data_51024 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51024 _Entry.Title ; S64V-EmrE, drug free, pH 5.0 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-23 _Entry.Accession_date 2021-07-23 _Entry.Last_release_date 2021-07-23 _Entry.Original_release_date 2021-07-23 _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 . _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 Claudia Cornilescu . . . . 51024 2 Marco Tonelli . . . . 51024 3 Peyton Spreacker . J. . 0000-0002-4096-7158 51024 4 Katherine Henzler-Wildman . A. . . 51024 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 Wisconsin - Madison' . 51024 2 . 'Nuclear Magnetic Resonance Facility at Madison' . 51024 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51024 spectral_peak_list 5 51024 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 631 51024 '15N chemical shifts' 208 51024 '1H chemical shifts' 212 51024 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-12-12 2021-07-23 update BMRB 'update entry citation' 51024 1 . . 2022-06-08 2021-07-23 original author 'original release' 51024 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51025 'S64V-EmrE with harmane, pH 5.6' 51024 BMRB 51026 'S64V-EmrE with TPP, pH 5' 51024 BMRB 51027 'E14Q-EmrE drug free, low pH' 51024 BMRB 51030 'E14Q-EmrE with 16mM TPP, low pH' 51024 BMRB 51031 'E14Q-EmrE with harmane, low pH' 51024 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51024 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36496486 _Citation.DOI 10.1038/s41467-022-35410-2 _Citation.Full_citation . _Citation.Title ; Activating alternative transport modes in a multidrug resistance efflux pump to confer chemical susceptibility ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 13 _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 7655 _Citation.Page_last 7655 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Peyton Spreacker P. J. . . 51024 1 2 Nathan Thomas N. E. . . 51024 1 3 Will Beeninga W. F. . . 51024 1 4 Merissa Brousseau M. . . . 51024 1 5 Colin Porter C. J. . . 51024 1 6 Kylie Hibbs K. M. . . 51024 1 7 Katherine Henzler-Wildman K. A. . . 51024 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID EmrE 51024 1 'NMR spectroscopy' 51024 1 'SMR transporter' 51024 1 'growth curves' 51024 1 harmane 51024 1 'multidrug resistance' 51024 1 susceptibility 51024 1 'transport assay' 51024 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51024 _Assembly.ID 1 _Assembly.Name S64V-EmrE _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 23944.8016 _Assembly.Enzyme_commission_number . _Assembly.Details 'assymetric homodimer' _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 'S64V-EmrE, Chain A' 1 $entity_1 . . yes native no no . . . 51024 1 2 'S64V-EmrE, Chain B' 1 $entity_1 . . yes native no no . . . 51024 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51024 _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 ; MNPYIYLGGAILAEVIGTTL MKFSEGFTRLWPSVGTIICY CASFWLLAQTLAYIPTGIAY AIWVGVGIVLISLLSWGFFG QRLDLPAIIGMMLICAGVLI INLLSRSTPH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation S64V _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11972.4008 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'assymetric homodimer' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'multidrug efflux pump from E. coli' 51024 1 stop_ 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 . 51024 1 2 . ASN . 51024 1 3 . PRO . 51024 1 4 . TYR . 51024 1 5 . ILE . 51024 1 6 . TYR . 51024 1 7 . LEU . 51024 1 8 . GLY . 51024 1 9 . GLY . 51024 1 10 . ALA . 51024 1 11 . ILE . 51024 1 12 . LEU . 51024 1 13 . ALA . 51024 1 14 . GLU . 51024 1 15 . VAL . 51024 1 16 . ILE . 51024 1 17 . GLY . 51024 1 18 . THR . 51024 1 19 . THR . 51024 1 20 . LEU . 51024 1 21 . MET . 51024 1 22 . LYS . 51024 1 23 . PHE . 51024 1 24 . SER . 51024 1 25 . GLU . 51024 1 26 . GLY . 51024 1 27 . PHE . 51024 1 28 . THR . 51024 1 29 . ARG . 51024 1 30 . LEU . 51024 1 31 . TRP . 51024 1 32 . PRO . 51024 1 33 . SER . 51024 1 34 . VAL . 51024 1 35 . GLY . 51024 1 36 . THR . 51024 1 37 . ILE . 51024 1 38 . ILE . 51024 1 39 . CYS . 51024 1 40 . TYR . 51024 1 41 . CYS . 51024 1 42 . ALA . 51024 1 43 . SER . 51024 1 44 . PHE . 51024 1 45 . TRP . 51024 1 46 . LEU . 51024 1 47 . LEU . 51024 1 48 . ALA . 51024 1 49 . GLN . 51024 1 50 . THR . 51024 1 51 . LEU . 51024 1 52 . ALA . 51024 1 53 . TYR . 51024 1 54 . ILE . 51024 1 55 . PRO . 51024 1 56 . THR . 51024 1 57 . GLY . 51024 1 58 . ILE . 51024 1 59 . ALA . 51024 1 60 . TYR . 51024 1 61 . ALA . 51024 1 62 . ILE . 51024 1 63 . TRP . 51024 1 64 . VAL . 51024 1 65 . GLY . 51024 1 66 . VAL . 51024 1 67 . GLY . 51024 1 68 . ILE . 51024 1 69 . VAL . 51024 1 70 . LEU . 51024 1 71 . ILE . 51024 1 72 . SER . 51024 1 73 . LEU . 51024 1 74 . LEU . 51024 1 75 . SER . 51024 1 76 . TRP . 51024 1 77 . GLY . 51024 1 78 . PHE . 51024 1 79 . PHE . 51024 1 80 . GLY . 51024 1 81 . GLN . 51024 1 82 . ARG . 51024 1 83 . LEU . 51024 1 84 . ASP . 51024 1 85 . LEU . 51024 1 86 . PRO . 51024 1 87 . ALA . 51024 1 88 . ILE . 51024 1 89 . ILE . 51024 1 90 . GLY . 51024 1 91 . MET . 51024 1 92 . MET . 51024 1 93 . LEU . 51024 1 94 . ILE . 51024 1 95 . CYS . 51024 1 96 . ALA . 51024 1 97 . GLY . 51024 1 98 . VAL . 51024 1 99 . LEU . 51024 1 100 . ILE . 51024 1 101 . ILE . 51024 1 102 . ASN . 51024 1 103 . LEU . 51024 1 104 . LEU . 51024 1 105 . SER . 51024 1 106 . ARG . 51024 1 107 . SER . 51024 1 108 . THR . 51024 1 109 . PRO . 51024 1 110 . HIS . 51024 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 51024 1 . ASN 2 2 51024 1 . PRO 3 3 51024 1 . TYR 4 4 51024 1 . ILE 5 5 51024 1 . TYR 6 6 51024 1 . LEU 7 7 51024 1 . GLY 8 8 51024 1 . GLY 9 9 51024 1 . ALA 10 10 51024 1 . ILE 11 11 51024 1 . LEU 12 12 51024 1 . ALA 13 13 51024 1 . GLU 14 14 51024 1 . VAL 15 15 51024 1 . ILE 16 16 51024 1 . GLY 17 17 51024 1 . THR 18 18 51024 1 . THR 19 19 51024 1 . LEU 20 20 51024 1 . MET 21 21 51024 1 . LYS 22 22 51024 1 . PHE 23 23 51024 1 . SER 24 24 51024 1 . GLU 25 25 51024 1 . GLY 26 26 51024 1 . PHE 27 27 51024 1 . THR 28 28 51024 1 . ARG 29 29 51024 1 . LEU 30 30 51024 1 . TRP 31 31 51024 1 . PRO 32 32 51024 1 . SER 33 33 51024 1 . VAL 34 34 51024 1 . GLY 35 35 51024 1 . THR 36 36 51024 1 . ILE 37 37 51024 1 . ILE 38 38 51024 1 . CYS 39 39 51024 1 . TYR 40 40 51024 1 . CYS 41 41 51024 1 . ALA 42 42 51024 1 . SER 43 43 51024 1 . PHE 44 44 51024 1 . TRP 45 45 51024 1 . LEU 46 46 51024 1 . LEU 47 47 51024 1 . ALA 48 48 51024 1 . GLN 49 49 51024 1 . THR 50 50 51024 1 . LEU 51 51 51024 1 . ALA 52 52 51024 1 . TYR 53 53 51024 1 . ILE 54 54 51024 1 . PRO 55 55 51024 1 . THR 56 56 51024 1 . GLY 57 57 51024 1 . ILE 58 58 51024 1 . ALA 59 59 51024 1 . TYR 60 60 51024 1 . ALA 61 61 51024 1 . ILE 62 62 51024 1 . TRP 63 63 51024 1 . VAL 64 64 51024 1 . GLY 65 65 51024 1 . VAL 66 66 51024 1 . GLY 67 67 51024 1 . ILE 68 68 51024 1 . VAL 69 69 51024 1 . LEU 70 70 51024 1 . ILE 71 71 51024 1 . SER 72 72 51024 1 . LEU 73 73 51024 1 . LEU 74 74 51024 1 . SER 75 75 51024 1 . TRP 76 76 51024 1 . GLY 77 77 51024 1 . PHE 78 78 51024 1 . PHE 79 79 51024 1 . GLY 80 80 51024 1 . GLN 81 81 51024 1 . ARG 82 82 51024 1 . LEU 83 83 51024 1 . ASP 84 84 51024 1 . LEU 85 85 51024 1 . PRO 86 86 51024 1 . ALA 87 87 51024 1 . ILE 88 88 51024 1 . ILE 89 89 51024 1 . GLY 90 90 51024 1 . MET 91 91 51024 1 . MET 92 92 51024 1 . LEU 93 93 51024 1 . ILE 94 94 51024 1 . CYS 95 95 51024 1 . ALA 96 96 51024 1 . GLY 97 97 51024 1 . VAL 98 98 51024 1 . LEU 99 99 51024 1 . ILE 100 100 51024 1 . ILE 101 101 51024 1 . ASN 102 102 51024 1 . LEU 103 103 51024 1 . LEU 104 104 51024 1 . SER 105 105 51024 1 . ARG 106 106 51024 1 . SER 107 107 51024 1 . THR 108 108 51024 1 . PRO 109 109 51024 1 . HIS 110 110 51024 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 51024 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . EmrE . 51024 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 51024 _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 'E. coli' 'BL21 Gold (DE3)' . plasmid . . pET15b . . . 51024 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51024 _Sample.ID 1 _Sample.Name 'S64V-EmrE drug free' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.5, 45C' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 S64V-EmrE '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 0.75 0.5 1 mM . . . . 51024 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 51024 1 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 51024 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 51024 1 5 MES 'natural abundance' . . . . . . 100 . . mM . . . . 51024 1 6 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 51024 1 7 DSS 'natural abundance' . . . . . . 1 . . % . . . . 51024 1 8 DHPC 'natural abundance' . . . . . . 240 . . mM . . . . 51024 1 9 DMPC 'natural abundance' . . . . . . 80 . . mM . . . . 51024 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 51024 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'S64V-EmrE drug free' _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' 0.02 . M 51024 1 pH 6.5 . pH 51024 1 pressure 1 . atm 51024 1 temperature 318.00 . K 51024 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51024 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51024 1 'spectrum analysis' . 51024 1 'spectrum display' . 51024 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51024 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version any _Software.DOI . _Software.Details 'NMRPipe spectral processing and analysis tools' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'spectrum processing' . 51024 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51024 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Telemark _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 51024 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51024 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51024 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51024 1 4 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51024 1 5 '3D HNCOCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51024 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 51024 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 1 . . . . . 51024 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 51024 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCA' . . . 51024 1 3 '3D HNCO' . . . 51024 1 4 '3D HNCACO' . . . 51024 1 5 '3D HNCOCA' . . . 