 52482 1 153 . 1 . 1 26 26 LEU N N 15 124.40 0.03 . 1 . . . . . 26 LEU N . 52482 1 154 . 1 . 1 27 27 SER H H 1 8.36 0.01 . 1 . . . . . 27 SER H . 52482 1 155 . 1 . 1 27 27 SER HA H 1 4.44 0.01 . 1 . . . . . 27 SER HA . 52482 1 156 . 1 . 1 27 27 SER C C 13 174.70 0.04 . 1 . . . . . 27 SER C . 52482 1 157 . 1 . 1 27 27 SER CA C 13 58.30 0.07 . 1 . . . . . 27 SER CA . 52482 1 158 . 1 . 1 27 27 SER CB C 13 63.69 0.25 . 1 . . . . . 27 SER CB . 52482 1 159 . 1 . 1 27 27 SER N N 15 116.66 0.03 . 1 . . . . . 27 SER N . 52482 1 160 . 1 . 1 28 28 LEU H H 1 8.37 0.01 . 1 . . . . . 28 LEU H . 52482 1 161 . 1 . 1 28 28 LEU HA H 1 4.32 0.01 . 1 . . . . . 28 LEU HA . 52482 1 162 . 1 . 1 28 28 LEU C C 13 177.79 0.04 . 1 . . . . . 28 LEU C . 52482 1 163 . 1 . 1 28 28 LEU CA C 13 55.36 0.07 . 1 . . . . . 28 LEU CA . 52482 1 164 . 1 . 1 28 28 LEU CB C 13 42.28 0.25 . 1 . . . . . 28 LEU CB . 52482 1 165 . 1 . 1 28 28 LEU N N 15 124.27 0.03 . 1 . . . . . 28 LEU N . 52482 1 166 . 1 . 1 29 29 THR H H 1 8.17 0.01 . 1 . . . . . 29 THR H . 52482 1 167 . 1 . 1 29 29 THR HA H 1 4.34 0.01 . 1 . . . . . 29 THR HA . 52482 1 168 . 1 . 1 29 29 THR C C 13 174.28 0.04 . 1 . . . . . 29 THR C . 52482 1 169 . 1 . 1 29 29 THR CA C 13 61.88 0.07 . 1 . . . . . 29 THR CA . 52482 1 170 . 1 . 1 29 29 THR CB C 13 69.96 0.25 . 1 . . . . . 29 THR CB . 52482 1 171 . 1 . 1 29 29 THR N N 15 114.06 0.03 . 1 . . . . . 29 THR N . 52482 1 172 . 1 . 1 30 30 ASP H H 1 8.38 0.01 . 1 . . . . . 30 ASP H . 52482 1 173 . 1 . 1 30 30 ASP HA H 1 4.67 0.01 . 1 . . . . . 30 ASP HA . 52482 1 174 . 1 . 1 30 30 ASP C C 13 176.32 0.04 . 1 . . . . . 30 ASP C . 52482 1 175 . 1 . 1 30 30 ASP CA C 13 54.23 0.07 . 1 . . . . . 30 ASP CA . 52482 1 176 . 1 . 1 30 30 ASP CB C 13 41.34 0.25 . 1 . . . . . 30 ASP CB . 52482 1 177 . 1 . 1 30 30 ASP N N 15 123.00 0.03 . 1 . . . . . 30 ASP N . 52482 1 178 . 1 . 1 31 31 SER H H 1 8.44 0.01 . 1 . . . . . 31 SER H . 52482 1 179 . 1 . 1 31 31 SER HA H 1 4.47 0.01 . 1 . . . . . 31 SER HA . 52482 1 180 . 1 . 1 31 31 SER C C 13 174.71 0.04 . 1 . . . . . 31 SER C . 52482 1 181 . 1 . 1 31 31 SER CA C 13 58.45 0.07 . 1 . . . . . 31 SER CA . 52482 1 182 . 1 . 1 31 31 SER CB C 13 63.91 0.25 . 1 . . . . . 31 SER CB . 52482 1 183 . 1 . 1 31 31 SER N N 15 117.08 0.03 . 1 . . . . . 31 SER N . 52482 1 184 . 1 . 1 32 32 SER H H 1 8.50 0.01 . 1 . . . . . 32 SER H . 52482 1 185 . 1 . 1 32 32 SER HA H 1 4.46 0.01 . 1 . . . . . 32 SER HA . 52482 1 186 . 1 . 1 32 32 SER C C 13 174.89 0.04 . 1 . . . . . 32 SER C . 52482 1 187 . 1 . 1 32 32 SER CA C 13 58.78 0.07 . 1 . . . . . 32 SER CA . 52482 1 188 . 1 . 1 32 32 SER CB C 13 64.05 0.25 . 1 . . . . . 32 SER CB . 52482 1 189 . 1 . 1 32 32 SER N N 15 118.38 0.03 . 1 . . . . . 32 SER N . 52482 1 190 . 1 . 1 33 33 VAL H H 1 8.18 0.01 . 1 . . . . . 33 VAL H . 52482 1 191 . 1 . 1 33 33 VAL HA H 1 4.15 0.01 . 1 . . . . . 33 VAL HA . 52482 1 192 . 1 . 1 33 33 VAL C C 13 176.03 0.04 . 1 . . . . . 33 VAL C . 52482 1 193 . 1 . 1 33 33 VAL CA C 13 62.46 0.07 . 1 . . . . . 33 VAL CA . 52482 1 194 . 1 . 1 33 33 VAL CB C 13 32.72 0.25 . 1 . . . . . 33 VAL CB . 52482 1 195 . 1 . 1 33 33 VAL N N 15 121.38 0.03 . 1 . . . . . 33 VAL N . 52482 1 196 . 1 . 1 34 34 ASP H H 1 8.39 0.01 . 1 . . . . . 34 ASP H . 52482 1 197 . 1 . 1 34 34 ASP HA H 1 4.58 0.01 . 1 . . . . . 34 ASP HA . 52482 1 198 . 1 . 1 34 34 ASP C C 13 176.52 0.04 . 1 . . . . . 34 ASP C . 52482 1 199 . 1 . 1 34 34 ASP CA C 13 54.54 0.07 . 1 . . . . . 34 ASP CA . 52482 1 200 . 1 . 1 34 34 ASP CB C 13 41.32 0.25 . 1 . . . . . 34 ASP CB . 52482 1 201 . 1 . 1 34 34 ASP N N 15 123.00 0.03 . 1 . . . . . 34 ASP N . 52482 1 202 . 1 . 1 35 35 GLY H H 1 8.26 0.01 . 1 . . . . . 35 GLY H . 52482 1 203 . 1 . 1 35 35 GLY HA2 H 1 3.94 0.01 . 1 . . . . . 35 GLY HA2 . 52482 1 204 . 1 . 1 35 35 GLY HA3 H 1 3.88 0.01 . 1 . . . . . 35 GLY HA3 . 52482 1 205 . 1 . 1 35 35 GLY C C 13 173.75 0.04 . 1 . . . . . 35 GLY C . 52482 1 206 . 1 . 1 35 35 GLY CA C 13 45.16 0.07 . 1 . . . . . 35 GLY CA . 52482 1 207 . 1 . 1 35 35 GLY N N 15 108.90 0.03 . 1 . . . . . 35 GLY N . 52482 1 208 . 1 . 1 36 36 ILE H H 1 8.05 0.01 . 1 . . . . . 36 ILE H . 52482 1 209 . 1 . 1 36 36 ILE HA H 1 4.44 0.01 . 1 . . . . . 36 ILE HA . 52482 1 210 . 1 . 1 36 36 ILE C C 13 174.30 0.04 . 1 . . . . . 36 ILE C . 52482 1 211 . 1 . 1 36 36 ILE CA C 13 58.44 0.07 . 1 . . . . . 36 ILE CA . 52482 1 212 . 1 . 1 36 36 ILE N N 15 122.41 0.03 . 1 . . . . . 36 ILE N . 52482 1 213 . 1 . 1 37 37 PRO HA H 1 4.66 0.01 . 1 . . . . . 37 PRO HA . 52482 1 214 . 1 . 1 37 37 PRO CA C 13 61.53 0.07 . 1 . . . . . 37 PRO CA . 52482 1 215 . 1 . 1 37 37 PRO N N 15 142.30 0.10 . 1 . . . . . 37 PRO N . 52482 1 216 . 1 . 1 38 38 PRO HA H 1 4.38 0.01 . 1 . . . . . 38 PRO HA . 52482 1 217 . 1 . 1 38 38 PRO C C 13 176.74 0.04 . 1 . . . . . 