51024 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51024 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 MET C C 13 174.8504765 0 . . . . . . . 1 MET C . 51024 1 2 . 1 . 1 1 1 MET CA C 13 54.72824697 0.006881602719 . . . . . . . 1 MET CA . 51024 1 3 . 1 . 1 1 1 MET CB C 13 32.65313407 0.06339898259 . . . . . . . 1 MET CB . 51024 1 4 . 1 . 1 2 2 ASN H H 1 8.367495989 0.00308616268 . . . . . . . 2 ASN H . 51024 1 5 . 1 . 1 2 2 ASN C C 13 174.9337058 0 . . . . . . . 2 ASN C . 51024 1 6 . 1 . 1 2 2 ASN CA C 13 51.21884391 0 . . . . . . . 2 ASN CA . 51024 1 7 . 1 . 1 2 2 ASN CB C 13 38.43074363 0 . . . . . . . 2 ASN CB . 51024 1 8 . 1 . 1 2 2 ASN N N 15 122.4987679 0.09369515979 . . . . . . . 2 ASN N . 51024 1 9 . 1 . 1 3 3 PRO C C 13 177.6998249 0 . . . . . . . 3 PRO C . 51024 1 10 . 1 . 1 3 3 PRO CA C 13 64.42063468 0.02713858199 . . . . . . . 3 PRO CA . 51024 1 11 . 1 . 1 3 3 PRO CB C 13 30.89450011 0.1305220884 . . . . . . . 3 PRO CB . 51024 1 12 . 1 . 1 4 4 TYR H H 1 8.018748552 0.007944647766 . . . . . . . 4 TYR H . 51024 1 13 . 1 . 1 4 4 TYR C C 13 178.3554182 0.009221002942 . . . . . . . 4 TYR C . 51024 1 14 . 1 . 1 4 4 TYR CA C 13 60.98403529 0.03659911794 . . . . . . . 4 TYR CA . 51024 1 15 . 1 . 1 4 4 TYR CB C 13 36.2837049 0.004973909951 . . . . . . . 4 TYR CB . 51024 1 16 . 1 . 1 4 4 TYR N N 15 116.2478181 0.06544501384 . . . . . . . 4 TYR N . 51024 1 17 . 1 . 1 5 5 ILE H H 1 7.773887735 0.003723260779 . . . . . . . 5 ILE H . 51024 1 18 . 1 . 1 5 5 ILE C C 13 178.2342504 0.02084910864 . . . . . . . 5 ILE C . 51024 1 19 . 1 . 1 5 5 ILE CA C 13 64.27107719 0.0444211992 . . . . . . . 5 ILE CA . 51024 1 20 . 1 . 1 5 5 ILE CB C 13 36.08602889 0.06680518134 . . . . . . . 5 ILE CB . 51024 1 21 . 1 . 1 5 5 ILE N N 15 120.4284566 0.07652745746 . . . . . . . 5 ILE N . 51024 1 22 . 1 . 1 6 6 TYR H H 1 7.139149176 0.01673779015 . . . . . . . 6 TYR H . 51024 1 23 . 1 . 1 6 6 TYR C C 13 178.1892347 0.001258182349 . . . . . . . 6 TYR C . 51024 1 24 . 1 . 1 6 6 TYR CA C 13 61.01360166 0.02869692801 . . . . . . . 6 TYR CA . 51024 1 25 . 1 . 1 6 6 TYR CB C 13 36.59445856 0.03680760495 . . . . . . . 6 TYR CB . 51024 1 26 . 1 . 1 6 6 TYR N N 15 119.112501 0.02169810338 . . . . . . . 6 TYR N . 51024 1 27 . 1 . 1 7 7 LEU H H 1 7.881373072 0.009586679037 . . . . . . . 7 LEU H . 51024 1 28 . 1 . 1 7 7 LEU C C 13 178.9930209 0.006368498845 . . . . . . . 7 LEU C . 51024 1 29 . 1 . 1 7 7 LEU CA C 13 57.39646579 0.02671655267 . . . . . . . 7 LEU CA . 51024 1 30 . 1 . 1 7 7 LEU CB C 13 40.7671481 0.04842044751 . . . . . . . 7 LEU CB . 51024 1 31 . 1 . 1 7 7 LEU N N 15 119.9481715 0.07839162851 . . . . . . . 7 LEU N . 51024 1 32 . 1 . 1 8 8 GLY H H 1 8.694327708 0.006772448284 . . . . . . . 8 GLY H . 51024 1 33 . 1 . 1 8 8 GLY C C 13 175.7254327 0.00246559469 . . . . . . . 8 GLY C . 51024 1 34 . 1 . 1 8 8 GLY CA C 13 47.21377799 0.03416534489 . . . . . . . 8 GLY CA . 51024 1 35 . 1 . 1 8 8 GLY N N 15 106.6055207 0.0622632131 . . . . . . . 8 GLY N . 51024 1 36 . 1 . 1 9 9 GLY H H 1 8.793628168 0.007986901442 . . . . . . . 9 GLY H . 51024 1 37 . 1 . 1 9 9 GLY C C 13 174.4529066 0.005349285653 . . . . . . . 9 GLY C . 51024 1 38 . 1 . 1 9 9 GLY CA C 13 47.40913956 0.04718702167 . . . . . . . 9 GLY CA . 51024 1 39 . 1 . 1 9 9 GLY N N 15 109.6415575 0.06177156809 . . . . . . . 9 GLY N . 51024 1 40 . 1 . 1 10 10 ALA H H 1 8.924867894 0.005689840616 . . . . . . . 10 ALA H . 51024 1 41 . 1 . 1 10 10 ALA C C 13 182.2467608 0.008929278241 . . . . . . . 10 ALA C . 51024 1 42 . 1 . 1 10 10 ALA CA C 13 55.37115781 0.02128821621 . . . . . . . 10 ALA CA . 51024 1 43 . 1 . 1 10 10 ALA CB C 13 17.64853468 0.07262563621 . . . . . . . 10 ALA CB . 51024 1 44 . 1 . 1 10 10 ALA N N 15 124.9842791 0.05487278602 . . . . . . . 10 ALA N . 51024 1 45 . 1 . 1 11 11 ILE H H 1 8.630586444 0.0058622622 . . . . . . . 11 ILE H . 51024 1 46 . 1 . 1 11 11 ILE C C 13 177.4137618 0.02507175338 . . . . . . . 11 ILE C . 51024 1 47 . 1 . 1 11 11 ILE CA C 13 64.45873071 0.01819603071 . . . . . . . 11 ILE CA . 51024 1 48 . 1 . 1 11 11 ILE CB C 13 37.56537728 0.0007957843602 . . . . . . . 11 ILE CB . 51024 1 49 . 1 . 1 11 11 ILE N N 15 122.206125 0.07345577289 . . . . . . . 11 ILE N . 51024 1 50 . 1 . 1 12 12 LEU H H 1 8.420953554 0.009810353188 . . . . . . . 12 LEU H . 51024 1 51 . 1 . 1 12 12 LEU C C 13 178.3983008 0.005674230109 . . . . . . . 12 LEU C . 51024 1 52 . 1 . 1 12 12 LEU CA C 13 58.19439498 0.02670237829 . . . . . . . 12 LEU CA . 51024 1 53 . 1 . 1 12 12 LEU CB C 13 40.52085919 0.07950063249 . . . . . . . 12 LEU CB . 51024 1 54 . 1 . 1 12 12 LEU N N 15 121.097251 0.06367234048 . . . . . . . 12 LEU N . 51024 1 55 . 1 . 1 13 13 ALA H H 1 8.55278388 0.01047295297 . . . . . . . 13 ALA H . 51024 1 56 . 1 . 1 13 13 ALA C C 13 178.889986 0.003419245222 . . . . . . . 13 ALA C . 51024 1 57 . 1 . 1 13 13 ALA CA C 13 55.46531882 0.0291510348 . . . . . . . 13 ALA CA . 51024 1 58 . 1 . 1 13 13 ALA CB C 13 16.45442468 0.07087015478 . . . . . . . 13 ALA CB . 51024 1 59 . 1 . 1 13 13 ALA N N 15 119.7321554 0.0419029687 . . . . . . . 13 ALA N . 51024 1 60 . 1 . 1 14 14 GLU H H 1 7.899856296 0.006367743656 . . . . . . . 14 GLU H . 51024 1 61 . 1 . 1 14 14 GLU C C 13 178.444324 0.002357161911 . . . . . . . 14 GLU C . 51024 1 62 . 1 . 1 14 14 GLU CA C 13 58.5374399 0.01781684785 . . . . . . . 14 GLU CA . 51024 1 63 . 1 . 1 14 14 GLU CB C 13 27.22464407 0.09599035319 . . . . . . . 14 GLU CB . 51024 1 64 . 1 . 1 14 14 GLU N N 15 120.0376768 0.058650815 . . . . . . . 14 GLU N . 51024 1 65 . 1 . 1 15 15 VAL H H 1 8.500362533 0.005503037811 . . . . . . . 15 VAL H . 51024 1 66 . 1 . 1 15 15 VAL C C 13 178.6514414 0.04416160305 . . . . . . . 15 VAL C . 51024 1 67 . 1 . 1 15 15 VAL CA C 13 65.22398991 0.03577400953 . . . . . . . 15 VAL CA . 51024 1 68 . 1 . 1 15 15 VAL CB C 13 30.80773494 0.05785277426 . . . . . . . 15 VAL CB . 51024 1 69 . 1 . 1 15 15 VAL N N 15 121.6206817 0.07143797963 . . . . . . . 15 VAL N . 51024 1 70 . 1 . 1 16 16 ILE H H 1 8.728519795 0.008194813511 . . . . . . . 16 ILE H . 51024 1 71 . 1 . 1 16 16 ILE C C 13 177.9502707 0.01491501264 . . . . . . . 16 ILE C . 51024 1 72 . 1 . 1 16 16 ILE CA C 13 64.3782764 0.0213627398 . . . . . . . 16 ILE CA . 51024 1 73 . 1 . 1 16 16 ILE CB C 13 35.94102486 0.05853789146 . . . . . . . 16 ILE CB . 51024 1 74 . 1 . 1 16 16 ILE N N 15 122.2685046 0.06236509555 . . . . . . . 16 ILE N . 51024 1 75 . 1 . 1 17 17 GLY H H 1 8.52519665 0.009399847498 . . . . . . . 17 GLY H . 51024 1 76 . 1 . 1 17 17 GLY C C 13 174.1534355 0.004546199376 . . . . . . . 17 GLY C . 51024 1 77 . 1 . 1 17 17 GLY CA C 13 47.41437807 0.0222186635 . . . . . . . 17 GLY CA . 51024 1 78 . 1 . 1 17 17 GLY N N 15 108.174095 0.05419770499 . . . . . . . 17 GLY N . 51024 1 79 . 1 . 1 18 18 THR H H 1 7.571541545 0.01522597714 . . . . . . . 18 THR H . 51024 1 80 . 1 . 1 18 18 THR C C 13 174.9032153 0 . . . . . . . 18 THR C . 51024 1 81 . 1 . 1 18 18 THR CA C 13 66.06234421 0.02712347868 . . . . . . . 18 THR CA . 51024 1 82 . 1 . 1 18 18 THR CB C 13 67.79706774 0.02258285953 . . . . . . . 18 THR CB . 51024 1 83 . 1 . 1 18 18 THR N N 15 116.6597709 0.04340260808 . . . . . . . 18 THR N . 51024 1 84 . 1 . 1 19 19 THR H H 1 7.50515196 0.009774403722 . . . . . . . 19 THR H . 51024 1 85 . 1 . 1 19 19 THR C C 13 177.0564358 0 . . . . . . . 19 THR C . 51024 1 86 . 1 . 1 19 19 THR CA C 13 66.99064059 0.04552208632 . . . . . . . 19 THR CA . 51024 1 87 . 1 . 1 19 19 THR CB C 13 67.80439846 0.03955146543 . . . . . . . 19 THR CB . 51024 1 88 . 1 . 1 19 19 THR N N 15 117.3191069 0.03292107773 . . . . . . . 19 THR N . 51024 1 89 . 1 . 1 20 20 LEU H H 1 8.528845737 0.00783233798 . . . . . . . 20 LEU H . 51024 1 90 . 1 . 1 20 20 LEU C C 13 178.4759925 0.0009820919404 . . . . . . . 20 LEU C . 51024 1 91 . 1 . 1 20 20 LEU CA C 13 57.68305776 0.02825419644 . . . . . . . 20 LEU CA . 51024 1 92 . 1 . 1 20 20 LEU CB C 13 39.96471338 0.04277160493 . . . . . . . 20 LEU CB . 51024 1 93 . 1 . 1 20 20 LEU N N 15 121.6553858 0.05078804064 . . . . . . . 20 LEU N . 51024 1 94 . 1 . 1 21 21 MET H H 1 8.04792077 0.007813645715 . . . . . . . 21 MET H . 51024 1 95 . 1 . 1 21 21 MET C C 13 181.5751511 0.01639760277 . . . . . . . 21 MET C . 51024 1 96 . 1 . 1 21 21 MET CA C 13 59.33612793 0.03223468583 . . . . . . . 21 MET CA . 51024 1 97 . 1 . 1 21 21 MET CB C 13 32.02335726 0.06879428954 . . . . . . . 21 MET CB . 51024 1 98 . 1 . 1 21 21 MET N N 15 121.4814101 0.06036416202 . . . . . . . 21 MET N . 51024 1 99 . 1 . 1 22 22 LYS H H 1 7.569170315 0.0111680486 . . . . . . . 22 LYS H . 51024 1 100 . 1 . 1 22 22 LYS C C 13 178.2073136 0.01281019517 . . . . . . . 22 LYS C . 51024 1 101 . 1 . 1 22 22 LYS CA C 13 59.51752984 0.007887962117 . . . . . . . 22 LYS CA . 51024 1 102 . 1 . 1 22 22 LYS CB C 13 30.0177839 0.07856699321 . . . . . . . 22 LYS CB . 51024 1 103 . 1 . 1 22 22 LYS N N 15 124.8321389 0.06143167354 . . . . . . . 22 LYS N . 51024 1 104 . 1 . 1 23 23 PHE H H 1 7.478018724 0.009898154006 . . . . . . . 23 PHE H . 51024 1 105 . 1 . 1 23 23 PHE C C 13 176.0592309 0.004879193157 . . . . . . . 23 PHE C . 51024 1 106 . 1 . 1 23 23 PHE CA C 13 59.82013494 0.009667389372 . . . . . . . 23 PHE CA . 51024 1 107 . 1 . 1 23 23 PHE CB C 13 38.47376868 0.0727840666 . . . . . . . 23 PHE CB . 51024 1 108 . 1 . 1 23 23 PHE N N 15 119.017525 0.06465102348 . . . . . . . 23 PHE N . 51024 1 109 . 1 . 1 24 24 SER H H 1 7.974483505 0.006648033551 . . . . . . . 24 SER H . 51024 1 110 . 1 . 1 24 24 SER C C 13 173.5720903 0 . . . . . . . 24 SER C . 51024 1 111 . 1 . 1 24 24 SER CA C 13 60.53042497 0.03227631753 . . . . . . . 24 SER CA . 51024 1 112 . 1 . 1 24 24 SER CB C 13 63.38613046 0.07861327678 . . . . . . . 24 SER CB . 51024 1 113 . 1 . 1 24 24 SER N N 15 113.6803656 0.06525506867 . . . . . . . 24 SER N . 51024 1 114 . 1 . 1 25 25 GLU H H 1 7.72126815 0.009433935192 . . . . . . . 25 GLU H . 51024 1 115 . 1 . 1 25 25 GLU C C 13 177.9364154 0.01009793563 . . . . . . . 25 GLU C . 51024 1 116 . 1 . 1 25 25 GLU CA C 13 55.96056166 0.04446307503 . . . . . . . 25 GLU CA . 51024 1 117 . 1 . 1 25 25 GLU CB C 13 25.91447666 0.06365805169 . . . . . . . 25 GLU CB . 51024 1 118 . 1 . 1 25 25 GLU N N 15 121.2650592 0.04610771327 . . . . . . . 25 GLU N . 51024 1 119 . 1 . 1 26 26 GLY H H 1 9.417784021 0.003295267921 . . . . . . . 26 GLY H . 51024 1 120 . 1 . 1 26 26 GLY C C 13 174.8899117 0.02232841919 . . . . . . . 26 GLY C . 51024 1 121 . 1 . 1 26 26 GLY CA C 13 46.01301702 0.05685012658 . . . . . . . 26 GLY CA . 51024 1 122 . 1 . 1 26 26 GLY N N 15 112.0690776 0.06646916515 . . . . . . . 26 GLY N . 51024 1 123 . 1 . 1 27 27 PHE H H 1 7.932322117 0.0120504198 . . . . . . . 27 PHE H . 51024 1 124 . 1 . 1 27 27 PHE C C 13 173.8375759 0.0187925564 . . . . . . . 27 PHE C . 51024 1 125 . 1 . 1 27 27 PHE CA C 13 59.53631963 0.01192975073 . . . . . . . 27 PHE CA . 51024 1 126 . 1 . 1 27 27 PHE CB C 13 35.71126075 0.007621013851 . . . . . . . 27 PHE CB . 51024 1 127 . 1 . 1 27 27 PHE N N 15 113.8838587 0.05616059241 . . . . . . . 27 PHE N . 51024 1 128 . 1 . 1 28 28 THR H H 1 7.563642842 0.01555735148 . . . . . . . 28 THR H . 51024 1 129 . 1 . 1 28 28 THR C C 13 175.1168634 0.07975298831 . . . . . . . 28 THR C . 51024 1 130 . 1 . 1 28 28 THR CA C 13 62.01481292 0.02801270419 . . . . . . . 28 THR CA . 51024 1 131 . 1 . 1 28 28 THR CB C 13 70.36618609 0 . . . . . . . 28 THR CB . 51024 1 132 . 1 . 1 28 28 THR N N 15 102.3187521 0.06290681023 . . . . . . . 28 THR N . 51024 1 133 . 1 . 1 29 29 ARG H H 1 7.36761636 0.01026590199 . . . . . . . 29 ARG H . 51024 1 134 . 1 . 1 29 29 ARG C C 13 178.1808696 0.003793675675 . . . . . . . 29 ARG C . 51024 1 135 . 1 . 1 29 29 ARG CA C 13 54.04281711 0.01715722483 . . . . . . . 29 ARG CA . 51024 1 136 . 1 . 1 29 29 ARG CB C 13 30.37792206 0.01775955117 . . . . . . . 29 ARG CB . 51024 1 137 . 1 . 1 29 29 ARG N N 15 119.844405 0.06950117001 . . . . . . . 29 ARG N . 51024 1 138 . 1 . 1 30 30 LEU H H 1 9.095634904 0.005286332851 . . . . . . . 30 LEU H . 51024 1 139 . 1 . 1 30 30 LEU C C 13 177.4231643 0 . . . . . . . 30 LEU C . 51024 1 140 . 1 . 1 30 30 LEU CA C 13 59.95406803 0.02975525023 . . . . . . . 30 LEU CA . 51024 1 141 . 1 . 1 30 30 LEU CB C 13 41.00870711 0.05879553894 . . . . . . . 30 LEU CB . 51024 1 142 . 1 . 1 30 30 LEU N N 15 131.3761538 0.07275571599 . . . . . . . 30 LEU N . 51024 1 143 . 1 . 1 31 31 TRP H H 1 9.346953897 0.003157565463 . . . . . . . 31 TRP H . 51024 1 144 . 1 . 1 31 31 TRP C C 13 177.394854 0 . . . . . . . 31 TRP C . 51024 1 145 . 1 . 1 31 31 TRP CA C 13 61.6670271 0 . . . . . . . 31 TRP CA . 51024 1 146 . 1 . 1 31 31 TRP CB C 13 26.19974813 0 . . . . . . . 31 TRP CB . 51024 1 147 . 1 . 1 31 31 TRP N N 15 119.299831 0.06226251684 . . . . . . . 31 TRP N . 51024 1 148 . 1 . 1 32 32 PRO C C 13 179.4796194 0 . . . . . . . 32 PRO C . 51024 1 149 . 1 . 1 32 32 PRO CA C 13 65.20947352 0.03524183662 . . . . . . . 32 PRO CA . 51024 1 150 . 1 . 1 32 32 PRO CB C 13 30.3971876 0.01388089767 . . . . . . . 32 PRO CB . 51024 1 151 . 1 . 1 33 33 SER H H 1 7.448680975 0.005402578565 . . . . . . . 33 SER H . 51024 1 152 . 1 . 1 33 33 SER HA H 1 4.825556199 0 . . . . . . . 33 SER HA . 51024 1 153 . 1 . 1 33 33 SER C C 13 175.0664798 0 . . . . . . . 33 SER C . 51024 1 154 . 1 . 1 33 33 SER CA C 13 63.81518311 0.0284327068 . . . . . . . 33 SER CA . 51024 1 155 . 1 . 1 33 33 SER CB C 13 61.79253321 0.03459391879 . . . . . . . 33 SER CB . 51024 1 156 . 1 . 1 33 33 SER N N 15 116.2520316 0.07287439328 . . . . . . . 33 SER N . 51024 1 157 . 1 . 1 34 34 VAL H H 1 8.391949348 0.005848898202 . . . . . . . 34 VAL H . 51024 1 158 . 1 . 1 34 34 VAL C C 13 178.4737041 0.01457635222 . . . . . . . 34 VAL C . 51024 1 159 . 1 . 1 34 34 VAL CA C 13 66.52555786 0.02698466828 . . . . . . . 34 VAL CA . 51024 1 160 . 1 . 1 34 34 VAL CB C 13 30.81378669 0.03060264724 . . . . . . . 34 VAL CB . 51024 1 161 . 1 . 1 34 34 VAL N N 15 122.087952 0.0471288854 . . . . . . . 34 VAL N . 51024 1 162 . 1 . 1 35 35 GLY H H 1 8.84262579 0.007465844644 . . . . . . . 35 GLY H . 51024 1 163 . 1 . 1 35 35 GLY C C 13 174.5876049 0.004052824122 . . . . . . . 35 GLY C . 51024 1 164 . 1 . 1 35 35 GLY CA C 13 47.70978034 0.08405228461 . . . . . . . 35 GLY CA . 51024 1 165 . 1 . 1 35 35 GLY N N 15 105.0349213 0.03064924791 . . . . . . . 35 GLY N . 51024 1 166 . 1 . 1 36 36 THR H H 1 8.228633096 0.009901450897 . . . . . . . 36 THR H . 51024 1 167 . 1 . 1 36 36 THR C C 13 175.1539361 0 . . . . . . . 36 THR C . 51024 1 168 . 1 . 1 36 36 THR CA C 13 68.4128455 0.001196615794 . . . . . . . 36 THR CA . 51024 1 169 . 1 . 1 36 36 THR N N 15 121.1748043 0.08431028133 . . . . . . . 36 THR N . 51024 1 170 . 1 . 1 37 37 ILE H H 1 7.46816571 0.00403939277 . . . . . . . 37 ILE H . 51024 1 171 . 1 . 1 37 37 ILE C C 13 178.2091734 0.01773941867 . . . . . . . 37 ILE C . 51024 1 172 . 1 . 1 37 37 ILE CA C 13 65.11871555 0.02503850694 . . . . . . . 37 ILE CA . 51024 1 173 . 1 . 1 37 37 ILE CB C 13 37.45287494 0.003915846347 . . . . . . . 37 ILE CB . 51024 1 174 . 1 . 1 37 37 ILE N N 15 119.4534055 0.08538182064 . . . . . . . 37 ILE N . 51024 1 175 . 1 . 1 38 38 ILE H H 1 8.310090436 0.0108503781 . . . . . . . 38 ILE H . 51024 1 176 . 1 . 1 38 38 ILE C C 13 177.663069 0.0001758281658 . . . . . . . 38 ILE C . 51024 1 177 . 1 . 1 38 38 ILE CA C 13 65.40726338 0.01625490135 . . . . . . . 38 ILE CA . 51024 1 178 . 1 . 1 38 38 ILE CB C 13 36.866068 0.04842287947 . . . . . . . 38 ILE CB . 51024 1 179 . 1 . 1 38 38 ILE N N 15 118.6073043 0.05176635311 . . . . . . . 38 ILE N . 51024 1 180 . 1 . 1 39 39 CYS H H 1 8.237841607 0.009797622706 . . . . . . . 39 CYS H . 51024 1 181 . 1 . 1 39 39 CYS C C 13 177.6160332 0.05391581226 . . . . . . . 39 CYS C . 51024 1 182 . 1 . 1 39 39 CYS CA C 13 65.36111825 0.03416604053 . . . . . . . 39 CYS CA . 51024 1 183 . 1 . 1 39 39 CYS CB C 13 25.93834975 0.03724028382 . . . . . . . 39 CYS CB . 51024 1 184 . 1 . 1 39 39 CYS N N 15 116.1921235 0.02883940875 . . . . . . . 39 CYS N . 51024 1 185 . 1 . 1 40 40 TYR H H 1 8.452899119 0.006364348212 . . . . . . . 40 TYR H . 51024 1 186 . 1 . 1 40 40 TYR C C 13 178.3355662 0.001144561757 . . . . . . . 40 TYR C . 51024 1 187 . 1 . 1 40 40 TYR CA C 13 60.85471998 0.02991508197 . . . . . . . 40 TYR CA . 51024 1 188 . 1 . 1 40 40 TYR CB C 13 35.99173941 0.09893353433 . . . . . . . 40 TYR CB . 51024 1 189 . 1 . 1 40 40 TYR N N 15 118.9946561 0.06919450382 . . . . . . . 40 TYR N . 51024 1 190 . 1 . 1 41 41 CYS H H 1 8.416195787 0.01030642396 . . . . . . . 41 CYS H . 51024 1 191 . 1 . 1 41 41 CYS C C 13 176.5029783 0.000955815772 . . . . . . . 41 CYS C . 51024 1 192 . 1 . 1 41 41 CYS CA C 13 64.99934666 0.03209861667 . . . . . . . 41 CYS CA . 51024 1 193 . 1 . 1 41 41 CYS CB C 13 26.18882274 0.06809242549 . . . . . . . 41 CYS CB . 51024 1 194 . 1 . 1 41 41 CYS N N 15 117.3263321 0.06971036153 . . . . . . . 41 CYS N . 51024 1 195 . 1 . 1 42 42 ALA H H 1 8.372702463 0.009264619537 . . . . . . . 42 ALA H . 51024 1 196 . 1 . 1 42 42 ALA C C 13 178.5962682 0.0317186929 . . . . . . . 42 ALA C . 51024 1 197 . 1 . 1 42 42 ALA CA C 13 54.93904888 0.03125425588 . . . . . . . 42 ALA CA . 51024 1 198 . 1 . 1 42 42 ALA CB C 13 16.75407726 0.05382207884 . . . . . . . 42 ALA CB . 51024 1 199 . 1 . 1 42 42 ALA N N 15 119.3499315 0.04900536743 . . . . . . . 42 ALA N . 51024 1 200 . 1 . 1 43 43 SER H H 1 8.546251477 0.006754915231 . . . . . . . 43 SER H . 51024 1 201 . 1 . 1 43 43 SER C C 13 176.5274024 0 . . . . . . . 43 SER C . 51024 1 202 . 1 . 1 43 43 SER CA C 13 62.98016974 0.03212677892 . . . . . . . 43 SER CA . 51024 1 203 . 1 . 1 43 43 SER CB C 13 63.90468339 0.01143219323 . . . . . . . 43 SER CB . 51024 1 204 . 1 . 1 43 43 SER N N 15 112.5063796 0.05050653387 . . . . . . . 43 SER N . 51024 1 205 . 1 . 1 44 44 PHE H H 1 8.182555891 0.00869390477 . . . . . . . 44 PHE H . 51024 1 206 . 1 . 1 44 44 PHE C C 13 177.5344823 0.0004111165983 . . . . . . . 44 PHE C . 51024 1 207 . 1 . 1 44 44 PHE CA C 13 60.01782061 0.03071179769 . . . . . . . 44 PHE CA . 51024 1 208 . 1 . 1 44 44 PHE CB C 13 37.77721949 0.07423656105 . . . . . . . 44 PHE CB . 51024 1 209 . 1 . 1 44 44 PHE N N 15 116.4607228 0.04857105013 . . . . . . . 44 PHE N . 51024 1 210 . 1 . 1 45 45 TRP H H 1 8.364217917 0.007418241213 . . . . . . . 45 TRP H . 51024 1 211 . 1 . 1 45 45 TRP C C 13 178.3591208 0.02054255741 . . . . . . . 45 TRP C . 51024 1 212 . 1 . 1 45 45 TRP CA C 13 62.20206652 0.01957913729 . . . . . . . 45 TRP CA . 51024 1 213 . 1 . 1 45 45 TRP CB C 13 28.51015434 0.1018671315 . . . . . . . 45 TRP CB . 51024 1 214 . 1 . 1 45 45 TRP N N 15 120.8254869 0.05028875317 . . . . . . . 45 TRP N . 51024 1 215 . 1 . 1 46 46 LEU H H 1 8.814938551 0.008131150779 . . . . . . . 46 LEU H . 51024 1 216 . 1 . 1 46 46 LEU C C 13 179.4183293 0.006550344515 . . . . . . . 46 LEU C . 51024 1 217 . 1 . 1 46 46 LEU CA C 13 57.89961193 0.02736347286 . . . . . . . 46 LEU CA . 51024 1 218 . 1 . 1 46 46 LEU CB C 13 40.75883875 0.01883883132 . . . . . . . 46 LEU CB . 51024 1 219 . 1 . 1 46 46 LEU N N 15 118.7012924 0.05286744814 . . . . . . . 46 LEU N . 51024 1 220 . 1 . 1 47 47 LEU H H 1 8.423098099 0.005628245127 . . . . . . . 47 LEU H . 51024 1 221 . 1 . 1 47 47 LEU C C 13 179.0562924 0.01902144294 . . . . . . . 47 LEU C . 51024 1 222 . 1 . 1 47 47 LEU CA C 13 57.33422005 0.04488285612 . . . . . . . 47 LEU CA . 51024 1 223 . 1 . 1 47 47 LEU CB C 13 40.93131878 0.0866808226 . . . . . . . 47 LEU CB . 51024 1 224 . 1 . 1 47 47 LEU N N 15 121.2202134 0.0435480721 . . . . . . . 47 LEU N . 51024 1 225 . 1 . 1 48 48 ALA H H 1 8.201823673 0.009143344303 . . . . . . . 48 ALA H . 51024 1 226 . 1 . 1 48 48 ALA C C 13 179.9750164 0.02698165781 . . . . . . . 48 ALA C . 51024 1 227 . 1 . 1 48 48 ALA CA C 13 54.67493193 0.01559804285 . . . . . . . 48 ALA CA . 51024 1 228 . 1 . 1 48 48 ALA CB C 13 16.55902737 0.07982460298 . . . . . . . 48 ALA CB . 51024 1 229 . 1 . 1 48 48 ALA N N 15 121.4295129 0.0496887324 . . . . . . . 48 ALA N . 51024 1 230 . 1 . 1 49 49 GLN H H 1 7.373693499 0.00776367072 . . . . . . . 49 GLN H . 51024 1 231 . 1 . 1 49 49 GLN C C 13 178.2428822 0.01348015242 . . . . . . . 49 GLN C . 51024 1 232 . 1 . 1 49 49 GLN CA C 13 56.43439322 0.03361158066 . . . . . . . 49 GLN CA . 51024 1 233 . 1 . 1 49 49 GLN CB C 13 26.54383414 0.09985915644 . . . . . . . 49 GLN CB . 51024 1 234 . 1 . 1 49 49 GLN N N 15 114.5208613 0.05702615995 . . . . . . . 49 GLN N . 51024 1 235 . 1 . 1 50 50 THR H H 1 7.577577017 0.009361063699 . . . . . . . 50 THR H . 51024 1 236 . 1 . 1 50 50 THR C C 13 176.6998691 0 . . . . . . . 50 THR C . 51024 1 237 . 1 . 1 50 50 THR CA C 13 65.55351767 0.0219017443 . . . . . . . 50 THR CA . 51024 1 238 . 1 . 1 50 50 THR CB C 13 68.60633813 0.07731100209 . . . . . . . 50 THR CB . 51024 1 239 . 1 . 1 50 50 THR N N 15 111.2483747 0.07518883871 . . . . . . . 50 THR N . 51024 1 240 . 1 . 1 51 51 LEU H H 1 7.20341346 0.008142322526 . . . . . . . 51 LEU H . 51024 1 241 . 1 . 1 51 51 LEU C C 13 177.180375 0.004486430246 . . . . . . . 51 LEU C . 51024 1 242 . 1 . 