38 PRO C . 52482 1 218 . 1 . 1 38 38 PRO CA C 13 63.21 0.07 . 1 . . . . . 38 PRO CA . 52482 1 219 . 1 . 1 38 38 PRO CB C 13 32.01 0.25 . 1 . . . . . 38 PRO CB . 52482 1 220 . 1 . 1 38 38 PRO N N 15 134.60 0.10 . 1 . . . . . 38 PRO N . 52482 1 221 . 1 . 1 39 39 TYR H H 1 8.09 0.01 . 1 . . . . . 39 TYR H . 52482 1 222 . 1 . 1 39 39 TYR HA H 1 4.48 0.01 . 1 . . . . . 39 TYR HA . 52482 1 223 . 1 . 1 39 39 TYR C C 13 175.63 0.04 . 1 . . . . . 39 TYR C . 52482 1 224 . 1 . 1 39 39 TYR CA C 13 58.03 0.07 . 1 . . . . . 39 TYR CA . 52482 1 225 . 1 . 1 39 39 TYR CB C 13 38.47 0.25 . 1 . . . . . 39 TYR CB . 52482 1 226 . 1 . 1 39 39 TYR N N 15 119.36 0.03 . 1 . . . . . 39 TYR N . 52482 1 227 . 1 . 1 40 40 ARG H H 1 8.10 0.01 . 1 . . . . . 40 ARG H . 52482 1 228 . 1 . 1 40 40 ARG HA H 1 4.25 0.01 . 1 . . . . . 40 ARG HA . 52482 1 229 . 1 . 1 40 40 ARG C C 13 175.65 0.04 . 1 . . . . . 40 ARG C . 52482 1 230 . 1 . 1 40 40 ARG CA C 13 55.86 0.07 . 1 . . . . . 40 ARG CA . 52482 1 231 . 1 . 1 40 40 ARG CB C 13 31.10 0.25 . 1 . . . . . 40 ARG CB . 52482 1 232 . 1 . 1 40 40 ARG N N 15 122.67 0.03 . 1 . . . . . 40 ARG N . 52482 1 233 . 1 . 1 41 41 ILE H H 1 8.06 0.01 . 1 . . . . . 41 ILE H . 52482 1 234 . 1 . 1 41 41 ILE HA H 1 4.04 0.01 . 1 . . . . . 41 ILE HA . 52482 1 235 . 1 . 1 41 41 ILE C C 13 176.27 0.04 . 1 . . . . . 41 ILE C . 52482 1 236 . 1 . 1 41 41 ILE CA C 13 61.29 0.07 . 1 . . . . . 41 ILE CA . 52482 1 237 . 1 . 1 41 41 ILE CB C 13 38.58 0.25 . 1 . . . . . 41 ILE CB . 52482 1 238 . 1 . 1 41 41 ILE N N 15 122.42 0.03 . 1 . . . . . 41 ILE N . 52482 1 239 . 1 . 1 42 42 ARG H H 1 8.45 0.01 . 1 . . . . . 42 ARG H . 52482 1 240 . 1 . 1 42 42 ARG HA H 1 4.31 0.01 . 1 . . . . . 42 ARG HA . 52482 1 241 . 1 . 1 42 42 ARG C C 13 176.33 0.04 . 1 . . . . . 42 ARG C . 52482 1 242 . 1 . 1 42 42 ARG CA C 13 56.14 0.07 . 1 . . . . . 42 ARG CA . 52482 1 243 . 1 . 1 42 42 ARG CB C 13 30.99 0.25 . 1 . . . . . 42 ARG CB . 52482 1 244 . 1 . 1 42 42 ARG N N 15 125.69 0.03 . 1 . . . . . 42 ARG N . 52482 1 245 . 1 . 1 43 43 LYS H H 1 8.51 0.01 . 1 . . . . . 43 LYS H . 52482 1 246 . 1 . 1 43 43 LYS C C 13 176.55 0.04 . 1 . . . . . 43 LYS C . 52482 1 247 . 1 . 1 43 43 LYS CA C 13 56.58 0.10 . 1 . . . . . 43 LYS CA . 52482 1 248 . 1 . 1 43 43 LYS CB C 13 33.10 0.25 . 1 . . . . . 43 LYS CB . 52482 1 249 . 1 . 1 43 43 LYS N N 15 123.28 0.03 . 1 . . . . . 43 LYS N . 52482 1 250 . 1 . 1 44 44 GLN H H 1 8.49 0.01 . 1 . . . . . 44 GLN H . 52482 1 251 . 1 . 1 44 44 GLN HA H 1 4.31 0.01 . 1 . . . . . 44 GLN HA . 52482 1 252 . 1 . 1 44 44 GLN C C 13 175.78 0.04 . 1 . . . . . 44 GLN C . 52482 1 253 . 1 . 1 44 44 GLN CA C 13 55.96 0.07 . 1 . . . . . 44 GLN CA . 52482 1 254 . 1 . 1 44 44 GLN CB C 13 29.60 0.25 . 1 . . . . . 44 GLN CB . 52482 1 255 . 1 . 1 44 44 GLN N N 15 121.66 0.03 . 1 . . . . . 44 GLN N . 52482 1 256 . 1 . 1 45 45 HIS H H 1 8.58 0.01 . 1 . . . . . 45 HIS H . 52482 1 257 . 1 . 1 45 45 HIS HA H 1 4.63 0.01 . 1 . . . . . 45 HIS HA . 52482 1 258 . 1 . 1 45 45 HIS C C 13 175.18 0.04 . 1 . . . . . 45 HIS C . 52482 1 259 . 1 . 1 45 45 HIS CA C 13 56.04 0.07 . 1 . . . . . 45 HIS CA . 52482 1 260 . 1 . 1 45 45 HIS CB C 13 30.42 0.25 . 1 . . . . . 45 HIS CB . 52482 1 261 . 1 . 1 45 45 HIS N N 15 121.28 0.03 . 1 . . . . . 45 HIS N . 52482 1 262 . 1 . 1 46 46 ARG H H 1 8.56 0.01 . 1 . . . . . 46 ARG H . 52482 1 263 . 1 . 1 46 46 ARG HA H 1 4.27 0.01 . 1 . . . . . 46 ARG HA . 52482 1 264 . 1 . 1 46 46 ARG C C 13 176.46 0.04 . 1 . . . . . 46 ARG C . 52482 1 265 . 1 . 1 46 46 ARG CA C 13 56.44 0.07 . 1 . . . . . 46 ARG CA . 52482 1 266 . 1 . 1 46 46 ARG CB C 13 30.75 0.25 . 1 . . . . . 46 ARG CB . 52482 1 267 . 1 . 1 46 46 ARG N N 15 123.25 0.03 . 1 . . . . . 46 ARG N . 52482 1 268 . 1 . 1 47 47 ARG H H 1 8.66 0.01 . 1 . . . . . 47 ARG H . 52482 1 269 . 1 . 1 47 47 ARG HA H 1 4.27 0.01 . 1 . . . . . 47 ARG HA . 52482 1 270 . 1 . 1 47 47 ARG C C 13 176.52 0.04 . 1 . . . . . 47 ARG C . 52482 1 271 . 1 . 1 47 47 ARG CA C 13 56.54 0.07 . 1 . . . . . 47 ARG CA . 52482 1 272 . 1 . 1 47 47 ARG CB C 13 30.83 0.25 . 1 . . . . . 47 ARG CB . 52482 1 273 . 1 . 1 47 47 ARG N N 15 122.83 0.03 . 1 . . . . . 47 ARG N . 52482 1 274 . 1 . 1 48 48 GLU H H 1 8.61 0.01 . 1 . . . . . 48 GLU H . 52482 1 275 . 1 . 1 48 48 GLU HA H 1 4.26 0.01 . 1 . . . . . 48 GLU HA . 52482 1 276 . 1 . 1 48 48 GLU C C 13 176.73 0.04 . 1 . . . . . 48 GLU C . 52482 1 277 . 1 . 1 48 48 GLU CA C 13 56.75 0.07 . 1 . . . . . 48 GLU CA . 52482 1 278 . 1 . 1 48 48 GLU CB C 13 30.12 0.25 . 1 . . . . . 48 GLU CB . 52482 1 279 . 1 . 1 48 48 GLU N N 15 121.91 0.03 . 1 . . . . . 48 GLU N . 52482 1 280 . 1 . 1 49 49 MET H H 1 8.44 0.01 . 1 . . . . . 49 MET H . 52482 1 281 . 1 . 1 49 49 MET HA H 1 4.45 0.01 . 1 . . . . . 49 MET HA . 52482 1 282 . 1 . 1 49 49 MET C C 13 176.39 0.04 . 