1 51 51 LEU CA C 13 55.93591099 0.03566437572 . . . . . . . 51 LEU CA . 51024 1 243 . 1 . 1 51 51 LEU CB C 13 39.43807139 0.05379365911 . . . . . . . 51 LEU CB . 51024 1 244 . 1 . 1 51 51 LEU N N 15 119.9721657 0.05440017066 . . . . . . . 51 LEU N . 51024 1 245 . 1 . 1 52 52 ALA H H 1 7.12463363 0.01037045206 . . . . . . . 52 ALA H . 51024 1 246 . 1 . 1 52 52 ALA C C 13 177.4933515 0.003975373972 . . . . . . . 52 ALA C . 51024 1 247 . 1 . 1 52 52 ALA CA C 13 52.85455798 0.02925023176 . . . . . . . 52 ALA CA . 51024 1 248 . 1 . 1 52 52 ALA CB C 13 17.22674048 0.05150446544 . . . . . . . 52 ALA CB . 51024 1 249 . 1 . 1 52 52 ALA N N 15 118.8855691 0.05703228454 . . . . . . . 52 ALA N . 51024 1 250 . 1 . 1 53 53 TYR H H 1 7.748493298 0.01126762904 . . . . . . . 53 TYR H . 51024 1 251 . 1 . 1 53 53 TYR C C 13 174.93664 0.008925983632 . . . . . . . 53 TYR C . 51024 1 252 . 1 . 1 53 53 TYR CA C 13 58.18867351 0.05038776239 . . . . . . . 53 TYR CA . 51024 1 253 . 1 . 1 53 53 TYR CB C 13 41.53027509 0.05859773842 . . . . . . . 53 TYR CB . 51024 1 254 . 1 . 1 53 53 TYR N N 15 113.9291633 0.04670559179 . . . . . . . 53 TYR N . 51024 1 255 . 1 . 1 54 54 ILE H H 1 7.831554172 0.008828810445 . . . . . . . 54 ILE H . 51024 1 256 . 1 . 1 54 54 ILE C C 13 172.6990991 0 . . . . . . . 54 ILE C . 51024 1 257 . 1 . 1 54 54 ILE CA C 13 57.41677396 0 . . . . . . . 54 ILE CA . 51024 1 258 . 1 . 1 54 54 ILE CB C 13 39.81761386 0 . . . . . . . 54 ILE CB . 51024 1 259 . 1 . 1 54 54 ILE N N 15 119.2185591 0.07366134665 . . . . . . . 54 ILE N . 51024 1 260 . 1 . 1 55 55 PRO C C 13 177.7603937 0.002975991398 . . . . . . . 55 PRO C . 51024 1 261 . 1 . 1 55 55 PRO CA C 13 62.7512776 0.02131592776 . . . . . . . 55 PRO CA . 51024 1 262 . 1 . 1 55 55 PRO CB C 13 31.9413924 0.06234845296 . . . . . . . 55 PRO CB . 51024 1 263 . 1 . 1 56 56 THR H H 1 8.20458811 0.005644890284 . . . . . . . 56 THR H . 51024 1 264 . 1 . 1 56 56 THR C C 13 175.8023449 0 . . . . . . . 56 THR C . 51024 1 265 . 1 . 1 56 56 THR CA C 13 65.8382585 0.0269401362 . . . . . . . 56 THR CA . 51024 1 266 . 1 . 1 56 56 THR CB C 13 68.0810453 0.06447867988 . . . . . . . 56 THR CB . 51024 1 267 . 1 . 1 56 56 THR N N 15 118.3399443 0.06774681543 . . . . . . . 56 THR N . 51024 1 268 . 1 . 1 57 57 GLY H H 1 8.779836202 0.005485975898 . . . . . . . 57 GLY H . 51024 1 269 . 1 . 1 57 57 GLY C C 13 176.1234609 0.0002297781243 . . . . . . . 57 GLY C . 51024 1 270 . 1 . 1 57 57 GLY CA C 13 47.24193659 0.05556185156 . . . . . . . 57 GLY CA . 51024 1 271 . 1 . 1 57 57 GLY N N 15 107.2128019 0.05508203778 . . . . . . . 57 GLY N . 51024 1 272 . 1 . 1 58 58 ILE H H 1 6.892671292 0.009573310432 . . . . . . . 58 ILE H . 51024 1 273 . 1 . 1 58 58 ILE C C 13 176.910523 0.009501188951 . . . . . . . 58 ILE C . 51024 1 274 . 1 . 1 58 58 ILE CA C 13 64.38055564 0.01857844839 . . . . . . . 58 ILE CA . 51024 1 275 . 1 . 1 58 58 ILE CB C 13 37.01346234 0.05390163424 . . . . . . . 58 ILE CB . 51024 1 276 . 1 . 1 58 58 ILE N N 15 119.5027728 0.0596127262 . . . . . . . 58 ILE N . 51024 1 277 . 1 . 1 59 59 ALA H H 1 7.924770957 0.008081802405 . . . . . . . 59 ALA H . 51024 1 278 . 1 . 1 59 59 ALA C C 13 179.4525433 0.00140744495 . . . . . . . 59 ALA C . 51024 1 279 . 1 . 1 59 59 ALA CA C 13 55.49967378 0.02518175802 . . . . . . . 59 ALA CA . 51024 1 280 . 1 . 1 59 59 ALA CB C 13 17.24397596 0.06354812592 . . . . . . . 59 ALA CB . 51024 1 281 . 1 . 1 59 59 ALA N N 15 121.4404646 0.04697680205 . . . . . . . 59 ALA N . 51024 1 282 . 1 . 1 60 60 TYR H H 1 8.708193625 0.008127840375 . . . . . . . 60 TYR H . 51024 1 283 . 1 . 1 60 60 TYR C C 13 177.8369336 0.003151387305 . . . . . . . 60 TYR C . 51024 1 284 . 1 . 1 60 60 TYR CA C 13 60.87790948 0.02419675155 . . . . . . . 60 TYR CA . 51024 1 285 . 1 . 1 60 60 TYR CB C 13 37.33358849 0.06165530961 . . . . . . . 60 TYR CB . 51024 1 286 . 1 . 1 60 60 TYR N N 15 115.1496392 0.05044862581 . . . . . . . 60 TYR N . 51024 1 287 . 1 . 1 61 61 ALA H H 1 8.131161271 0.007461741 . . . . . . . 61 ALA H . 51024 1 288 . 1 . 1 61 61 ALA C C 13 179.9963631 0.001125528028 . . . . . . . 61 ALA C . 51024 1 289 . 1 . 1 61 61 ALA CA C 13 55.27025419 0.02733581851 . . . . . . . 61 ALA CA . 51024 1 290 . 1 . 1 61 61 ALA CB C 13 18.06673198 0.04666767511 . . . . . . . 61 ALA CB . 51024 1 291 . 1 . 1 61 61 ALA N N 15 119.7147178 0.04525493597 . . . . . . . 61 ALA N . 51024 1 292 . 1 . 1 62 62 ILE H H 1 8.165597068 0.009925925784 . . . . . . . 62 ILE H . 51024 1 293 . 1 . 1 62 62 ILE C C 13 177.1596316 0.00289527041 . . . . . . . 62 ILE C . 51024 1 294 . 1 . 1 62 62 ILE CA C 13 64.87148416 0.01523617971 . . . . . . . 62 ILE CA . 51024 1 295 . 1 . 1 62 62 ILE CB C 13 36.82824736 0.04058322434 . . . . . . . 62 ILE CB . 51024 1 296 . 1 . 1 62 62 ILE N N 15 116.0170461 0.04524619112 . . . . . . . 62 ILE N . 51024 1 297 . 1 . 1 63 63 TRP H H 1 8.718692958 0.004617181767 . . . . . . . 63 TRP H . 51024 1 298 . 1 . 1 63 63 TRP C C 13 181.0057263 0.001970851446 . . . . . . . 63 TRP C . 51024 1 299 . 1 . 1 63 63 TRP CA C 13 61.79177599 0.03531159364 . . . . . . . 63 TRP CA . 51024 1 300 . 1 . 1 63 63 TRP CB C 13 28.90114488 0.06400751105 . . . . . . . 63 TRP CB . 51024 1 301 . 1 . 1 63 63 TRP N N 15 121.3868177 0.06736837274 . . . . . . . 63 TRP N . 51024 1 302 . 1 . 1 64 64 VAL H H 1 9.179001434 0.003569877216 . . . . . . . 64 VAL H . 51024 1 303 . 1 . 1 64 64 VAL C C 13 177.4307257 0.005046884129 . . . . . . . 64 VAL C . 51024 1 304 . 1 . 1 64 64 VAL CA C 13 64.82735081 0.03161592435 . . . . . . . 64 VAL CA . 51024 1 305 . 1 . 1 64 64 VAL CB C 13 31.38896818 0.07629795195 . . . . . . . 64 VAL CB . 51024 1 306 . 1 . 1 64 64 VAL N N 15 119.5176813 0.07886385543 . . . . . . . 64 VAL N . 51024 1 307 . 1 . 1 65 65 GLY H H 1 8.446986113 0.009242215271 . . . . . . . 65 GLY H . 51024 1 308 . 1 . 1 65 65 GLY C C 13 174.7923112 0.01393987676 . . . . . . . 65 GLY C . 51024 1 309 . 1 . 1 65 65 GLY CA C 13 47.08101806 0.04067404834 . . . . . . . 65 GLY CA . 51024 1 310 . 1 . 1 65 65 GLY N N 15 109.4679361 0.08391346081 . . . . . . . 65 GLY N . 51024 1 311 . 1 . 1 66 66 VAL H H 1 8.578800343 0.008204174869 . . . . . . . 66 VAL H . 51024 1 312 . 1 . 1 66 66 VAL C C 13 178.2517891 0.01401845087 . . . . . . . 66 VAL C . 51024 1 313 . 1 . 1 66 66 VAL CA C 13 65.96214577 0.03856244058 . . . . . . . 66 VAL CA . 51024 1 314 . 1 . 1 66 66 VAL CB C 13 29.43637474 0.07138013962 . . . . . . . 66 VAL CB . 51024 1 315 . 1 . 1 66 66 VAL N N 15 118.1729239 0.03547815658 . . . . . . . 66 VAL N . 51024 1 316 . 1 . 1 67 67 GLY H H 1 6.997884937 0.01326909272 . . . . . . . 67 GLY H . 51024 1 317 . 1 . 1 67 67 GLY C C 13 174.3439342 0.01415265474 . . . . . . . 67 GLY C . 51024 1 318 . 1 . 1 67 67 GLY CA C 13 47.00901416 0.06557952492 . . . . . . . 67 GLY CA . 51024 1 319 . 1 . 1 67 67 GLY N N 15 105.9869258 0.05376707036 . . . . . . . 67 GLY N . 51024 1 320 . 1 . 1 68 68 ILE H H 1 8.753542941 0.00623207324 . . . . . . . 68 ILE H . 51024 1 321 . 1 . 1 68 68 ILE C C 13 178.9758395 0.01062036143 . . . . . . . 68 ILE C . 51024 1 322 . 1 . 1 68 68 ILE CA C 13 66.21961408 0.01744581088 . . . . . . . 68 ILE CA . 51024 1 323 . 1 . 1 68 68 ILE CB C 13 37.59337882 0.03998855205 . . . . . . . 68 ILE CB . 51024 1 324 . 1 . 1 68 68 ILE N N 15 120.9930584 0.06958713704 . . . . . . . 68 ILE N . 51024 1 325 . 1 . 1 69 69 VAL H H 1 7.451498972 0.007346651108 . . . . . . . 69 VAL H . 51024 1 326 . 1 . 1 69 69 VAL C C 13 177.648637 0.01397862293 . . . . . . . 69 VAL C . 51024 1 327 . 1 . 1 69 69 VAL CA C 13 66.83741048 0.02265165674 . . . . . . . 69 VAL CA . 51024 1 328 . 1 . 1 69 69 VAL CB C 13 30.89895906 0.06383306186 . . . . . . . 69 VAL CB . 51024 1 329 . 1 . 1 69 69 VAL N N 15 119.5701401 0.0548128296 . . . . . . . 69 VAL N . 51024 1 330 . 1 . 1 70 70 LEU H H 1 8.562518636 0.008362333033 . . . . . . . 70 LEU H . 51024 1 331 . 1 . 1 70 70 LEU C C 13 179.346275 0.00952220266 . . . . . . . 70 LEU C . 51024 1 332 . 1 . 1 70 70 LEU CA C 13 57.73757177 0.0473759925 . . . . . . . 70 LEU CA . 51024 1 333 . 1 . 1 70 70 LEU CB C 13 41.24125543 0.08842042003 . . . . . . . 70 LEU CB . 51024 1 334 . 1 . 1 70 70 LEU N N 15 118.0676854 0.05531855645 . . . . . . . 70 LEU N . 51024 1 335 . 1 . 1 71 71 ILE H H 1 9.032217973 0.008124586173 . . . . . . . 71 ILE H . 51024 1 336 . 1 . 1 71 71 ILE C C 13 179.5268091 0.02579930666 . . . . . . . 71 ILE C . 51024 1 337 . 1 . 1 71 71 ILE CA C 13 65.55254417 0.03113453596 . . . . . . . 71 ILE CA . 51024 1 338 . 1 . 1 71 71 ILE CB C 13 37.24453214 0.01218485365 . . . . . . . 71 ILE CB . 51024 1 339 . 1 . 1 71 71 ILE N N 15 119.8470277 0.05434382626 . . . . . . . 71 ILE N . 51024 1 340 . 1 . 1 72 72 SER H H 1 7.855297118 0.008882943669 . . . . . . . 72 SER H . 51024 1 341 . 1 . 1 72 72 SER C C 13 176.5593796 0 . . . . . . . 72 SER C . 51024 1 342 . 1 . 1 72 72 SER CA C 13 63.03575109 0.02934404959 . . . . . . . 72 SER CA . 51024 1 343 . 1 . 1 72 72 SER CB C 13 61.9983514 0.0259783248 . . . . . . . 72 SER CB . 51024 1 344 . 1 . 1 72 72 SER N N 15 118.4776414 0.05120340838 . . . . . . . 72 SER N . 51024 1 345 . 1 . 1 73 73 LEU H H 1 8.34697553 0.007488355681 . . . . . . . 73 LEU H . 51024 1 346 . 1 . 1 73 73 LEU C C 13 178.3472501 0.0001990325381 . . . . . . . 73 LEU C . 51024 1 347 . 1 . 1 73 73 LEU CA C 13 58.13019294 0.0410891145 . . . . . . . 73 LEU CA . 51024 1 348 . 1 . 1 73 73 LEU CB C 13 41.49550669 0.05642266203 . . . . . . . 73 LEU CB . 51024 1 349 . 1 . 1 73 73 LEU N N 15 123.9246673 0.05309267629 . . . . . . . 73 LEU N . 51024 1 350 . 1 . 1 74 74 LEU H H 1 8.644911375 0.007161991414 . . . . . . . 74 LEU H . 51024 1 351 . 1 . 1 74 74 LEU C C 13 179.0625664 0.01458181926 . . . . . . . 74 LEU C . 51024 1 352 . 1 . 1 74 74 LEU CA C 13 58.01847634 0.03740026099 . . . . . . . 74 LEU CA . 51024 1 353 . 1 . 1 74 74 LEU CB C 13 40.36638228 0.06889678373 . . . . . . . 74 LEU CB . 51024 1 354 . 1 . 1 74 74 LEU N N 15 119.1787267 0.04827446197 . . . . . . . 74 LEU N . 51024 1 355 . 1 . 1 75 75 SER H H 1 8.246568495 0.009820155412 . . . . . . . 75 SER H . 51024 1 356 . 1 . 1 75 75 SER HA H 1 4.450429092 0 . . . . . . . 75 SER HA . 51024 1 357 . 1 . 1 75 75 SER C C 13 176.8043355 0 . . . . . . . 75 SER C . 51024 1 358 . 1 . 1 75 75 SER CA C 13 62.71445106 0.01520352195 . . . . . . . 75 SER CA . 51024 1 359 . 1 . 1 75 75 SER N N 15 115.2380261 0.06171307047 . . . . . . . 75 SER N . 51024 1 360 . 1 . 1 76 76 TRP H H 1 7.767725285 0.008484062006 . . . . . . . 76 TRP H . 51024 1 361 . 1 . 