1 . . . . . 49 MET C . 52482 1 283 . 1 . 1 49 49 MET CA C 13 55.60 0.07 . 1 . . . . . 49 MET CA . 52482 1 284 . 1 . 1 49 49 MET CB C 13 32.80 0.25 . 1 . . . . . 49 MET CB . 52482 1 285 . 1 . 1 49 49 MET N N 15 121.14 0.03 . 1 . . . . . 49 MET N . 52482 1 286 . 1 . 1 50 50 GLN H H 1 8.47 0.01 . 1 . . . . . 50 GLN H . 52482 1 287 . 1 . 1 50 50 GLN HA H 1 4.32 0.01 . 1 . . . . . 50 GLN HA . 52482 1 288 . 1 . 1 50 50 GLN C C 13 176.06 0.04 . 1 . . . . . 50 GLN C . 52482 1 289 . 1 . 1 50 50 GLN CA C 13 56.04 0.07 . 1 . . . . . 50 GLN CA . 52482 1 290 . 1 . 1 50 50 GLN CB C 13 29.54 0.25 . 1 . . . . . 50 GLN CB . 52482 1 291 . 1 . 1 50 50 GLN N N 15 121.46 0.03 . 1 . . . . . 50 GLN N . 52482 1 292 . 1 . 1 51 51 GLU H H 1 8.58 0.01 . 1 . . . . . 51 GLU H . 52482 1 293 . 1 . 1 51 51 GLU HA H 1 4.28 0.01 . 1 . . . . . 51 GLU HA . 52482 1 294 . 1 . 1 51 51 GLU C C 13 176.57 0.04 . 1 . . . . . 51 GLU C . 52482 1 295 . 1 . 1 51 51 GLU CA C 13 56.72 0.07 . 1 . . . . . 51 GLU CA . 52482 1 296 . 1 . 1 51 51 GLU CB C 13 30.39 0.25 . 1 . . . . . 51 GLU CB . 52482 1 297 . 1 . 1 51 51 GLU N N 15 122.32 0.03 . 1 . . . . . 51 GLU N . 52482 1 298 . 1 . 1 52 52 SER H H 1 8.46 0.01 . 1 . . . . . 52 SER H . 52482 1 299 . 1 . 1 52 52 SER HA H 1 4.46 0.01 . 1 . . . . . 52 SER HA . 52482 1 300 . 1 . 1 52 52 SER C C 13 174.50 0.04 . 1 . . . . . 52 SER C . 52482 1 301 . 1 . 1 52 52 SER CA C 13 58.42 0.07 . 1 . . . . . 52 SER CA . 52482 1 302 . 1 . 1 52 52 SER CB C 13 63.91 0.25 . 1 . . . . . 52 SER CB . 52482 1 303 . 1 . 1 52 52 SER N N 15 117.15 0.03 . 1 . . . . . 52 SER N . 52482 1 304 . 1 . 1 53 53 VAL H H 1 8.23 0.01 . 1 . . . . . 53 VAL H . 52482 1 305 . 1 . 1 53 53 VAL HA H 1 4.11 0.01 . 1 . . . . . 53 VAL HA . 52482 1 306 . 1 . 1 53 53 VAL C C 13 176.12 0.04 . 1 . . . . . 53 VAL C . 52482 1 307 . 1 . 1 53 53 VAL CA C 13 62.36 0.07 . 1 . . . . . 53 VAL CA . 52482 1 308 . 1 . 1 53 53 VAL CB C 13 32.74 0.25 . 1 . . . . . 53 VAL CB . 52482 1 309 . 1 . 1 53 53 VAL N N 15 122.06 0.03 . 1 . . . . . 53 VAL N . 52482 1 310 . 1 . 1 54 54 GLN H H 1 8.51 0.01 . 1 . . . . . 54 GLN H . 52482 1 311 . 1 . 1 54 54 GLN HA H 1 4.36 0.01 . 1 . . . . . 54 GLN HA . 52482 1 312 . 1 . 1 54 54 GLN C C 13 176.04 0.04 . 1 . . . . . 54 GLN C . 52482 1 313 . 1 . 1 54 54 GLN CA C 13 55.66 0.07 . 1 . . . . . 54 GLN CA . 52482 1 314 . 1 . 1 54 54 GLN CB C 13 29.54 0.25 . 1 . . . . . 54 GLN CB . 52482 1 315 . 1 . 1 54 54 GLN N N 15 124.36 0.03 . 1 . . . . . 54 GLN N . 52482 1 316 . 1 . 1 55 55 VAL H H 1 8.40 0.01 . 1 . . . . . 55 VAL H . 52482 1 317 . 1 . 1 55 55 VAL HA H 1 4.08 0.01 . 1 . . . . . 55 VAL HA . 52482 1 318 . 1 . 1 55 55 VAL C C 13 176.05 0.04 . 1 . . . . . 55 VAL C . 52482 1 319 . 1 . 1 55 55 VAL CA C 13 62.49 0.07 . 1 . . . . . 55 VAL CA . 52482 1 320 . 1 . 1 55 55 VAL CB C 13 32.88 0.25 . 1 . . . . . 55 VAL CB . 52482 1 321 . 1 . 1 55 55 VAL N N 15 122.28 0.03 . 1 . . . . . 55 VAL N . 52482 1 322 . 1 . 1 56 56 ASN H H 1 8.70 0.01 . 1 . . . . . 56 ASN H . 52482 1 323 . 1 . 1 56 56 ASN HA H 1 4.69 0.01 . 1 . . . . . 56 ASN HA . 52482 1 324 . 1 . 1 56 56 ASN C C 13 175.63 0.04 . 1 . . . . . 56 ASN C . 52482 1 325 . 1 . 1 56 56 ASN CA C 13 53.33 0.07 . 1 . . . . . 56 ASN CA . 52482 1 326 . 1 . 1 56 56 ASN CB C 13 38.85 0.25 . 1 . . . . . 56 ASN CB . 52482 1 327 . 1 . 1 56 56 ASN N N 15 122.36 0.03 . 1 . . . . . 56 ASN N . 52482 1 328 . 1 . 1 57 57 GLY H H 1 8.49 0.01 . 1 . . . . . 57 GLY H . 52482 1 329 . 1 . 1 57 57 GLY HA2 H 1 3.94 0.01 . 1 . . . . . 57 GLY HA2 . 52482 1 330 . 1 . 1 57 57 GLY HA3 H 1 3.94 0.01 . 1 . . . . . 57 GLY HA3 . 52482 1 331 . 1 . 1 57 57 GLY C C 13 173.84 0.04 . 1 . . . . . 57 GLY C . 52482 1 332 . 1 . 1 57 57 GLY CA C 13 45.26 0.07 . 1 . . . . . 57 GLY CA . 52482 1 333 . 1 . 1 57 57 GLY N N 15 109.27 0.03 . 1 . . . . . 57 GLY N . 52482 1 334 . 1 . 1 58 58 ARG H H 1 8.18 0.01 . 1 . . . . . 58 ARG H . 52482 1 335 . 1 . 1 58 58 ARG HA H 1 4.37 0.01 . 1 . . . . . 58 ARG HA . 52482 1 336 . 1 . 1 58 58 ARG C C 13 176.15 0.04 . 1 . . . . . 58 ARG C . 52482 1 337 . 1 . 1 58 58 ARG CA C 13 55.74 0.07 . 1 . . . . . 58 ARG CA . 52482 1 338 . 1 . 1 58 58 ARG CB C 13 31.05 0.25 . 1 . . . . . 58 ARG CB . 52482 1 339 . 1 . 1 58 58 ARG N N 15 120.46 0.03 . 1 . . . . . 58 ARG N . 52482 1 340 . 1 . 1 59 59 VAL H H 1 8.31 0.01 . 1 . . . . . 59 VAL H . 52482 1 341 . 1 . 1 59 59 VAL HA H 1 4.40 0.01 . 1 . . . . . 59 VAL HA . 52482 1 342 . 1 . 1 59 59 VAL C C 13 174.33 0.04 . 1 . . . . . 59 VAL C . 52482 1 343 . 1 . 1 59 59 VAL CA C 13 59.86 0.07 . 1 . . . . . 59 VAL CA . 52482 1 344 . 1 . 1 59 59 VAL CB C 13 32.64 0.25 . 1 . . . . . 59 VAL CB . 52482 1 345 . 1 . 1 59 59 VAL N N 15 123.54 0.03 . 1 . . . . . 59 VAL N . 52482 1 346 . 1 . 1 60 60 PRO HA H 1 4.41 0.01 . 1 . . . . . 60 PRO HA . 52482 1 347 . 1 . 1 60 60 PRO C C 13 176.45 0.04 . 