1 76 76 TRP C C 13 177.7357747 0.007873107285 . . . . . . . 76 TRP C . 51024 1 362 . 1 . 1 76 76 TRP CA C 13 59.17838142 0.03401396527 . . . . . . . 76 TRP CA . 51024 1 363 . 1 . 1 76 76 TRP CB C 13 27.99060668 0.04675844495 . . . . . . . 76 TRP CB . 51024 1 364 . 1 . 1 76 76 TRP N N 15 125.0995342 0.06234486474 . . . . . . . 76 TRP N . 51024 1 365 . 1 . 1 77 77 GLY H H 1 8.177524054 0.01068371558 . . . . . . . 77 GLY H . 51024 1 366 . 1 . 1 77 77 GLY C C 13 173.6762009 0.001205800402 . . . . . . . 77 GLY C . 51024 1 367 . 1 . 1 77 77 GLY CA C 13 47.00064024 0.02520415558 . . . . . . . 77 GLY CA . 51024 1 368 . 1 . 1 77 77 GLY N N 15 103.9323724 0.0515961537 . . . . . . . 77 GLY N . 51024 1 369 . 1 . 1 78 78 PHE H H 1 8.461686761 0.009047894426 . . . . . . . 78 PHE H . 51024 1 370 . 1 . 1 78 78 PHE C C 13 176.6249797 0.003224360876 . . . . . . . 78 PHE C . 51024 1 371 . 1 . 1 78 78 PHE CA C 13 58.56713131 0.0169809435 . . . . . . . 78 PHE CA . 51024 1 372 . 1 . 1 78 78 PHE CB C 13 38.08902976 0.03177781069 . . . . . . . 78 PHE CB . 51024 1 373 . 1 . 1 78 78 PHE N N 15 114.3993811 0.03644770913 . . . . . . . 78 PHE N . 51024 1 374 . 1 . 1 79 79 PHE H H 1 6.807586161 0.008741230958 . . . . . . . 79 PHE H . 51024 1 375 . 1 . 1 79 79 PHE C C 13 176.5617356 0.01412405894 . . . . . . . 79 PHE C . 51024 1 376 . 1 . 1 79 79 PHE CA C 13 55.20640535 0.03987226101 . . . . . . . 79 PHE CA . 51024 1 377 . 1 . 1 79 79 PHE CB C 13 38.85933836 0.04213795496 . . . . . . . 79 PHE CB . 51024 1 378 . 1 . 1 79 79 PHE N N 15 112.3160097 0.04672870484 . . . . . . . 79 PHE N . 51024 1 379 . 1 . 1 80 80 GLY H H 1 7.46461851 0.007996819242 . . . . . . . 80 GLY H . 51024 1 380 . 1 . 1 80 80 GLY C C 13 175.0652464 0.01709347414 . . . . . . . 80 GLY C . 51024 1 381 . 1 . 1 80 80 GLY CA C 13 46.34000698 0.04686419092 . . . . . . . 80 GLY CA . 51024 1 382 . 1 . 1 80 80 GLY N N 15 108.8506778 0.06726019353 . . . . . . . 80 GLY N . 51024 1 383 . 1 . 1 81 81 GLN H H 1 7.679698717 0.008347592594 . . . . . . . 81 GLN H . 51024 1 384 . 1 . 1 81 81 GLN C C 13 174.1899879 0.004128950767 . . . . . . . 81 GLN C . 51024 1 385 . 1 . 1 81 81 GLN CA C 13 55.27504184 0.03802361914 . . . . . . . 81 GLN CA . 51024 1 386 . 1 . 1 81 81 GLN CB C 13 25.39281647 0.0552856457 . . . . . . . 81 GLN CB . 51024 1 387 . 1 . 1 81 81 GLN N N 15 119.5633758 0.05812135047 . . . . . . . 81 GLN N . 51024 1 388 . 1 . 1 82 82 ARG H H 1 7.752171696 0.008225511997 . . . . . . . 82 ARG H . 51024 1 389 . 1 . 1 82 82 ARG C C 13 175.2372344 0.008144195519 . . . . . . . 82 ARG C . 51024 1 390 . 1 . 1 82 82 ARG CA C 13 55.36897602 0.01973436002 . . . . . . . 82 ARG CA . 51024 1 391 . 1 . 1 82 82 ARG CB C 13 29.75309646 0.05263046608 . . . . . . . 82 ARG CB . 51024 1 392 . 1 . 1 82 82 ARG N N 15 125.9111233 0.05422055602 . . . . . . . 82 ARG N . 51024 1 393 . 1 . 1 83 83 LEU H H 1 6.414732205 0.003334477226 . . . . . . . 83 LEU H . 51024 1 394 . 1 . 1 83 83 LEU C C 13 174.8127855 0.006780793661 . . . . . . . 83 LEU C . 51024 1 395 . 1 . 1 83 83 LEU CA C 13 52.79228545 0.02035879502 . . . . . . . 83 LEU CA . 51024 1 396 . 1 . 1 83 83 LEU CB C 13 43.04557798 0.03195023326 . . . . . . . 83 LEU CB . 51024 1 397 . 1 . 1 83 83 LEU N N 15 122.6364948 0.05589727163 . . . . . . . 83 LEU N . 51024 1 398 . 1 . 1 84 84 ASP H H 1 7.460811435 0.006771761112 . . . . . . . 84 ASP H . 51024 1 399 . 1 . 1 84 84 ASP C C 13 175.4238939 0.007945664609 . . . . . . . 84 ASP C . 51024 1 400 . 1 . 1 84 84 ASP CA C 13 50.98833884 0.01073918689 . . . . . . . 84 ASP CA . 51024 1 401 . 1 . 1 84 84 ASP CB C 13 41.01340931 0.05911881032 . . . . . . . 84 ASP CB . 51024 1 402 . 1 . 1 84 84 ASP N N 15 119.0515544 0.05356971509 . . . . . . . 84 ASP N . 51024 1 403 . 1 . 1 85 85 LEU H H 1 8.754583753 0.003748918603 . . . . . . . 85 LEU H . 51024 1 404 . 1 . 1 85 85 LEU C C 13 176.0411864 0 . . . . . . . 85 LEU C . 51024 1 405 . 1 . 1 85 85 LEU CA C 13 59.3781109 0 . . . . . . . 85 LEU CA . 51024 1 406 . 1 . 1 85 85 LEU CB C 13 38.17315846 0 . . . . . . . 85 LEU CB . 51024 1 407 . 1 . 1 85 85 LEU N N 15 118.5111041 0.0344798302 . . . . . . . 85 LEU N . 51024 1 408 . 1 . 1 86 86 PRO C C 13 177.6207651 0 . . . . . . . 86 PRO C . 51024 1 409 . 1 . 1 86 86 PRO CA C 13 66.22686176 0.03185791345 . . . . . . . 86 PRO CA . 51024 1 410 . 1 . 1 86 86 PRO CB C 13 30.42044797 0.0553998463 . . . . . . . 86 PRO CB . 51024 1 411 . 1 . 1 87 87 ALA H H 1 7.539201337 0.007754247308 . . . . . . . 87 ALA H . 51024 1 412 . 1 . 1 87 87 ALA C C 13 179.1321513 0.002630886525 . . . . . . . 87 ALA C . 51024 1 413 . 1 . 1 87 87 ALA CA C 13 55.32993316 0.01839126967 . . . . . . . 87 ALA CA . 51024 1 414 . 1 . 1 87 87 ALA CB C 13 17.83289551 0.06960717459 . . . . . . . 87 ALA CB . 51024 1 415 . 1 . 1 87 87 ALA N N 15 117.4981545 0.05815305322 . . . . . . . 87 ALA N . 51024 1 416 . 1 . 1 88 88 ILE H H 1 8.259832243 0.007079416285 . . . . . . . 88 ILE H . 51024 1 417 . 1 . 1 88 88 ILE C C 13 178.217674 0.01241638854 . . . . . . . 88 ILE C . 51024 1 418 . 1 . 1 88 88 ILE CA C 13 65.30270709 0.02281375554 . . . . . . . 88 ILE CA . 51024 1 419 . 1 . 1 88 88 ILE CB C 13 37.26241963 0.04682584211 . . . . . . . 88 ILE CB . 51024 1 420 . 1 . 1 88 88 ILE N N 15 118.2773415 0.05202144458 . . . . . . . 88 ILE N . 51024 1 421 . 1 . 1 89 89 ILE H H 1 8.776011089 0.007147541267 . . . . . . . 89 ILE H . 51024 1 422 . 1 . 1 89 89 ILE C C 13 178.3348897 0.00164698312 . . . . . . . 89 ILE C . 51024 1 423 . 1 . 1 89 89 ILE CA C 13 64.32383219 0.02217263892 . . . . . . . 89 ILE CA . 51024 1 424 . 1 . 1 89 89 ILE CB C 13 36.09405378 0.07579990469 . . . . . . . 89 ILE CB . 51024 1 425 . 1 . 1 89 89 ILE N N 15 119.2556555 0.04058676865 . . . . . . . 89 ILE N . 51024 1 426 . 1 . 1 90 90 GLY H H 1 8.837377247 0.008115451126 . . . . . . . 90 GLY H . 51024 1 427 . 1 . 1 90 90 GLY C C 13 175.6587218 0.03461161692 . . . . . . . 90 GLY C . 51024 1 428 . 1 . 1 90 90 GLY CA C 13 47.5468633 0.062561844 . . . . . . . 90 GLY CA . 51024 1 429 . 1 . 1 90 90 GLY N N 15 107.4823489 0.04458971066 . . . . . . . 90 GLY N . 51024 1 430 . 1 . 1 91 91 MET H H 1 8.631371587 0.008524697731 . . . . . . . 91 MET H . 51024 1 431 . 1 . 1 91 91 MET C C 13 178.594851 0.03816319536 . . . . . . . 91 MET C . 51024 1 432 . 1 . 1 91 91 MET CA C 13 59.55532259 0.05009549993 . . . . . . . 91 MET CA . 51024 1 433 . 1 . 1 91 91 MET CB C 13 32.72959612 0.05945757861 . . . . . . . 91 MET CB . 51024 1 434 . 1 . 1 91 91 MET N N 15 120.6910373 0.05352154735 . . . . . . . 91 MET N . 51024 1 435 . 1 . 1 92 92 MET H H 1 8.573054456 0.007825855932 . . . . . . . 92 MET H . 51024 1 436 . 1 . 1 92 92 MET C C 13 178.1999945 0.000958385276 . . . . . . . 92 MET C . 51024 1 437 . 1 . 1 92 92 MET CA C 13 59.1590238 0.02879611385 . . . . . . . 92 MET CA . 51024 1 438 . 1 . 1 92 92 MET CB C 13 31.55583022 0.07501671991 . . . . . . . 92 MET CB . 51024 1 439 . 1 . 1 92 92 MET N N 15 120.1835345 0.05147103385 . . . . . . . 92 MET N . 51024 1 440 . 1 . 1 93 93 LEU H H 1 8.245796942 0.009071898822 . . . . . . . 93 LEU H . 51024 1 441 . 1 . 1 93 93 LEU C C 13 178.8230849 0.003404404663 . . . . . . . 93 LEU C . 51024 1 442 . 1 . 1 93 93 LEU CA C 13 58.28219056 0.02995449832 . . . . . . . 93 LEU CA . 51024 1 443 . 1 . 1 93 93 LEU CB C 13 39.49808688 0.07475710108 . . . . . . . 93 LEU CB . 51024 1 444 . 1 . 1 93 93 LEU N N 15 120.4561472 0.04638214777 . . . . . . . 93 LEU N . 51024 1 445 . 1 . 1 94 94 ILE H H 1 7.957960943 0.007485662481 . . . . . . . 94 ILE H . 51024 1 446 . 1 . 1 94 94 ILE C C 13 177.7477317 0.03912457125 . . . . . . . 94 ILE C . 51024 1 447 . 1 . 1 94 94 ILE CA C 13 65.47921782 0.04386009512 . . . . . . . 94 ILE CA . 51024 1 448 . 1 . 1 94 94 ILE CB C 13 37.41326896 0.1866100937 . . . . . . . 94 ILE CB . 51024 1 449 . 1 . 1 94 94 ILE N N 15 118.5488663 0.07517884444 . . . . . . . 94 ILE N . 51024 1 450 . 1 . 1 95 95 CYS H H 1 8.42777985 0.009254962422 . . . . . . . 95 CYS H . 51024 1 451 . 1 . 1 95 95 CYS C C 13 176.542922 0.009702175555 . . . . . . . 95 CYS C . 51024 1 452 . 1 . 1 95 95 CYS CA C 13 64.40000904 0.01837054471 . . . . . . . 95 CYS CA . 51024 1 453 . 1 . 1 95 95 CYS CB C 13 26.238858 0.02502296934 . . . . . . . 95 CYS CB . 51024 1 454 . 1 . 1 95 95 CYS N N 15 116.8525108 0.06502598168 . . . . . . . 95 CYS N . 51024 1 455 . 1 . 1 96 96 ALA H H 1 8.802544673 0.007788893812 . . . . . . . 96 ALA H . 51024 1 456 . 1 . 1 96 96 ALA C C 13 179.0059564 0.004201695528 . . . . . . . 96 ALA C . 51024 1 457 . 1 . 1 96 96 ALA CA C 13 54.97268522 0.03668858714 . . . . . . . 96 ALA CA . 51024 1 458 . 1 . 1 96 96 ALA CB C 13 17.22913222 0.03685115034 . . . . . . . 96 ALA CB . 51024 1 459 . 1 . 1 96 96 ALA N N 15 120.0757057 0.04893661892 . . . . . . . 96 ALA N . 51024 1 460 . 1 . 1 97 97 GLY H H 1 8.539434474 0.00787655714 . . . . . . . 97 GLY H . 51024 1 461 . 1 . 1 97 97 GLY C C 13 175.13116 0.005296571845 . . . . . . . 97 GLY C . 51024 1 462 . 1 . 1 97 97 GLY CA C 13 48.41907114 0.04580331057 . . . . . . . 97 GLY CA . 51024 1 463 . 1 . 1 97 97 GLY N N 15 105.6789158 0.0682966498 . . . . . . . 97 GLY N . 51024 1 464 . 1 . 1 98 98 VAL H H 1 8.344355598 0.00730923646 . . . . . . . 98 VAL H . 51024 1 465 . 1 . 1 98 98 VAL C C 13 178.5577252 0.001313229964 . . . . . . . 98 VAL C . 51024 1 466 . 1 . 1 98 98 VAL CA C 13 66.72061078 0.03521639457 . . . . . . . 98 VAL CA . 51024 1 467 . 1 . 1 98 98 VAL CB C 13 30.68304829 0.09505189849 . . . . . . . 98 VAL CB . 51024 1 468 . 1 . 1 98 98 VAL N N 15 120.6744673 0.06387893256 . . . . . . . 98 VAL N . 51024 1 469 . 1 . 1 99 99 LEU H H 1 8.128565846 0.01046698063 . . . . . . . 99 LEU H . 51024 1 470 . 1 . 1 99 99 LEU C C 13 178.2031424 0.0001508856235 . . . . . . . 99 LEU C . 51024 1 471 . 1 . 1 99 99 LEU CA C 13 58.53531564 0.03873836437 . . . . . . . 99 LEU CA . 51024 1 472 . 1 . 1 99 99 LEU CB C 13 40.61745128 0.08261643847 . . . . . . . 99 LEU CB . 51024 1 473 . 1 . 1 99 99 LEU N N 15 120.5171975 0.03628546666 . . . . . . . 99 LEU N . 51024 1 474 . 1 . 1 100 100 ILE H H 1 8.445884484 0.006020778842 . . . . . . . 100 ILE H . 51024 1 475 . 1 . 1 100 100 ILE C C 13 177.6792726 0.009775728349 . . . . . . . 100 ILE C . 51024 1 476 . 1 . 1 100 100 ILE CA C 13 65.87414043 0.03712739423 . . . . . . . 100 ILE CA . 51024 1 477 . 1 . 1 100 100 ILE CB C 13 37.57199236 0.03551080374 . . . . . . . 100 ILE CB . 51024 1 478 . 1 . 1 100 100 ILE N N 15 119.2419313 0.07058197397 . . . . . . . 100 ILE N . 51024 1 479 . 1 . 1 101 101 ILE H H 1 8.017061434 0.008410309728 . . . . . . . 101 ILE H . 