1 . . . . . 60 PRO C . 52482 1 348 . 1 . 1 60 60 PRO CA C 13 62.73 0.07 . 1 . . . . . 60 PRO CA . 52482 1 349 . 1 . 1 60 60 PRO CB C 13 32.28 0.25 . 1 . . . . . 60 PRO CB . 52482 1 350 . 1 . 1 60 60 PRO N N 15 139.57 0.10 . 1 . . . . . 60 PRO N . 52482 1 351 . 1 . 1 61 61 LEU H H 1 8.42 0.01 . 1 . . . . . 61 LEU H . 52482 1 352 . 1 . 1 61 61 LEU CA C 13 52.99 0.10 . 1 . . . . . 61 LEU CA . 52482 1 353 . 1 . 1 61 61 LEU CB C 13 41.65 0.25 . 1 . . . . . 61 LEU CB . 52482 1 354 . 1 . 1 61 61 LEU N N 15 123.98 0.03 . 1 . . . . . 61 LEU N . 52482 1 355 . 1 . 1 62 62 PRO HA H 1 4.38 0.01 . 1 . . . . . 62 PRO HA . 52482 1 356 . 1 . 1 62 62 PRO C C 13 176.41 0.04 . 1 . . . . . 62 PRO C . 52482 1 357 . 1 . 1 62 62 PRO CA C 13 62.91 0.07 . 1 . . . . . 62 PRO CA . 52482 1 358 . 1 . 1 62 62 PRO CB C 13 32.25 0.25 . 1 . . . . . 62 PRO CB . 52482 1 359 . 1 . 1 63 63 HIS H H 1 8.53 0.01 . 1 . . . . . 63 HIS H . 52482 1 360 . 1 . 1 63 63 HIS HA H 1 4.61 0.01 . 1 . . . . . 63 HIS HA . 52482 1 361 . 1 . 1 63 63 HIS C C 13 174.64 0.04 . 1 . . . . . 63 HIS C . 52482 1 362 . 1 . 1 63 63 HIS CA C 13 55.74 0.07 . 1 . . . . . 63 HIS CA . 52482 1 363 . 1 . 1 63 63 HIS CB C 13 30.17 0.25 . 1 . . . . . 63 HIS CB . 52482 1 364 . 1 . 1 63 63 HIS N N 15 119.74 0.03 . 1 . . . . . 63 HIS N . 52482 1 365 . 1 . 1 64 64 ILE H H 1 8.24 0.01 . 1 . . . . . 64 ILE H . 52482 1 366 . 1 . 1 64 64 ILE HA H 1 4.41 0.01 . 1 . . . . . 64 ILE HA . 52482 1 367 . 1 . 1 64 64 ILE C C 13 174.07 0.04 . 1 . . . . . 64 ILE C . 52482 1 368 . 1 . 1 64 64 ILE CA C 13 58.23 0.07 . 1 . . . . . 64 ILE CA . 52482 1 369 . 1 . 1 64 64 ILE CB C 13 38.58 0.25 . 1 . . . . . 64 ILE CB . 52482 1 370 . 1 . 1 64 64 ILE N N 15 125.73 0.03 . 1 . . . . . 64 ILE N . 52482 1 371 . 1 . 1 65 65 PRO HA H 1 4.38 0.01 . 1 . . . . . 65 PRO HA . 52482 1 372 . 1 . 1 65 65 PRO C C 13 176.72 0.04 . 1 . . . . . 65 PRO C . 52482 1 373 . 1 . 1 65 65 PRO CA C 13 63.01 0.07 . 1 . . . . . 65 PRO CA . 52482 1 374 . 1 . 1 65 65 PRO CB C 13 32.44 0.25 . 1 . . . . . 65 PRO CB . 52482 1 375 . 1 . 1 66 66 ARG H H 1 8.68 0.01 . 1 . . . . . 66 ARG H . 52482 1 376 . 1 . 1 66 66 ARG HA H 1 4.30 0.01 . 1 . . . . . 66 ARG HA . 52482 1 377 . 1 . 1 66 66 ARG C C 13 176.44 0.04 . 1 . . . . . 66 ARG C . 52482 1 378 . 1 . 1 66 66 ARG CA C 13 56.18 0.07 . 1 . . . . . 66 ARG CA . 52482 1 379 . 1 . 1 66 66 ARG CB C 13 30.96 0.25 . 1 . . . . . 66 ARG CB . 52482 1 380 . 1 . 1 66 66 ARG N N 15 122.26 0.03 . 1 . . . . . 66 ARG N . 52482 1 381 . 1 . 1 67 67 THR H H 1 8.20 0.01 . 1 . . . . . 67 THR H . 52482 1 382 . 1 . 1 67 67 THR HA H 1 4.30 0.01 . 1 . . . . . 67 THR HA . 52482 1 383 . 1 . 1 67 67 THR C C 13 173.88 0.04 . 1 . . . . . 67 THR C . 52482 1 384 . 1 . 1 67 67 THR CA C 13 61.59 0.07 . 1 . . . . . 67 THR CA . 52482 1 385 . 1 . 1 67 67 THR CB C 13 70.07 0.25 . 1 . . . . . 67 THR CB . 52482 1 386 . 1 . 1 67 67 THR N N 15 115.18 0.03 . 1 . . . . . 67 THR N . 52482 1 387 . 1 . 1 68 68 TYR H H 1 8.35 0.01 . 1 . . . . . 68 TYR H . 52482 1 388 . 1 . 1 68 68 TYR HA H 1 4.25 0.01 . 1 . . . . . 68 TYR HA . 52482 1 389 . 1 . 1 68 68 TYR C C 13 175.09 0.04 . 1 . . . . . 68 TYR C . 52482 1 390 . 1 . 1 68 68 TYR CA C 13 57.70 0.07 . 1 . . . . . 68 TYR CA . 52482 1 391 . 1 . 1 68 68 TYR CB C 13 39.24 0.25 . 1 . . . . . 68 TYR CB . 52482 1 392 . 1 . 1 68 68 TYR N N 15 123.27 0.03 . 1 . . . . . 68 TYR N . 52482 1 393 . 1 . 1 69 69 ARG H H 1 8.23 0.01 . 1 . . . . . 69 ARG H . 52482 1 394 . 1 . 1 69 69 ARG HA H 1 4.31 0.01 . 1 . . . . . 69 ARG HA . 52482 1 395 . 1 . 1 69 69 ARG C C 13 175.33 0.04 . 1 . . . . . 69 ARG C . 52482 1 396 . 1 . 1 69 69 ARG CA C 13 55.36 0.07 . 1 . . . . . 69 ARG CA . 52482 1 397 . 1 . 1 69 69 ARG CB C 13 31.21 0.25 . 1 . . . . . 69 ARG CB . 52482 1 398 . 1 . 1 69 69 ARG N N 15 124.40 0.03 . 1 . . . . . 69 ARG N . 52482 1 399 . 1 . 1 70 70 VAL H H 1 8.30 0.01 . 1 . . . . . 70 VAL H . 52482 1 400 . 1 . 1 70 70 VAL HA H 1 4.29 0.01 . 1 . . . . . 70 VAL HA . 52482 1 401 . 1 . 1 70 70 VAL C C 13 174.45 0.04 . 1 . . . . . 70 VAL C . 52482 1 402 . 1 . 1 70 70 VAL CA C 13 59.96 0.07 . 1 . . . . . 70 VAL CA . 52482 1 403 . 1 . 1 70 70 VAL CB C 13 32.58 0.25 . 1 . . . . . 70 VAL CB . 52482 1 404 . 1 . 1 70 70 VAL N N 15 123.80 0.03 . 1 . . . . . 70 VAL N . 52482 1 405 . 1 . 1 71 71 PRO HA H 1 4.39 0.01 . 1 . . . . . 71 PRO HA . 52482 1 406 . 1 . 1 71 71 PRO C C 13 176.70 0.04 . 1 . . . . . 71 PRO C . 52482 1 407 . 1 . 1 71 71 PRO CA C 13 63.03 0.07 . 1 . . . . . 71 PRO CA . 52482 1 408 . 1 . 1 71 71 PRO CB C 13 32.39 0.25 . 1 . . . . . 71 PRO CB . 52482 1 409 . 1 . 1 71 71 PRO N N 15 140.06 0.10 . 1 . . . . . 71 PRO N . 52482 1 410 . 1 . 1 72 72 LYS H H 1 8.47 0.01 . 1 . . . . . 72 LYS H . 52482 1 411 . 1 . 1 72 72 LYS HA H 1 4.23 0.01 . 1 . . . . . 72 LYS HA . 52482 1 412 . 1 . 