51024 1 480 . 1 . 1 101 101 ILE C C 13 176.7155596 0.01739055656 . . . . . . . 101 ILE C . 51024 1 481 . 1 . 1 101 101 ILE CA C 13 65.61272782 0.04717267709 . . . . . . . 101 ILE CA . 51024 1 482 . 1 . 1 101 101 ILE CB C 13 38.03428358 0.03368505987 . . . . . . . 101 ILE CB . 51024 1 483 . 1 . 1 101 101 ILE N N 15 117.7556086 0.04750600665 . . . . . . . 101 ILE N . 51024 1 484 . 1 . 1 102 102 ASN H H 1 7.437989476 0.009505396148 . . . . . . . 102 ASN H . 51024 1 485 . 1 . 1 102 102 ASN C C 13 175.9374749 0.000313432576 . . . . . . . 102 ASN C . 51024 1 486 . 1 . 1 102 102 ASN CA C 13 56.32404629 0.02968939458 . . . . . . . 102 ASN CA . 51024 1 487 . 1 . 1 102 102 ASN CB C 13 39.85609605 0.03871603222 . . . . . . . 102 ASN CB . 51024 1 488 . 1 . 1 102 102 ASN N N 15 114.2403516 0.04647479164 . . . . . . . 102 ASN N . 51024 1 489 . 1 . 1 103 103 LEU H H 1 8.354001313 0.009061484583 . . . . . . . 103 LEU H . 51024 1 490 . 1 . 1 103 103 LEU C C 13 177.5549477 0.0287873807 . . . . . . . 103 LEU C . 51024 1 491 . 1 . 1 103 103 LEU CA C 13 56.02983603 0.05283148109 . . . . . . . 103 LEU CA . 51024 1 492 . 1 . 1 103 103 LEU CB C 13 41.78874062 0.06117696891 . . . . . . . 103 LEU CB . 51024 1 493 . 1 . 1 103 103 LEU N N 15 115.3785908 0.04291183309 . . . . . . . 103 LEU N . 51024 1 494 . 1 . 1 104 104 LEU H H 1 7.649035229 0.008951881008 . . . . . . . 104 LEU H . 51024 1 495 . 1 . 1 104 104 LEU C C 13 176.6256906 0.001484066777 . . . . . . . 104 LEU C . 51024 1 496 . 1 . 1 104 104 LEU CA C 13 54.37600779 0.0325090554 . . . . . . . 104 LEU CA . 51024 1 497 . 1 . 1 104 104 LEU CB C 13 42.50142147 0.04491991362 . . . . . . . 104 LEU CB . 51024 1 498 . 1 . 1 104 104 LEU N N 15 114.7722832 0.03712609063 . . . . . . . 104 LEU N . 51024 1 499 . 1 . 1 105 105 SER H H 1 7.058644672 0.00764167649 . . . . . . . 105 SER H . 51024 1 500 . 1 . 1 105 105 SER C C 13 175.2255049 0 . . . . . . . 105 SER C . 51024 1 501 . 1 . 1 105 105 SER CA C 13 57.6717124 0.03275928789 . . . . . . . 105 SER CA . 51024 1 502 . 1 . 1 105 105 SER CB C 13 63.30906271 0.05738506505 . . . . . . . 105 SER CB . 51024 1 503 . 1 . 1 105 105 SER N N 15 112.7292509 0.04371146888 . . . . . . . 105 SER N . 51024 1 504 . 1 . 1 106 106 ARG H H 1 9.254609555 0.00255338744 . . . . . . . 106 ARG H . 51024 1 505 . 1 . 1 106 106 ARG C C 13 176.4085315 0.01565478488 . . . . . . . 106 ARG C . 51024 1 506 . 1 . 1 106 106 ARG CA C 13 55.2576246 0.02013364165 . . . . . . . 106 ARG CA . 51024 1 507 . 1 . 1 106 106 ARG CB C 13 30.00286686 0.05943834476 . . . . . . . 106 ARG CB . 51024 1 508 . 1 . 1 106 106 ARG N N 15 127.2324973 0.0643090063 . . . . . . . 106 ARG N . 51024 1 509 . 1 . 1 107 107 SER H H 1 8.355113835 0.003596571436 . . . . . . . 107 SER H . 51024 1 510 . 1 . 1 107 107 SER C C 13 174.2477674 0 . . . . . . . 107 SER C . 51024 1 511 . 1 . 1 107 107 SER CA C 13 58.37587839 0.04732694159 . . . . . . . 107 SER CA . 51024 1 512 . 1 . 1 107 107 SER CB C 13 63.23126534 0.05470441633 . . . . . . . 107 SER CB . 51024 1 513 . 1 . 1 107 107 SER N N 15 117.1731263 0.04744265947 . . . . . . . 107 SER N . 51024 1 514 . 1 . 1 108 108 THR H H 1 7.829822767 0.005593998295 . . . . . . . 108 THR H . 51024 1 515 . 1 . 1 108 108 THR C C 13 172.8308708 0 . . . . . . . 108 THR C . 51024 1 516 . 1 . 1 108 108 THR CA C 13 59.16093815 0 . . . . . . . 108 THR CA . 51024 1 517 . 1 . 1 108 108 THR CB C 13 69.34266888 0 . . . . . . . 108 THR CB . 51024 1 518 . 1 . 1 108 108 THR N N 15 117.3364619 0.08349730384 . . . . . . . 108 THR N . 51024 1 519 . 1 . 1 109 109 PRO C C 13 175.5553925 0 . . . . . . . 109 PRO C . 51024 1 520 . 1 . 1 109 109 PRO CA C 13 63.06059351 0.03251640838 . . . . . . . 109 PRO CA . 51024 1 521 . 1 . 1 109 109 PRO CB C 13 31.00377592 0.0417270457 . . . . . . . 109 PRO CB . 51024 1 522 . 1 . 1 110 110 HIS H H 1 7.813098501 0.01457629202 . . . . . . . 110 HIS H . 51024 1 523 . 1 . 1 110 110 HIS C C 13 178.7900258 0 . . . . . . . 110 HIS C . 51024 1 524 . 1 . 1 110 110 HIS CA C 13 56.76993638 0 . . . . . . . 110 HIS CA . 51024 1 525 . 1 . 1 110 110 HIS CB C 13 30.13334881 0 . . . . . . . 110 HIS CB . 51024 1 526 . 1 . 1 110 110 HIS N N 15 123.7176161 0.03576030547 . . . . . . . 110 HIS N . 51024 1 527 . 2 . 1 1 1 MET C C 13 175.1627845 0 . . . . . . . 1 MET C . 51024 1 528 . 2 . 1 1 1 MET CA C 13 54.76625474 0.008804107144 . . . . . . . 1 MET CA . 51024 1 529 . 2 . 1 1 1 MET CB C 13 32.46701371 0.06931933382 . . . . . . . 1 MET CB . 51024 1 530 . 2 . 1 2 2 ASN H H 1 8.179999243 0.003799753548 . . . . . . . 2 ASN H . 51024 1 531 . 2 . 1 2 2 ASN C C 13 174.53581 0 . . . . . . . 2 ASN C . 51024 1 532 . 2 . 1 2 2 ASN CA C 13 52.02062081 0 . . . . . . . 2 ASN CA . 51024 1 533 . 2 . 1 2 2 ASN CB C 13 37.98447968 0 . . . . . . . 2 ASN CB . 51024 1 534 . 2 . 1 2 2 ASN N N 15 121.747826 0.1008470174 . . . . . . . 2 ASN N . 51024 1 535 . 2 . 1 3 3 PRO C C 13 178.005952 0 . . . . . . . 3 PRO C . 51024 1 536 . 2 . 1 3 3 PRO CA C 13 64.24312294 0.01668241092 . . . . . . . 3 PRO CA . 51024 1 537 . 2 . 1 3 3 PRO CB C 13 31.0086889 0.03829850195 . . . . . . . 3 PRO CB . 51024 1 538 . 2 . 1 4 4 TYR H H 1 8.350846389 0.007585988886 . . . . . . . 4 TYR H . 51024 1 539 . 2 . 1 4 4 TYR C C 13 178.4090524 0.004888829979 . . . . . . . 4 TYR C . 51024 1 540 . 2 . 1 4 4 TYR CA C 13 61.70618649 0.02360906247 . . . . . . . 4 TYR CA . 51024 1 541 . 2 . 1 4 4 TYR CB C 13 36.27418474 0.05164830394 . . . . . . . 4 TYR CB . 51024 1 542 . 2 . 1 4 4 TYR N N 15 116.4336783 0.06482730337 . . . . . . . 4 TYR N . 51024 1 543 . 2 . 1 5 5 ILE H H 1 7.786142175 0.01039938522 . . . . . . . 5 ILE H . 51024 1 544 . 2 . 1 5 5 ILE C C 13 178.0857799 0.0004578550565 . . . . . . . 5 ILE C . 51024 1 545 . 2 . 1 5 5 ILE CA C 13 64.33671883 0.02593804335 . . . . . . . 5 ILE CA . 51024 1 546 . 2 . 1 5 5 ILE CB C 13 35.80116708 0.2003162662 . . . . . . . 5 ILE CB . 51024 1 547 . 2 . 1 5 5 ILE N N 15 121.1323027 0.07838449653 . . . . . . . 5 ILE N . 51024 1 548 . 2 . 1 6 6 TYR H H 1 6.873892691 0.007042292304 . . . . . . . 6 TYR H . 51024 1 549 . 2 . 1 6 6 TYR C C 13 178.1578974 0.002483748042 . . . . . . . 6 TYR C . 51024 1 550 . 2 . 1 6 6 TYR CA C 13 61.44802539 0.01324822773 . . . . . . . 6 TYR CA . 51024 1 551 . 2 . 1 6 6 TYR CB C 13 36.90643148 0.02231751269 . . . . . . . 6 TYR CB . 51024 1 552 . 2 . 1 6 6 TYR N N 15 118.8177578 0.0400528202 . . . . . . . 6 TYR N . 51024 1 553 . 2 . 1 7 7 LEU H H 1 7.989376339 0.004214685716 . . . . . . . 7 LEU H . 51024 1 554 . 2 . 1 7 7 LEU C C 13 178.6969459 0.04464172122 . . . . . . . 7 LEU C . 51024 1 555 . 2 . 1 7 7 LEU CA C 13 57.50983394 0.01760740579 . . . . . . . 7 LEU CA . 51024 1 556 . 2 . 1 7 7 LEU CB C 13 41.33363003 0.05781869734 . . . . . . . 7 LEU CB . 51024 1 557 . 2 . 1 7 7 LEU N N 15 120.0943169 0.05320017662 . . . . . . . 7 LEU N . 51024 1 558 . 2 . 1 8 8 GLY H H 1 8.737722683 0.01070158296 . . . . . . . 8 GLY H . 51024 1 559 . 2 . 1 8 8 GLY C C 13 175.5998633 0.01207094029 . . . . . . . 8 GLY C . 51024 1 560 . 2 . 1 8 8 GLY CA C 13 47.17685702 0.02184700812 . . . . . . . 8 GLY CA . 51024 1 561 . 2 . 1 8 8 GLY N N 15 106.4477139 0.05132117156 . . . . . . . 8 GLY N . 51024 1 562 . 2 . 1 9 9 GLY H H 1 8.717690551 0.005482741128 . . . . . . . 9 GLY H . 51024 1 563 . 2 . 1 9 9 GLY C C 13 174.3556129 0.002831445394 . . . . . . . 9 GLY C . 51024 1 564 . 2 . 1 9 9 GLY CA C 13 47.54104521 0.04585670229 . . . . . . . 9 GLY CA . 51024 1 565 . 2 . 1 9 9 GLY N N 15 109.4215714 0.07067038002 . . . . . . . 9 GLY N . 51024 1 566 . 2 . 1 10 10 ALA H H 1 8.903737347 0.005501264516 . . . . . . . 10 ALA H . 51024 1 567 . 2 . 1 10 10 ALA C C 13 182.2711974 0.002946753022 . . . . . . . 10 ALA C . 51024 1 568 . 2 . 1 10 10 ALA CA C 13 55.31295215 0.03403766133 . . . . . . . 10 ALA CA . 51024 1 569 . 2 . 1 10 10 ALA CB C 13 17.87884897 0.0458077559 . . . . . . . 10 ALA CB . 51024 1 570 . 2 . 1 10 10 ALA N N 15 124.878103 0.05306638035 . . . . . . . 10 ALA N . 51024 1 571 . 2 . 1 11 11 ILE H H 1 8.597596585 0.009078797596 . . . . . . . 11 ILE H . 51024 1 572 . 2 . 1 11 11 ILE C C 13 177.1329499 0.01349581008 . . . . . . . 11 ILE C . 51024 1 573 . 2 . 1 11 11 ILE CA C 13 64.36568541 0.02152954156 . . . . . . . 11 ILE CA . 51024 1 574 . 2 . 1 11 11 ILE CB C 13 37.53811109 0.01154993065 . . . . . . . 11 ILE CB . 51024 1 575 . 2 . 1 11 11 ILE N N 15 122.9674316 0.067059413 . . . . . . . 11 ILE N . 51024 1 576 . 2 . 1 12 12 LEU H H 1 8.335386432 0.006170319633 . . . . . . . 12 LEU H . 51024 1 577 . 2 . 1 12 12 LEU C C 13 178.3512786 0.04020956278 . . . . . . . 12 LEU C . 51024 1 578 . 2 . 1 12 12 LEU CA C 13 58.13951187 0.01145461648 . . . . . . . 12 LEU CA . 51024 1 579 . 2 . 1 12 12 LEU CB C 13 40.46874562 0.05832767834 . . . . . . . 12 LEU CB . 51024 1 580 . 2 . 1 12 12 LEU N N 15 120.6908782 0.07128187566 . . . . . . . 12 LEU N . 51024 1 581 . 2 . 1 13 13 ALA H H 1 8.491506479 0.008549194277 . . . . . . . 13 ALA H . 51024 1 582 . 2 . 1 13 13 ALA C C 13 178.695912 0.002138307107 . . . . . . . 13 ALA C . 51024 1 583 . 2 . 1 13 13 ALA CA C 13 55.40884379 0.03217879982 . . . . . . . 13 ALA CA . 51024 1 584 . 2 . 1 13 13 ALA CB C 13 16.40254446 0.06153678658 . . . . . . . 13 ALA CB . 51024 1 585 . 2 . 1 13 13 ALA N N 15 119.3483634 0.04775857914 . . . . . . . 13 ALA N . 51024 1 586 . 2 . 1 14 14 GLU H H 1 7.749419823 0.009585526153 . . . . . . . 14 GLU H . 51024 1 587 . 2 . 1 14 14 GLU C C 13 177.8043036 0.01240785203 . . . . . . . 14 GLU C . 51024 1 588 . 2 . 1 14 14 GLU CA C 13 58.57644312 0.02379774207 . . . . . . . 14 GLU CA . 51024 1 589 . 2 . 1 14 14 GLU CB C 13 27.04356685 0.05307632962 . . . . . . . 14 GLU CB . 51024 1 590 . 2 . 1 14 14 GLU N N 15 119.3382914 0.06926405857 . . . . . . . 14 GLU N . 51024 1 591 . 2 . 1 15 15 VAL H H 1 8.390743395 0.009749242143 . . . . . . . 15 VAL H . 51024 1 592 . 2 . 1 15 15 VAL C C 13 179.080858 0.01230989716 . . . . . . . 15 VAL C . 51024 1 593 . 2 . 1 15 15 VAL CA C 13 65.99153476 0.02041697516 . . . . . . . 15 VAL CA . 51024 1 594 . 2 . 1 15 15 VAL CB C 13 30.73385963 0.05649033348 . . . . . . . 15 VAL CB . 51024 1 595 . 2 . 1 15 15 VAL N N 15 121.6107456 0.05798227698 . . . . . . . 15 VAL N . 51024 1 596 . 2 . 1 16 16 ILE H H 1 8.570251118 0.008206707958 . . . . . . . 16 ILE H . 51024 1 597 . 2 . 1 16 16 ILE C C 13 177.9001749 0.008879347675 . . . . . . . 16 ILE C . 51024 1 598 . 2 . 1 16 16 ILE CA C 13 65.08295581 0.02855646452 . . . . . . . 16 ILE CA . 51024 1 599 . 2 . 1 16 16 ILE CB C 13 36.22541451 0.04888109257 . . . . . . . 