1 72 72 LYS C C 13 176.56 0.04 . 1 . . . . . 72 LYS C . 52482 1 413 . 1 . 1 72 72 LYS CA C 13 56.51 0.07 . 1 . . . . . 72 LYS CA . 52482 1 414 . 1 . 1 72 72 LYS CB C 13 33.24 0.25 . 1 . . . . . 72 LYS CB . 52482 1 415 . 1 . 1 72 72 LYS N N 15 122.11 0.03 . 1 . . . . . 72 LYS N . 52482 1 416 . 1 . 1 73 73 GLU H H 1 8.54 0.01 . 1 . . . . . 73 GLU H . 52482 1 417 . 1 . 1 73 73 GLU C C 13 176.15 0.04 . 1 . . . . . 73 GLU C . 52482 1 418 . 1 . 1 73 73 GLU CA C 13 56.38 0.10 . 1 . . . . . 73 GLU CA . 52482 1 419 . 1 . 1 73 73 GLU CB C 13 30.31 0.25 . 1 . . . . . 73 GLU CB . 52482 1 420 . 1 . 1 73 73 GLU N N 15 122.59 0.03 . 1 . . . . . 73 GLU N . 52482 1 421 . 1 . 1 74 74 VAL H H 1 8.37 0.01 . 1 . . . . . 74 VAL H . 52482 1 422 . 1 . 1 74 74 VAL HA H 1 4.07 0.01 . 1 . . . . . 74 VAL HA . 52482 1 423 . 1 . 1 74 74 VAL C C 13 175.77 0.04 . 1 . . . . . 74 VAL C . 52482 1 424 . 1 . 1 74 74 VAL CA C 13 62.17 0.07 . 1 . . . . . 74 VAL CA . 52482 1 425 . 1 . 1 74 74 VAL CB C 13 32.83 0.25 . 1 . . . . . 74 VAL CB . 52482 1 426 . 1 . 1 74 74 VAL N N 15 123.02 0.03 . 1 . . . . . 74 VAL N . 52482 1 427 . 1 . 1 75 75 ARG H H 1 8.54 0.01 . 1 . . . . . 75 ARG H . 52482 1 428 . 1 . 1 75 75 ARG HA H 1 4.38 0.01 . 1 . . . . . 75 ARG HA . 52482 1 429 . 1 . 1 75 75 ARG C C 13 175.86 0.04 . 1 . . . . . 75 ARG C . 52482 1 430 . 1 . 1 75 75 ARG CA C 13 55.74 0.07 . 1 . . . . . 75 ARG CA . 52482 1 431 . 1 . 1 75 75 ARG CB C 13 31.13 0.25 . 1 . . . . . 75 ARG CB . 52482 1 432 . 1 . 1 75 75 ARG N N 15 126.39 0.03 . 1 . . . . . 75 ARG N . 52482 1 433 . 1 . 1 76 76 VAL H H 1 8.44 0.01 . 1 . . . . . 76 VAL H . 52482 1 434 . 1 . 1 76 76 VAL HA H 1 4.10 0.01 . 1 . . . . . 76 VAL HA . 52482 1 435 . 1 . 1 76 76 VAL C C 13 175.83 0.04 . 1 . . . . . 76 VAL C . 52482 1 436 . 1 . 1 76 76 VAL CA C 13 61.91 0.07 . 1 . . . . . 76 VAL CA . 52482 1 437 . 1 . 1 76 76 VAL CB C 13 32.99 0.25 . 1 . . . . . 76 VAL CB . 52482 1 438 . 1 . 1 76 76 VAL N N 15 123.55 0.03 . 1 . . . . . 76 VAL N . 52482 1 439 . 1 . 1 77 77 GLU H H 1 8.66 0.01 . 1 . . . . . 77 GLU H . 52482 1 440 . 1 . 1 77 77 GLU HA H 1 4.58 0.01 . 1 . . . . . 77 GLU HA . 52482 1 441 . 1 . 1 77 77 GLU C C 13 174.47 0.04 . 1 . . . . . 77 GLU C . 52482 1 442 . 1 . 1 77 77 GLU CA C 13 54.20 0.07 . 1 . . . . . 77 GLU CA . 52482 1 443 . 1 . 1 77 77 GLU CB C 13 29.71 0.25 . 1 . . . . . 77 GLU CB . 52482 1 444 . 1 . 1 77 77 GLU N N 15 127.08 0.03 . 1 . . . . . 77 GLU N . 52482 1 445 . 1 . 1 78 78 PRO HA H 1 4.37 0.01 . 1 . . . . . 78 PRO HA . 52482 1 446 . 1 . 1 78 78 PRO C C 13 177.12 0.04 . 1 . . . . . 78 PRO C . 52482 1 447 . 1 . 1 78 78 PRO CA C 13 63.24 0.07 . 1 . . . . . 78 PRO CA . 52482 1 448 . 1 . 1 78 78 PRO CB C 13 32.31 0.25 . 1 . . . . . 78 PRO CB . 52482 1 449 . 1 . 1 78 78 PRO N N 15 137.17 0.10 . 1 . . . . . 78 PRO N . 52482 1 450 . 1 . 1 79 79 GLN H H 1 8.66 0.01 . 1 . . . . . 79 GLN H . 52482 1 451 . 1 . 1 79 79 GLN HA H 1 4.20 0.01 . 1 . . . . . 79 GLN HA . 52482 1 452 . 1 . 1 79 79 GLN C C 13 176.18 0.04 . 1 . . . . . 79 GLN C . 52482 1 453 . 1 . 1 79 79 GLN CA C 13 56.23 0.07 . 1 . . . . . 79 GLN CA . 52482 1 454 . 1 . 1 79 79 GLN CB C 13 29.38 0.25 . 1 . . . . . 79 GLN CB . 52482 1 455 . 1 . 1 79 79 GLN N N 15 120.87 0.03 . 1 . . . . . 79 GLN N . 52482 1 456 . 1 . 1 80 80 LYS HA H 1 4.25 0.01 . 1 . . . . . 80 LYS HA . 52482 1 457 . 1 . 1 80 80 LYS C C 13 176.62 0.04 . 1 . . . . . 80 LYS C . 52482 1 458 . 1 . 1 80 80 LYS CA C 13 56.63 0.07 . 1 . . . . . 80 LYS CA . 52482 1 459 . 1 . 1 80 80 LYS CB C 13 33.10 0.25 . 1 . . . . . 80 LYS CB . 52482 1 460 . 1 . 1 81 81 PHE H H 1 8.35 0.01 . 1 . . . . . 81 PHE H . 52482 1 461 . 1 . 1 81 81 PHE HA H 1 4.15 0.01 . 1 . . . . . 81 PHE HA . 52482 1 462 . 1 . 1 81 81 PHE C C 13 175.96 0.04 . 1 . . . . . 81 PHE C . 52482 1 463 . 1 . 1 81 81 PHE CA C 13 58.05 0.07 . 1 . . . . . 81 PHE CA . 52482 1 464 . 1 . 1 81 81 PHE CB C 13 39.45 0.25 . 1 . . . . . 81 PHE CB . 52482 1 465 . 1 . 1 81 81 PHE N N 15 121.32 0.03 . 1 . . . . . 81 PHE N . 52482 1 466 . 1 . 1 82 82 ALA H H 1 8.34 0.01 . 1 . . . . . 82 ALA H . 52482 1 467 . 1 . 1 82 82 ALA HA H 1 4.20 0.01 . 1 . . . . . 82 ALA HA . 52482 1 468 . 1 . 1 82 82 ALA C C 13 178.29 0.04 . 1 . . . . . 82 ALA C . 52482 1 469 . 1 . 1 82 82 ALA CA C 13 53.18 0.07 . 1 . . . . . 82 ALA CA . 52482 1 470 . 1 . 1 82 82 ALA CB C 13 19.13 0.25 . 1 . . . . . 82 ALA CB . 52482 1 471 . 1 . 1 82 82 ALA N N 15 124.58 0.03 . 1 . . . . . 82 ALA N . 52482 1 472 . 1 . 1 83 83 GLU H H 1 8.38 0.01 . 1 . . . . . 83 GLU H . 52482 1 473 . 1 . 1 83 83 GLU HA H 1 4.09 0.01 . 1 . . . . . 83 GLU HA . 52482 1 474 . 1 . 1 83 83 GLU C C 13 177.25 0.04 . 1 . . . . . 83 GLU C . 52482 1 475 . 1 . 1 83 83 GLU CA C 13 57.62 0.07 . 1 . . . . . 83 GLU CA . 52482 1 476 . 1 . 1 83 83 GLU CB C 13 30.17 0.25 . 1 . . . . . 83 GLU CB . 52482 1 477 . 1 . 1 83 83 GLU N N 15 119.94 0.03 . 1 . . . . . 83 GLU N . 52482 1 478 . 1 . 1 84 84 GLU H H 1 8.47 0.01 . 1 . . . . . 84 GLU H . 52482 1 479 . 1 . 1 84 84 GLU C C 13 177.38 0.04 . 1 . . . . . 84 GLU C . 52482 1 480 . 1 . 1 84 84 GLU N N 15 121.01 0.03 . 1 . . . . . 84 GLU N . 52482 1 481 . 1 . 1 86 86 ILE H H 1 7.90 0.01 . 1 . . . . . 86 ILE H . 52482 1 482 . 1 . 1 86 86 ILE C C 13 177.07 0.04 . 1 . . . . . 86 ILE C . 52482 1 483 . 1 . 1 86 86 ILE CA C 13 62.58 0.10 . 1 . . . . . 86 ILE CA . 52482 1 484 . 1 . 1 86 86 ILE CB C 13 38.20 0.25 . 1 . . . . . 86 ILE CB . 52482 1 485 . 1 . 1 86 86 ILE N N 15 120.09 0.03 . 1 . . . . . 86 ILE N . 52482 1 486 . 1 . 1 87 87 HIS H H 1 8.28 0.01 . 1 . . . . . 87 HIS H . 52482 1 487 . 1 . 1 87 87 HIS HA H 1 4.64 0.01 . 1 . . . . . 87 HIS HA . 52482 1 488 . 1 . 1 87 87 HIS C C 13 176.20 0.04 . 1 . . . . . 87 HIS C . 52482 1 489 . 1 . 1 87 87 HIS CA C 13 56.63 0.07 . 1 . . . . . 87 HIS CA . 52482 1 490 . 1 . 1 87 87 HIS CB C 13 29.46 0.25 . 1 . . . . . 87 HIS CB . 52482 1 491 . 1 . 1 87 87 HIS N N 15 120.97 0.03 . 1 . . . . . 87 HIS N . 52482 1 492 . 1 . 1 88 88 ARG H H 1 8.32 0.01 . 1 . . . . . 88 ARG H . 52482 1 493 . 1 . 1 88 88 ARG C C 13 177.31 0.04 . 1 . . . . . 88 ARG C . 52482 1 494 . 1 . 1 88 88 ARG CA C 13 57.57 0.10 . 1 . . . . . 88 ARG CA . 52482 1 495 . 1 . 1 88 88 ARG CB C 13 30.61 0.25 . 1 . . . . . 88 ARG CB . 52482 1 496 . 1 . 1 88 88 ARG N N 15 122.35 0.03 . 1 . . . . . 88 ARG N . 52482 1 497 . 1 . 1 89 89 LEU H H 1 8.38 0.01 . 1 . . . . . 89 LEU H . 52482 1 498 . 1 . 1 89 89 LEU N N 15 122.20 0.03 . 1 . . . . . 89 LEU N . 52482 1 499 . 1 . 1 90 90 GLU HA H 1 4.19 0.01 . 1 . . . . . 90 GLU HA . 52482 1 500 . 1 . 1 90 90 GLU C C 13 177.24 0.04 . 1 . . . . . 90 GLU C . 52482 1 501 . 1 . 1 90 90 GLU CA C 13 57.47 0.07 . 1 . . . . . 90 GLU CA . 52482 1 502 . 1 . 1 90 90 GLU CB C 13 30.01 0.25 . 1 . . . . . 90 GLU CB . 52482 1 503 . 1 . 1 91 91 ALA H H 1 8.16 0.01 . 1 . . . . . 91 ALA H . 52482 1 504 . 1 . 1 91 91 ALA HA H 1 4.22 0.01 . 1 . . . . . 91 ALA HA . 52482 1 505 . 1 . 1 91 91 ALA C C 13 179.00 0.04 . 1 . . . . . 91 ALA C . 52482 1 506 . 1 . 1 91 91 ALA CA C 13 53.53 0.07 . 1 . . . . . 91 ALA CA . 52482 1 507 . 1 . 1 91 91 ALA CB C 13 18.78 0.25 . 1 . . . . . 91 ALA CB . 52482 1 508 . 1 . 1 91 91 ALA N N 15 123.82 0.03 . 1 . . . . . 91 ALA N . 52482 1 509 . 1 . 1 92 92 VAL H H 1 8.06 0.01 . 1 . . . . . 92 VAL H . 52482 1 510 . 1 . 1 92 92 VAL HA H 1 3.94 0.01 . 1 . . . . . 92 VAL HA . 52482 1 511 . 1 . 1 92 92 VAL C C 13 177.23 0.04 . 1 . . . . . 92 VAL C . 52482 1 512 . 1 . 1 92 92 VAL CA C 13 63.95 0.07 . 1 . . . . . 92 VAL CA . 52482 1 513 . 1 . 1 92 92 VAL CB C 13 32.53 0.25 . 1 . . . . . 92 VAL CB . 52482 1 514 . 1 . 1 92 92 VAL N N 15 119.54 0.03 . 1 . . . . . 92 VAL N . 52482 1 515 . 1 . 1 93 93 GLN H H 1 8.30 0.01 . 1 . . . . . 93 GLN H . 52482 1 516 . 1 . 1 93 93 GLN HA H 1 4.21 0.01 . 1 . . . . . 93 GLN HA . 52482 1 517 . 1 . 1 93 93 GLN C C 13 176.84 0.04 . 1 . . . . . 93 GLN C . 52482 1 518 . 1 . 1 93 93 GLN CA C 13 56.99 0.07 . 1 . . . . . 93 GLN CA . 52482 1 519 . 1 . 1 93 93 GLN CB C 13 28.72 0.25 . 1 . . . . . 93 GLN CB . 52482 1 520 . 1 . 1 93 93 GLN N N 15 122.81 0.03 . 1 . . . . . 93 GLN N . 52482 1 521 . 1 . 1 94 94 ARG H H 1 8.44 0.01 . 1 . . . . . 94 ARG H . 52482 1 522 . 1 . 1 94 94 ARG HA H 1 4.31 0.01 . 1 . . . . . 94 ARG HA . 52482 1 523 . 1 . 1 94 94 ARG C C 13 177.96 0.04 . 1 . . . . . 94 ARG C . 52482 1 524 . 1 . 1 94 94 ARG CA C 13 57.45 0.07 . 1 . . . . . 94 ARG CA . 52482 1 525 . 1 . 1 94 94 ARG CB C 13 30.86 0.25 . 1 . . . . . 94 ARG CB . 52482 1 526 . 1 . 1 94 94 ARG N N 15 121.55 0.03 . 1 . . . . . 94 ARG N . 52482 1 527 . 1 . 1 95 95 THR H H 1 8.25 0.01 . 1 . . . . . 95 THR H . 52482 1 528 . 1 . 1 95 95 THR HA H 1 4.21 0.01 . 1 . . . . . 95 THR HA . 52482 1 529 . 1 . 1 95 95 THR C C 13 175.26 0.04 . 1 . . . . . 95 THR C . 52482 1 530 . 1 . 1 95 95 THR CA C 13 63.71 0.07 . 1 . . . . . 95 THR CA . 52482 1 531 . 1 . 1 95 95 THR CB C 13 69.66 0.25 . 1 . . . . . 95 THR CB . 52482 1 532 . 1 . 1 95 95 THR N N 15 116.44 0.03 . 1 . . . . . 95 THR N . 52482 1 533 . 1 . 1 96 96 ARG H H 1 8.43 0.01 . 1 . . . . . 96 ARG H . 52482 1 534 . 1 . 1 96 96 ARG HA H 1 4.57 0.01 . 1 . . . . . 96 ARG HA . 52482 1 535 . 1 . 1 96 96 ARG C C 13 177.65 0.04 . 1 . . . . . 96 ARG C . 52482 1 536 . 1 . 1 96 96 ARG CA C 13 57.83 0.07 . 1 . . . . . 96 ARG CA . 52482 1 537 . 1 . 1 96 96 ARG CB C 13 30.28 0.25 . 1 . . . . . 96 ARG CB . 52482 1 538 . 1 . 1 96 96 ARG N N 15 123.27 0.03 . 1 . . . . . 96 ARG N . 52482 1 539 . 1 . 1 97 97 GLU H H 1 8.52 0.01 . 1 . . . . . 97 GLU H . 52482 1 540 . 1 . 1 97 97 GLU HA H 1 4.13 0.01 . 1 . . . . . 97 GLU HA . 52482 1 541 . 1 . 1 97 97 GLU C C 13 177.74 0.04 . 1 . . . . . 97 GLU C . 