16 ILE CB . 51024 1 600 . 2 . 1 16 16 ILE N N 15 122.2018092 0.05053175925 . . . . . . . 16 ILE N . 51024 1 601 . 2 . 1 17 17 GLY H H 1 8.498397019 0.009207867631 . . . . . . . 17 GLY H . 51024 1 602 . 2 . 1 17 17 GLY C C 13 174.5763352 0.0004768714892 . . . . . . . 17 GLY C . 51024 1 603 . 2 . 1 17 17 GLY CA C 13 47.7232362 0.06551154101 . . . . . . . 17 GLY CA . 51024 1 604 . 2 . 1 17 17 GLY N N 15 107.9853387 0.05043261497 . . . . . . . 17 GLY N . 51024 1 605 . 2 . 1 18 18 THR H H 1 8.462416031 0.006686995214 . . . . . . . 18 THR H . 51024 1 606 . 2 . 1 18 18 THR C C 13 175.3760482 0 . . . . . . . 18 THR C . 51024 1 607 . 2 . 1 18 18 THR CA C 13 66.41313651 0.0323120761 . . . . . . . 18 THR CA . 51024 1 608 . 2 . 1 18 18 THR CB C 13 68.36968678 0.01868640808 . . . . . . . 18 THR CB . 51024 1 609 . 2 . 1 18 18 THR N N 15 118.8501785 0.09105187625 . . . . . . . 18 THR N . 51024 1 610 . 2 . 1 19 19 THR H H 1 7.788185604 0.01059992925 . . . . . . . 19 THR H . 51024 1 611 . 2 . 1 19 19 THR C C 13 176.150651 0 . . . . . . . 19 THR C . 51024 1 612 . 2 . 1 19 19 THR CA C 13 67.5839752 0.04038351314 . . . . . . . 19 THR CA . 51024 1 613 . 2 . 1 19 19 THR CB C 13 68.24411763 0 . . . . . . . 19 THR CB . 51024 1 614 . 2 . 1 19 19 THR N N 15 119.4850287 0.07778363114 . . . . . . . 19 THR N . 51024 1 615 . 2 . 1 20 20 LEU H H 1 8.280612943 0.00898762989 . . . . . . . 20 LEU H . 51024 1 616 . 2 . 1 20 20 LEU C C 13 178.9785068 0.005048333523 . . . . . . . 20 LEU C . 51024 1 617 . 2 . 1 20 20 LEU CA C 13 57.98600997 0.04196802384 . . . . . . . 20 LEU CA . 51024 1 618 . 2 . 1 20 20 LEU CB C 13 39.98793319 0.06322866818 . . . . . . . 20 LEU CB . 51024 1 619 . 2 . 1 20 20 LEU N N 15 120.6699983 0.06375468882 . . . . . . . 20 LEU N . 51024 1 620 . 2 . 1 21 21 MET H H 1 8.15055169 0.005309318323 . . . . . . . 21 MET H . 51024 1 621 . 2 . 1 21 21 MET C C 13 181.2485056 0.01531588553 . . . . . . . 21 MET C . 51024 1 622 . 2 . 1 21 21 MET CA C 13 59.13372019 0.03513202713 . . . . . . . 21 MET CA . 51024 1 623 . 2 . 1 21 21 MET CB C 13 31.33444846 0.03088354437 . . . . . . . 21 MET CB . 51024 1 624 . 2 . 1 21 21 MET N N 15 121.2929604 0.06062386642 . . . . . . . 21 MET N . 51024 1 625 . 2 . 1 22 22 LYS H H 1 7.742578656 0.008414224201 . . . . . . . 22 LYS H . 51024 1 626 . 2 . 1 22 22 LYS C C 13 178.3207808 0.004210367882 . . . . . . . 22 LYS C . 51024 1 627 . 2 . 1 22 22 LYS CA C 13 58.64707815 0.04403284553 . . . . . . . 22 LYS CA . 51024 1 628 . 2 . 1 22 22 LYS CB C 13 30.49518886 0.05127148194 . . . . . . . 22 LYS CB . 51024 1 629 . 2 . 1 22 22 LYS N N 15 122.4213008 0.06259466863 . . . . . . . 22 LYS N . 51024 1 630 . 2 . 1 23 23 PHE H H 1 7.62412671 0.009306131312 . . . . . . . 23 PHE H . 51024 1 631 . 2 . 1 23 23 PHE C C 13 175.6691109 0.00423077143 . . . . . . . 23 PHE C . 51024 1 632 . 2 . 1 23 23 PHE CA C 13 58.62657676 0.0156602445 . . . . . . . 23 PHE CA . 51024 1 633 . 2 . 1 23 23 PHE CB C 13 38.24583616 0.03301781167 . . . . . . . 23 PHE CB . 51024 1 634 . 2 . 1 23 23 PHE N N 15 117.8874941 0.0496493804 . . . . . . . 23 PHE N . 51024 1 635 . 2 . 1 24 24 SER H H 1 7.907225674 0.00578519061 . . . . . . . 24 SER H . 51024 1 636 . 2 . 1 24 24 SER HA H 1 5.379942015 0 . . . . . . . 24 SER HA . 51024 1 637 . 2 . 1 24 24 SER C C 13 173.7472654 0 . . . . . . . 24 SER C . 51024 1 638 . 2 . 1 24 24 SER CA C 13 60.12743424 0.02957228047 . . . . . . . 24 SER CA . 51024 1 639 . 2 . 1 24 24 SER CB C 13 63.94325464 0.04852363611 . . . . . . . 24 SER CB . 51024 1 640 . 2 . 1 24 24 SER N N 15 115.0417497 0.07180870489 . . . . . . . 24 SER N . 51024 1 641 . 2 . 1 25 25 GLU H H 1 8.136801361 0.01036125712 . . . . . . . 25 GLU H . 51024 1 642 . 2 . 1 25 25 GLU C C 13 178.0476645 0.01194453656 . . . . . . . 25 GLU C . 51024 1 643 . 2 . 1 25 25 GLU CA C 13 55.88498108 0.03541473695 . . . . . . . 25 GLU CA . 51024 1 644 . 2 . 1 25 25 GLU CB C 13 26.27929904 0.08102812677 . . . . . . . 25 GLU CB . 51024 1 645 . 2 . 1 25 25 GLU N N 15 122.2588782 0.04411240396 . . . . . . . 25 GLU N . 51024 1 646 . 2 . 1 26 26 GLY H H 1 9.149378923 0.002140842824 . . . . . . . 26 GLY H . 51024 1 647 . 2 . 1 26 26 GLY C C 13 174.6446341 0.01910534382 . . . . . . . 26 GLY C . 51024 1 648 . 2 . 1 26 26 GLY CA C 13 46.9155997 0.03829177686 . . . . . . . 26 GLY CA . 51024 1 649 . 2 . 1 26 26 GLY N N 15 112.9649805 0.06636486784 . . . . . . . 26 GLY N . 51024 1 650 . 2 . 1 27 27 PHE H H 1 7.93596709 0.006755634399 . . . . . . . 27 PHE H . 51024 1 651 . 2 . 1 27 27 PHE C C 13 174.2012498 0.009459119365 . . . . . . . 27 PHE C . 51024 1 652 . 2 . 1 27 27 PHE CA C 13 58.99373759 0.0155092837 . . . . . . . 27 PHE CA . 51024 1 653 . 2 . 1 27 27 PHE CB C 13 35.87898099 0 . . . . . . . 27 PHE CB . 51024 1 654 . 2 . 1 27 27 PHE N N 15 114.0505832 0.05556123572 . . . . . . . 27 PHE N . 51024 1 655 . 2 . 1 28 28 THR H H 1 7.538685921 0.009135172413 . . . . . . . 28 THR H . 51024 1 656 . 2 . 1 28 28 THR C C 13 175.3813291 0.01090808964 . . . . . . . 28 THR C . 51024 1 657 . 2 . 1 28 28 THR CA C 13 61.96710722 0.04655179752 . . . . . . . 28 THR CA . 51024 1 658 . 2 . 1 28 28 THR CB C 13 70.27172464 0.06528004052 . . . . . . . 28 THR CB . 51024 1 659 . 2 . 1 28 28 THR N N 15 102.3815368 0.06991870316 . . . . . . . 28 THR N . 51024 1 660 . 2 . 1 29 29 ARG H H 1 7.546446962 0.01098058516 . . . . . . . 29 ARG H . 51024 1 661 . 2 . 1 29 29 ARG C C 13 177.8912371 0.01729592522 . . . . . . . 29 ARG C . 51024 1 662 . 2 . 1 29 29 ARG CA C 13 54.18450831 0.03705492767 . . . . . . . 29 ARG CA . 51024 1 663 . 2 . 1 29 29 ARG CB C 13 30.00216417 0.08857044831 . . . . . . . 29 ARG CB . 51024 1 664 . 2 . 1 29 29 ARG N N 15 120.7138674 0.06545653646 . . . . . . . 29 ARG N . 51024 1 665 . 2 . 1 30 30 LEU H H 1 8.948259044 0.004644515633 . . . . . . . 30 LEU H . 51024 1 666 . 2 . 1 30 30 LEU C C 13 177.4530141 0.04382624564 . . . . . . . 30 LEU C . 51024 1 667 . 2 . 1 30 30 LEU CA C 13 59.69913723 0.02436176843 . . . . . . . 30 LEU CA . 51024 1 668 . 2 . 1 30 30 LEU CB C 13 41.14790789 0.03582206712 . . . . . . . 30 LEU CB . 51024 1 669 . 2 . 1 30 30 LEU N N 15 130.9373192 0.04730797341 . . . . . . . 30 LEU N . 51024 1 670 . 2 . 1 31 31 TRP H H 1 9.216122235 0.003259539759 . . . . . . . 31 TRP H . 51024 1 671 . 2 . 1 31 31 TRP C C 13 177.2304765 0 . . . . . . . 31 TRP C . 51024 1 672 . 2 . 1 31 31 TRP CA C 13 61.72654655 0 . . . . . . . 31 TRP CA . 51024 1 673 . 2 . 1 31 31 TRP CB C 13 26.23533102 0 . . . . . . . 31 TRP CB . 51024 1 674 . 2 . 1 31 31 TRP N N 15 118.7323267 0.05408700921 . . . . . . . 31 TRP N . 51024 1 675 . 2 . 1 32 32 PRO C C 13 179.1969381 0 . . . . . . . 32 PRO C . 51024 1 676 . 2 . 1 32 32 PRO CA C 13 65.35653013 0.02951418471 . . . . . . . 32 PRO CA . 51024 1 677 . 2 . 1 32 32 PRO CB C 13 30.40615626 0.08201020601 . . . . . . . 32 PRO CB . 51024 1 678 . 2 . 1 33 33 SER H H 1 7.305433393 0.008144328786 . . . . . . . 33 SER H . 51024 1 679 . 2 . 1 33 33 SER HA H 1 4.6073745 0 . . . . . . . 33 SER HA . 51024 1 680 . 2 . 1 33 33 SER C C 13 175.2076612 0 . . . . . . . 33 SER C . 51024 1 681 . 2 . 1 33 33 SER CA C 13 63.54828004 0.007438531838 . . . . . . . 33 SER CA . 51024 1 682 . 2 . 1 33 33 SER CB C 13 61.55135747 0.06661306796 . . . . . . . 33 SER CB . 51024 1 683 . 2 . 1 33 33 SER N N 15 115.7504645 0.06820353939 . . . . . . . 33 SER N . 51024 1 684 . 2 . 1 34 34 VAL H H 1 8.426580409 0.009322512966 . . . . . . . 34 VAL H . 51024 1 685 . 2 . 1 34 34 VAL C C 13 178.5389093 0.009883705411 . . . . . . . 34 VAL C . 51024 1 686 . 2 . 1 34 34 VAL CA C 13 66.50419763 0.01118811177 . . . . . . . 34 VAL CA . 51024 1 687 . 2 . 1 34 34 VAL CB C 13 30.7343016 0.06378156612 . . . . . . . 34 VAL CB . 51024 1 688 . 2 . 1 34 34 VAL N N 15 121.9167057 0.05766756444 . . . . . . . 34 VAL N . 51024 1 689 . 2 . 1 35 35 GLY H H 1 8.834442613 0.007651925896 . . . . . . . 35 GLY H . 51024 1 690 . 2 . 1 35 35 GLY C C 13 174.7409397 0.001931808985 . . . . . . . 35 GLY C . 51024 1 691 . 2 . 1 35 35 GLY CA C 13 47.80462979 0.0440674928 . . . . . . . 35 GLY CA . 51024 1 692 . 2 . 1 35 35 GLY N N 15 105.4456175 0.03867989053 . . . . . . . 35 GLY N . 51024 1 693 . 2 . 1 36 36 THR H H 1 8.313618902 0.009494039059 . . . . . . . 36 THR H . 51024 1 694 . 2 . 1 36 36 THR C C 13 175.5999993 0 . . . . . . . 36 THR C . 51024 1 695 . 2 . 1 36 36 THR CA C 13 68.67749321 0.0233814386 . . . . . . . 36 THR CA . 51024 1 696 . 2 . 1 36 36 THR CB C 13 68.3011131 0 . . . . . . . 36 THR CB . 51024 1 697 . 2 . 1 36 36 THR N N 15 121.2781979 0.05365861002 . . . . . . . 36 THR N . 51024 1 698 . 2 . 1 37 37 ILE H H 1 7.529768258 0.009088180197 . . . . . . . 37 ILE H . 51024 1 699 . 2 . 1 37 37 ILE C C 13 178.3236448 0.01226752536 . . . . . . . 37 ILE C . 51024 1 700 . 2 . 1 37 37 ILE CA C 13 65.024908 0.02844282212 . . . . . . . 37 ILE CA . 51024 1 701 . 2 . 1 37 37 ILE CB C 13 37.07252543 0.06283055552 . . . . . . . 37 ILE CB . 51024 1 702 . 2 . 1 37 37 ILE N N 15 119.6211615 0.0561147634 . . . . . . . 37 ILE N . 51024 1 703 . 2 . 1 38 38 ILE H H 1 8.407959976 0.009135873536 . . . . . . . 38 ILE H . 51024 1 704 . 2 . 1 38 38 ILE C C 13 177.7557125 0.004205994369 . . . . . . . 38 ILE C . 51024 1 705 . 2 . 1 38 38 ILE CA C 13 65.57815464 0.02516192355 . . . . . . . 38 ILE CA . 51024 1 706 . 2 . 1 38 38 ILE CB C 13 36.73056028 0.07874202202 . . . . . . . 38 ILE CB . 51024 1 707 . 2 . 1 38 38 ILE N N 15 119.4189458 0.0494400544 . . . . . . . 38 ILE N . 51024 1 708 . 2 . 1 39 39 CYS H H 1 8.301331568 0.009695392495 . . . . . . . 39 CYS H . 51024 1 709 . 2 . 1 39 39 CYS C C 13 177.6363009 0.03046228484 . . . . . . . 39 CYS C . 51024 1 710 . 2 . 1 39 39 CYS CA C 13 65.17311001 0.04427878666 . . . . . . . 39 CYS CA . 51024 1 711 . 2 . 1 39 39 CYS CB C 13 25.9723154 0.1045522066 . . . . . . . 39 CYS CB . 51024 1 712 . 2 . 1 39 39 CYS N N 15 116.5451093 0.03371433927 . . . . . . . 39 CYS N . 51024 1 713 . 2 . 1 40 40 TYR H H 1 8.578188131 0.007715079929 . . . . . . . 40 TYR H . 51024 1 714 . 2 . 1 40 40 TYR C C 13 178.3104035 0.01789228642 . . . . . . . 40 TYR C . 51024 1 715 . 2 . 1 40 40 TYR CA C 13 61.28103488 0.03194171429 . . . . . . . 40 TYR CA . 51024 1 716 . 2 . 1 40 40 TYR CB C 13 36.05732116 0.06136726807 . . . . . . . 40 TYR CB . 51024 1 717 . 2 . 1 40 40 TYR N N 15 118.935057 0.05709040824 . . . . . . . 40 TYR N . 51024 1 718 . 2 . 1 41 41 CYS H H 1 8.596177514 0.006025020282 . . . . . . . 41 CYS H . 51024 1 719 . 2 . 1 41 41 CYS C C 13 176.5828725 0.00925149894 . . . . . . . 41 CYS C . 