52482 1 542 . 1 . 1 97 97 GLU CA C 13 58.16 0.07 . 1 . . . . . 97 GLU CA . 52482 1 543 . 1 . 1 97 97 GLU CB C 13 29.84 0.25 . 1 . . . . . 97 GLU CB . 52482 1 544 . 1 . 1 97 97 GLU N N 15 120.63 0.03 . 1 . . . . . 97 GLU N . 52482 1 545 . 1 . 1 98 98 ALA H H 1 8.16 0.01 . 1 . . . . . 98 ALA H . 52482 1 546 . 1 . 1 98 98 ALA HA H 1 4.21 0.01 . 1 . . . . . 98 ALA HA . 52482 1 547 . 1 . 1 98 98 ALA C C 13 179.55 0.04 . 1 . . . . . 98 ALA C . 52482 1 548 . 1 . 1 98 98 ALA CA C 13 53.94 0.07 . 1 . . . . . 98 ALA CA . 52482 1 549 . 1 . 1 98 98 ALA CB C 13 18.70 0.25 . 1 . . . . . 98 ALA CB . 52482 1 550 . 1 . 1 98 98 ALA N N 15 122.98 0.03 . 1 . . . . . 98 ALA N . 52482 1 551 . 1 . 1 99 99 GLU H H 1 8.31 0.01 . 1 . . . . . 99 GLU H . 52482 1 552 . 1 . 1 99 99 GLU HA H 1 4.13 0.01 . 1 . . . . . 99 GLU HA . 52482 1 553 . 1 . 1 99 99 GLU C C 13 178.06 0.04 . 1 . . . . . 99 GLU C . 52482 1 554 . 1 . 1 99 99 GLU CA C 13 57.98 0.07 . 1 . . . . . 99 GLU CA . 52482 1 555 . 1 . 1 99 99 GLU CB C 13 30.01 0.25 . 1 . . . . . 99 GLU CB . 52482 1 556 . 1 . 1 99 99 GLU N N 15 120.03 0.03 . 1 . . . . . 99 GLU N . 52482 1 557 . 1 . 1 100 100 GLU H H 1 8.45 0.01 . 1 . . . . . 100 GLU H . 52482 1 558 . 1 . 1 100 100 GLU C C 13 178.01 0.04 . 1 . . . . . 100 GLU C . 52482 1 559 . 1 . 1 100 100 GLU CA C 13 58.02 0.10 . 1 . . . . . 100 GLU CA . 52482 1 560 . 1 . 1 100 100 GLU N N 15 121.40 0.03 . 1 . . . . . 100 GLU N . 52482 1 561 . 1 . 1 102 102 LEU H H 1 8.12 0.01 . 1 . . . . . 102 LEU H . 52482 1 562 . 1 . 1 102 102 LEU C C 13 178.21 0.04 . 1 . . . . . 102 LEU C . 52482 1 563 . 1 . 1 102 102 LEU CA C 13 57.38 0.10 . 1 . . . . . 102 LEU CA . 52482 1 564 . 1 . 1 102 102 LEU CB C 13 42.08 0.25 . 1 . . . . . 102 LEU CB . 52482 1 565 . 1 . 1 102 102 LEU N N 15 122.99 0.03 . 1 . . . . . 102 LEU N . 52482 1 566 . 1 . 1 103 103 GLU H H 1 8.45 0.01 . 1 . . . . . 103 GLU H . 52482 1 567 . 1 . 1 103 103 GLU HA H 1 4.08 0.01 . 1 . . . . . 103 GLU HA . 52482 1 568 . 1 . 1 103 103 GLU C C 13 178.32 0.04 . 1 . . . . . 103 GLU C . 52482 1 569 . 1 . 1 103 103 GLU CA C 13 58.46 0.07 . 1 . . . . . 103 GLU CA . 52482 1 570 . 1 . 1 103 103 GLU CB C 13 29.57 0.25 . 1 . . . . . 103 GLU CB . 52482 1 571 . 1 . 1 103 103 GLU N N 15 119.42 0.03 . 1 . . . . . 103 GLU N . 52482 1 572 . 1 . 1 104 104 GLU H H 1 8.08 0.01 . 1 . . . . . 104 GLU H . 52482 1 573 . 1 . 1 104 104 GLU HA H 1 4.14 0.01 . 1 . . . . . 104 GLU HA . 52482 1 574 . 1 . 1 104 104 GLU C C 13 178.11 0.04 . 1 . . . . . 104 GLU C . 52482 1 575 . 1 . 1 104 104 GLU CA C 13 58.28 0.07 . 1 . . . . . 104 GLU CA . 52482 1 576 . 1 . 1 104 104 GLU CB C 13 29.71 0.25 . 1 . . . . . 104 GLU CB . 52482 1 577 . 1 . 1 104 104 GLU N N 15 120.08 0.03 . 1 . . . . . 104 GLU N . 52482 1 578 . 1 . 1 105 105 ARG H H 1 8.11 0.01 . 1 . . . . . 105 ARG H . 52482 1 579 . 1 . 1 105 105 ARG HA H 1 4.10 0.01 . 1 . . . . . 105 ARG HA . 52482 1 580 . 1 . 1 105 105 ARG C C 13 177.95 0.04 . 1 . . . . . 105 ARG C . 52482 1 581 . 1 . 1 105 105 ARG CA C 13 58.28 0.07 . 1 . . . . . 105 ARG CA . 52482 1 582 . 1 . 1 105 105 ARG CB C 13 30.23 0.25 . 1 . . . . . 105 ARG CB . 52482 1 583 . 1 . 1 105 105 ARG N N 15 120.85 0.03 . 1 . . . . . 105 ARG N . 52482 1 584 . 1 . 1 106 106 LEU H H 1 8.25 0.01 . 1 . . . . . 106 LEU H . 52482 1 585 . 1 . 1 106 106 LEU HA H 1 4.13 0.01 . 1 . . . . . 106 LEU HA . 52482 1 586 . 1 . 1 106 106 LEU C C 13 178.66 0.04 . 1 . . . . . 106 LEU C . 52482 1 587 . 1 . 1 106 106 LEU CA C 13 58.11 0.07 . 1 . . . . . 106 LEU CA . 52482 1 588 . 1 . 1 106 106 LEU CB C 13 41.84 0.25 . 1 . . . . . 106 LEU CB . 52482 1 589 . 1 . 1 106 106 LEU N N 15 120.04 0.03 . 1 . . . . . 106 LEU N . 52482 1 590 . 1 . 1 107 107 LYS H H 1 7.96 0.01 . 1 . . . . . 107 LYS H . 52482 1 591 . 1 . 1 107 107 LYS C C 13 177.40 0.04 . 1 . . . . . 107 LYS C . 52482 1 592 . 1 . 1 107 107 LYS CA C 13 57.88 0.10 . 1 . . . . . 107 LYS CA . 52482 1 593 . 1 . 1 107 107 LYS CB C 13 32.83 0.25 . 1 . . . . . 107 LYS CB . 52482 1 594 . 1 . 1 107 107 LYS N N 15 120.27 0.03 . 1 . . . . . 107 LYS N . 52482 1 595 . 1 . 1 108 108 ARG H H 1 8.00 0.01 . 1 . . . . . 108 ARG H . 52482 1 596 . 1 . 1 108 108 ARG HA H 1 4.24 0.01 . 1 . . . . . 108 ARG HA . 52482 1 597 . 1 . 1 108 108 ARG C C 13 177.32 0.04 . 1 . . . . . 108 ARG C . 52482 1 598 . 1 . 1 108 108 ARG CA C 13 57.40 0.07 . 1 . . . . . 108 ARG CA . 52482 1 599 . 1 . 1 108 108 ARG CB C 13 30.45 0.25 . 1 . . . . . 108 ARG CB . 52482 1 600 . 1 . 1 108 108 ARG N N 15 120.80 0.03 . 1 . . . . . 108 ARG N . 52482 1 601 . 1 . 1 109 109 VAL H H 1 8.19 0.01 . 1 . . . . . 109 VAL H . 52482 1 602 . 1 . 1 109 109 VAL HA H 1 3.95 0.01 . 1 . . . . . 109 VAL HA . 52482 1 603 . 1 . 1 109 109 VAL C C 13 176.94 0.04 . 1 . . . . . 109 VAL C . 52482 1 604 . 1 . 1 109 109 VAL CA C 13 63.82 0.07 . 1 . . . . . 109 VAL CA . 52482 1 605 . 1 . 1 109 109 VAL CB C 13 32.50 0.25 . 1 . . . . . 109 VAL CB . 52482 1 606 . 1 . 1 109 109 VAL N N 15 120.91 0.03 . 1 . . . . . 109 VAL N . 52482 1 607 . 1 . 1 110 110 ARG H H 1 8.24 0.01 . 1 . . . . . 110 ARG H . 52482 1 608 . 1 . 1 110 110 ARG HA H 1 4.28 0.01 . 1 . . . . . 110 ARG HA . 52482 1 609 . 1 . 1 110 110 ARG C C 13 177.12 0.04 . 1 . . . . . 110 ARG C . 52482 1 610 . 1 . 1 110 110 ARG CA C 13 56.99 0.07 . 1 . . . . . 110 ARG CA . 52482 1 611 . 1 . 1 110 110 ARG CB C 13 30.61 0.25 . 1 . . . . . 110 ARG CB . 52482 1 612 . 1 . 1 110 110 ARG N N 15 122.99 0.03 . 1 . . . . . 110 ARG N . 52482 1 613 . 1 . 1 111 111 MET H H 1 8.40 0.01 . 1 . . . . . 111 MET H . 52482 1 614 . 1 . 1 111 111 MET HA H 1 4.39 0.01 . 1 . . . . . 111 MET HA . 52482 1 615 . 1 . 1 111 111 MET C C 13 177.18 0.04 . 1 . . . . . 111 MET C . 52482 1 616 . 1 . 1 111 111 MET CA C 13 56.38 0.07 . 1 . . . . . 111 MET CA . 52482 1 617 . 1 . 1 111 111 MET CB C 13 32.77 0.25 . 1 . . . . . 111 MET CB . 52482 1 618 . 1 . 1 111 111 MET N N 15 120.89 0.03 . 1 . . . . . 111 MET N . 52482 1 619 . 1 . 1 112 112 GLU H H 1 8.45 0.01 . 1 . . . . . 112 GLU H . 52482 1 620 . 1 . 1 112 112 GLU HA H 1 4.20 0.01 . 1 . . . . . 112 GLU HA . 52482 1 621 . 1 . 1 112 112 GLU C C 13 177.22 0.04 . 1 . . . . . 112 GLU C . 52482 1 622 . 1 . 1 112 112 GLU CA C 13 57.42 0.07 . 1 . . . . . 112 GLU CA . 52482 1 623 . 1 . 1 112 112 GLU CB C 13 30.03 0.25 . 1 . . . . . 112 GLU CB . 52482 1 624 . 1 . 1 112 112 GLU N N 15 121.02 0.03 . 1 . . . . . 112 GLU N . 52482 1 625 . 1 . 1 113 113 GLU H H 1 8.41 0.01 . 1 . . . . . 113 GLU H . 52482 1 626 . 1 . 1 113 113 GLU HA H 1 4.26 0.01 . 1 . . . . . 113 GLU HA . 52482 1 627 . 1 . 1 113 113 GLU C C 13 176.90 0.04 . 1 . . . . . 113 GLU C . 52482 1 628 . 1 . 1 113 113 GLU CA C 13 56.84 0.07 . 1 . . . . . 113 GLU CA . 52482 1 629 . 1 . 1 113 113 GLU CB C 13 30.25 0.25 . 1 . . . . . 113 GLU CB . 52482 1 630 . 1 . 1 113 113 GLU N N 15 120.34 0.03 . 1 . . . . . 113 GLU N . 52482 1 631 . 1 . 1 114 114 GLU H H 1 8.38 0.01 . 1 . . . . . 114 GLU H . 52482 1 632 . 1 . 1 114 114 GLU HA H 1 4.28 0.01 . 1 . . . . . 114 GLU HA . 52482 1 633 . 1 . 1 114 114 GLU C C 13 177.09 0.04 . 1 . . . . . 114 GLU C . 52482 1 634 . 1 . 1 114 114 GLU CA C 13 56.81 0.07 . 1 . . . . . 114 GLU CA . 52482 1 635 . 1 . 1 114 114 GLU CB C 13 30.39 0.25 . 1 . . . . . 114 GLU CB . 52482 1 636 . 1 . 1 114 114 GLU N N 15 120.93 0.03 . 1 . . . . . 114 GLU N . 52482 1 637 . 1 . 1 115 115 GLY H H 1 8.38 0.01 . 1 . . . . . 115 GLY H . 52482 1 638 . 1 . 1 115 115 GLY HA2 H 1 4.00 0.01 . 1 . . . . . 115 GLY HA2 . 52482 1 639 . 1 . 1 115 115 GLY HA3 H 1 4.00 0.01 . 1 . . . . . 115 GLY HA3 . 52482 1 640 . 1 . 1 115 115 GLY C C 13 174.06 0.04 . 1 . . . . . 115 GLY C . 52482 1 641 . 1 . 1 115 115 GLY CA C 13 45.16 0.07 . 1 . . . . . 115 GLY CA . 52482 1 642 . 1 . 1 115 115 GLY N N 15 109.75 0.03 . 1 . . . . . 115 GLY N . 52482 1 643 . 1 . 1 116 116 GLU H H 1 8.38 0.01 . 1 . . . . . 116 GLU H . 52482 1 644 . 1 . 1 116 116 GLU HA H 1 4.36 0.01 . 1 . . . . . 116 GLU HA . 52482 1 645 . 1 . 1 116 116 GLU C C 13 176.36 0.04 . 1 . . . . . 116 GLU C . 52482 1 646 . 1 . 1 116 116 GLU CA C 13 56.08 0.07 . 1 . . . . . 116 GLU CA . 52482 1 647 . 1 . 1 116 116 GLU CB C 13 30.75 0.25 . 1 . . . . . 116 GLU CB . 52482 1 648 . 1 . 1 116 116 GLU N N 15 120.45 0.03 . 1 . . . . . 116 GLU N . 52482 1 649 . 1 . 1 117 117 ASP H H 1 8.59 0.01 . 1 . . . . . 117 ASP H . 52482 1 650 . 1 . 1 117 117 ASP HA H 1 4.62 0.01 . 1 . . . . . 117 ASP HA . 52482 1 651 . 1 . 1 117 117 ASP C C 13 176.58 0.04 . 1 . . . . . 117 ASP C . 52482 1 652 . 1 . 1 117 117 ASP CA C 13 54.50 0.07 . 1 . . . . . 117 ASP CA . 52482 1 653 . 1 . 1 117 117 ASP CB C 13 41.34 0.25 . 1 . . . . . 117 ASP CB . 52482 1 654 . 1 . 1 117 117 ASP N N 15 121.58 0.03 . 1 . . . . . 117 ASP N . 52482 1 655 . 1 . 1 118 118 GLY H H 1 8.38 0.01 . 1 . . . . . 118 GLY H . 52482 1 656 . 1 . 1 118 118 GLY HA2 H 1 3.97 0.01 . 1 . . . . . 118 GLY HA2 . 52482 1 657 . 1 . 1 118 118 GLY HA3 H 1 3.97 0.01 . 1 . . . . . 118 GLY HA3 . 52482 1 658 . 1 . 1 118 118 GLY C C 13 173.13 0.04 . 1 . . . . . 118 GLY C . 52482 1 659 . 1 . 1 118 118 GLY CA C 13 45.13 0.07 . 1 . . . . . 118 GLY CA . 52482 1 660 . 1 . 1 118 118 GLY N N 15 109.97 0.03 . 1 . . . . . 118 GLY N . 52482 1 661 . 1 . 1 119 119 ASP H H 1 8.07 0.01 . 1 . . . . . 119 ASP H . 52482 1 662 . 1 . 1 119 119 ASP HA H 1 4.42 0.01 . 1 . . . . . 119 ASP HA . 52482 1 663 . 1 . 1 119 119 ASP C C 13 172.22 0.04 . 1 . . . . . 119 ASP C . 52482 1 664 . 1 . 1 119 119 ASP CA C 13 55.77 0.07 . 1 . . . . . 119 ASP CA . 52482 1 665 . 1 . 1 119 119 ASP CB C 13 42.17 0.25 . 1 . . . . . 119 ASP CB . 52482 1 666 . 1 . 1 119 119 ASP N N 15 126.06 0.03 . 1 . . . . . 119 ASP N . 52482 1 stop_ save_