51024 1 720 . 2 . 1 41 41 CYS CA C 13 65.03447273 0.01912717285 . . . . . . . 41 CYS CA . 51024 1 721 . 2 . 1 41 41 CYS CB C 13 26.15566517 0.07370308943 . . . . . . . 41 CYS CB . 51024 1 722 . 2 . 1 41 41 CYS N N 15 117.9967666 0.08693334893 . . . . . . . 41 CYS N . 51024 1 723 . 2 . 1 42 42 ALA H H 1 8.290229365 0.00722861865 . . . . . . . 42 ALA H . 51024 1 724 . 2 . 1 42 42 ALA C C 13 178.4855635 0.0003107573771 . . . . . . . 42 ALA C . 51024 1 725 . 2 . 1 42 42 ALA CA C 13 54.87804771 0.02683240708 . . . . . . . 42 ALA CA . 51024 1 726 . 2 . 1 42 42 ALA CB C 13 16.68182059 0.05705495385 . . . . . . . 42 ALA CB . 51024 1 727 . 2 . 1 42 42 ALA N N 15 119.8612008 0.06381050252 . . . . . . . 42 ALA N . 51024 1 728 . 2 . 1 43 43 SER H H 1 8.457504978 0.004026099943 . . . . . . . 43 SER H . 51024 1 729 . 2 . 1 43 43 SER C C 13 176.8420695 0 . . . . . . . 43 SER C . 51024 1 730 . 2 . 1 43 43 SER CA C 13 63.02062332 0.04642621107 . . . . . . . 43 SER CA . 51024 1 731 . 2 . 1 43 43 SER CB C 13 63.77107585 0.05241584931 . . . . . . . 43 SER CB . 51024 1 732 . 2 . 1 43 43 SER N N 15 112.2324179 0.03496213141 . . . . . . . 43 SER N . 51024 1 733 . 2 . 1 44 44 PHE H H 1 8.287512525 0.004237814839 . . . . . . . 44 PHE H . 51024 1 734 . 2 . 1 44 44 PHE C C 13 177.7173973 0.003741879696 . . . . . . . 44 PHE C . 51024 1 735 . 2 . 1 44 44 PHE CA C 13 60.84665862 0.002909146729 . . . . . . . 44 PHE CA . 51024 1 736 . 2 . 1 44 44 PHE CB C 13 37.82520786 0.06564028761 . . . . . . . 44 PHE CB . 51024 1 737 . 2 . 1 44 44 PHE N N 15 116.2475828 0.02710305431 . . . . . . . 44 PHE N . 51024 1 738 . 2 . 1 45 45 TRP H H 1 8.408066543 0.00331298677 . . . . . . . 45 TRP H . 51024 1 739 . 2 . 1 45 45 TRP C C 13 178.8243345 0.001884579172 . . . . . . . 45 TRP C . 51024 1 740 . 2 . 1 45 45 TRP CA C 13 62.80124501 0.01600051342 . . . . . . . 45 TRP CA . 51024 1 741 . 2 . 1 45 45 TRP CB C 13 28.22357353 0.1082703494 . . . . . . . 45 TRP CB . 51024 1 742 . 2 . 1 45 45 TRP N N 15 121.1708313 0.07023179239 . . . . . . . 45 TRP N . 51024 1 743 . 2 . 1 46 46 LEU H H 1 8.629531545 0.002574162628 . . . . . . . 46 LEU H . 51024 1 744 . 2 . 1 46 46 LEU C C 13 179.0685768 0.0293766912 . . . . . . . 46 LEU C . 51024 1 745 . 2 . 1 46 46 LEU CA C 13 58.15757626 0.003696583124 . . . . . . . 46 LEU CA . 51024 1 746 . 2 . 1 46 46 LEU CB C 13 40.86782403 0.04997470472 . . . . . . . 46 LEU CB . 51024 1 747 . 2 . 1 46 46 LEU N N 15 119.0445363 0.08493826812 . . . . . . . 46 LEU N . 51024 1 748 . 2 . 1 47 47 LEU H H 1 8.6471568 0.009000185675 . . . . . . . 47 LEU H . 51024 1 749 . 2 . 1 47 47 LEU C C 13 180.1010388 0.008545765239 . . . . . . . 47 LEU C . 51024 1 750 . 2 . 1 47 47 LEU CA C 13 57.18221834 0.02819405512 . . . . . . . 47 LEU CA . 51024 1 751 . 2 . 1 47 47 LEU CB C 13 40.93592001 0.03651144207 . . . . . . . 47 LEU CB . 51024 1 752 . 2 . 1 47 47 LEU N N 15 121.2442841 0.06200766053 . . . . . . . 47 LEU N . 51024 1 753 . 2 . 1 48 48 ALA H H 1 8.758656318 0.006297956832 . . . . . . . 48 ALA H . 51024 1 754 . 2 . 1 48 48 ALA C C 13 180.55965 0.0003334861498 . . . . . . . 48 ALA C . 51024 1 755 . 2 . 1 48 48 ALA CA C 13 54.71514361 0.02343540613 . . . . . . . 48 ALA CA . 51024 1 756 . 2 . 1 48 48 ALA CB C 13 17.61285937 0.01543982423 . . . . . . . 48 ALA CB . 51024 1 757 . 2 . 1 48 48 ALA N N 15 121.24727 0.0401551941 . . . . . . . 48 ALA N . 51024 1 758 . 2 . 1 49 49 GLN H H 1 7.329441853 0.009244251155 . . . . . . . 49 GLN H . 51024 1 759 . 2 . 1 49 49 GLN C C 13 177.5669568 0.0003586880546 . . . . . . . 49 GLN C . 51024 1 760 . 2 . 1 49 49 GLN CA C 13 55.93903511 0.07206578481 . . . . . . . 49 GLN CA . 51024 1 761 . 2 . 1 49 49 GLN CB C 13 26.46397646 0.1006680529 . . . . . . . 49 GLN CB . 51024 1 762 . 2 . 1 49 49 GLN N N 15 114.9108221 0.05142315912 . . . . . . . 49 GLN N . 51024 1 763 . 2 . 1 50 50 THR H H 1 7.485691561 0.01287518171 . . . . . . . 50 THR H . 51024 1 764 . 2 . 1 50 50 THR C C 13 177.1391694 0 . . . . . . . 50 THR C . 51024 1 765 . 2 . 1 50 50 THR CA C 13 64.22586727 0.04171298846 . . . . . . . 50 THR CA . 51024 1 766 . 2 . 1 50 50 THR CB C 13 69.09238408 0.1236480634 . . . . . . . 50 THR CB . 51024 1 767 . 2 . 1 50 50 THR N N 15 107.3679394 0.07001620323 . . . . . . . 50 THR N . 51024 1 768 . 2 . 1 51 51 LEU H H 1 6.839065766 0.01387610569 . . . . . . . 51 LEU H . 51024 1 769 . 2 . 1 51 51 LEU C C 13 176.9443726 0.009732104678 . . . . . . . 51 LEU C . 51024 1 770 . 2 . 1 51 51 LEU CA C 13 55.56935692 0.04332043762 . . . . . . . 51 LEU CA . 51024 1 771 . 2 . 1 51 51 LEU CB C 13 38.55590254 0.07683348563 . . . . . . . 51 LEU CB . 51024 1 772 . 2 . 1 51 51 LEU N N 15 117.942816 0.04778471936 . . . . . . . 51 LEU N . 51024 1 773 . 2 . 1 52 52 ALA H H 1 7.06897889 0.01009720819 . . . . . . . 52 ALA H . 51024 1 774 . 2 . 1 52 52 ALA C C 13 177.1054483 0.006748372782 . . . . . . . 52 ALA C . 51024 1 775 . 2 . 1 52 52 ALA CA C 13 52.70560653 0.03491041477 . . . . . . . 52 ALA CA . 51024 1 776 . 2 . 1 52 52 ALA CB C 13 17.0145481 0.09143218253 . . . . . . . 52 ALA CB . 51024 1 777 . 2 . 1 52 52 ALA N N 15 120.2221586 0.05016865344 . . . . . . . 52 ALA N . 51024 1 778 . 2 . 1 53 53 TYR H H 1 7.547277034 0.008685844985 . . . . . . . 53 TYR H . 51024 1 779 . 2 . 1 53 53 TYR C C 13 174.449267 0.0505013873 . . . . . . . 53 TYR C . 51024 1 780 . 2 . 1 53 53 TYR CA C 13 57.95035154 0.01500770197 . . . . . . . 53 TYR CA . 51024 1 781 . 2 . 1 53 53 TYR CB C 13 41.42239242 0.06464575969 . . . . . . . 53 TYR CB . 51024 1 782 . 2 . 1 53 53 TYR N N 15 113.2222121 0.05824104969 . . . . . . . 53 TYR N . 51024 1 783 . 2 . 1 54 54 ILE H H 1 7.800047519 0.006606409616 . . . . . . . 54 ILE H . 51024 1 784 . 2 . 1 54 54 ILE C C 13 173.4327646 0 . . . . . . . 54 ILE C . 51024 1 785 . 2 . 1 54 54 ILE CA C 13 57.45343344 0 . . . . . . . 54 ILE CA . 51024 1 786 . 2 . 1 54 54 ILE CB C 13 40.07318842 0 . . . . . . . 54 ILE CB . 51024 1 787 . 2 . 1 54 54 ILE N N 15 119.3237095 0.06829828209 . . . . . . . 54 ILE N . 51024 1 788 . 2 . 1 55 55 PRO C C 13 176.9010768 0 . . . . . . . 55 PRO C . 51024 1 789 . 2 . 1 55 55 PRO CA C 13 63.1380388 0.0112755075 . . . . . . . 55 PRO CA . 51024 1 790 . 2 . 1 55 55 PRO CB C 13 32.24126905 0.0929177211 . . . . . . . 55 PRO CB . 51024 1 791 . 2 . 1 56 56 THR H H 1 9.104462019 0.008872211657 . . . . . . . 56 THR H . 51024 1 792 . 2 . 1 56 56 THR C C 13 175.9865048 0 . . . . . . . 56 THR C . 51024 1 793 . 2 . 1 56 56 THR CA C 13 66.932463 0.03472364527 . . . . . . . 56 THR CA . 51024 1 794 . 2 . 1 56 56 THR CB C 13 68.43645995 0.01550133844 . . . . . . . 56 THR CB . 51024 1 795 . 2 . 1 56 56 THR N N 15 124.095311 0.07331400269 . . . . . . . 56 THR N . 51024 1 796 . 2 . 1 57 57 GLY H H 1 9.932273202 0.005755748043 . . . . . . . 57 GLY H . 51024 1 797 . 2 . 1 57 57 GLY C C 13 175.2825773 0.007076213045 . . . . . . . 57 GLY C . 51024 1 798 . 2 . 1 57 57 GLY CA C 13 46.76485637 0.04231334383 . . . . . . . 57 GLY CA . 51024 1 799 . 2 . 1 57 57 GLY N N 15 106.6848202 0.05476106389 . . . . . . . 57 GLY N . 51024 1 800 . 2 . 1 58 58 ILE H H 1 6.468352133 0.01097322371 . . . . . . . 58 ILE H . 51024 1 801 . 2 . 1 58 58 ILE C C 13 176.7850719 0.0143467062 . . . . . . . 58 ILE C . 51024 1 802 . 2 . 1 58 58 ILE CA C 13 63.54382769 0.02760875797 . . . . . . . 58 ILE CA . 51024 1 803 . 2 . 1 58 58 ILE CB C 13 36.63063741 0.05376846748 . . . . . . . 58 ILE CB . 51024 1 804 . 2 . 1 58 58 ILE N N 15 117.9416722 0.05808007527 . . . . . . . 58 ILE N . 51024 1 805 . 2 . 1 59 59 ALA H H 1 8.326821954 0.008342969302 . . . . . . . 59 ALA H . 51024 1 806 . 2 . 1 59 59 ALA C C 13 178.7813506 0.002598683242 . . . . . . . 59 ALA C . 51024 1 807 . 2 . 1 59 59 ALA CA C 13 55.44478851 0.03168787157 . . . . . . . 59 ALA CA . 51024 1 808 . 2 . 1 59 59 ALA CB C 13 17.11168314 0.04697304234 . . . . . . . 59 ALA CB . 51024 1 809 . 2 . 1 59 59 ALA N N 15 121.9067732 0.05094460023 . . . . . . . 59 ALA N . 51024 1 810 . 2 . 1 60 60 TYR H H 1 8.364755095 0.008349896207 . . . . . . . 60 TYR H . 51024 1 811 . 2 . 1 60 60 TYR C C 13 176.8653829 0.0004993429978 . . . . . . . 60 TYR C . 51024 1 812 . 2 . 1 60 60 TYR CA C 13 62.42154149 0.0250528592 . . . . . . . 60 TYR CA . 51024 1 813 . 2 . 1 60 60 TYR CB C 13 38.98190023 0.05790404942 . . . . . . . 60 TYR CB . 51024 1 814 . 2 . 1 60 60 TYR N N 15 115.9315517 0.04944740849 . . . . . . . 60 TYR N . 51024 1 815 . 2 . 1 61 61 ALA H H 1 8.043518068 0.008278595733 . . . . . . . 61 ALA H . 51024 1 816 . 2 . 1 61 61 ALA C C 13 179.9549197 0.002091248389 . . . . . . . 61 ALA C . 51024 1 817 . 2 . 1 61 61 ALA CA C 13 55.10966167 0.02323862547 . . . . . . . 61 ALA CA . 51024 1 818 . 2 . 1 61 61 ALA CB C 13 17.4300586 0.07213417739 . . . . . . . 61 ALA CB . 51024 1 819 . 2 . 1 61 61 ALA N N 15 118.4163492 0.05366292236 . . . . . . . 61 ALA N . 51024 1 820 . 2 . 1 62 62 ILE H H 1 8.521252136 0.006673972119 . . . . . . . 62 ILE H . 51024 1 821 . 2 . 1 62 62 ILE C C 13 176.8865933 0.002595482427 . . . . . . . 62 ILE C . 51024 1 822 . 2 . 1 62 62 ILE CA C 13 65.96476793 0.02252845892 . . . . . . . 62 ILE CA . 51024 1 823 . 2 . 1 62 62 ILE CB C 13 36.86306332 0.05793613146 . . . . . . . 62 ILE CB . 51024 1 824 . 2 . 1 62 62 ILE N N 15 117.0886017 0.05858422282 . . . . . . . 62 ILE N . 51024 1 825 . 2 . 1 63 63 TRP H H 1 8.434704545 0.00853690501 . . . . . . . 63 TRP H . 51024 1 826 . 2 . 1 63 63 TRP C C 13 180.2033048 0.0006869924516 . . . . . . . 63 TRP C . 51024 1 827 . 2 . 1 63 63 TRP CA C 13 61.02556399 0.03997136458 . . . . . . . 63 TRP CA . 51024 1 828 . 2 . 1 63 63 TRP CB C 13 28.11521275 0.1016741 . . . . . . . 63 TRP CB . 51024 1 829 . 2 . 1 63 63 TRP N N 15 121.9269164 0.06708677508 . . . . . . . 63 TRP N . 51024 1 830 . 2 . 1 64 64 VAL H H 1 8.663857297 0.006231722076 . . . . . . . 64 VAL H . 51024 1 831 . 2 . 1 64 64 VAL C C 13 177.9805496 0.004435561698 . . . . . . . 64 VAL C . 51024 1 832 . 2 . 1 64 64 VAL CA C 13 64.43496393 0.03454128489 . . . . . . . 64 VAL CA . 51024 1 833 . 2 . 1 64 64 VAL CB C 13 31.33650036 0.06273752028 . . . . . . . 64 VAL CB . 51024 1 834 . 2 . 1 64 64 VAL N N 15 120.2698714 0.08194822799 . . . . . . . 64 VAL N . 51024 1 835 . 2 . 1 65 65 GLY H H 1 8.604299928 0.008070271527 . . . . . . . 65 GLY H . 51024 1 836 . 2 . 1 65 65 GLY C C 13 175.182769 0.01749312131 . . . . . . . 65 GLY C . 51024 1 837 . 2 . 1 65 65 GLY CA C 13 47.06396538 0.02947207571 . . . . . . . 65 GLY CA . 51024 1 838 . 2 . 1 65 65 GLY N N 15 108.1820276 0.0651466989 . . . . . . . 65 GLY N . 51024 1 839 . 2 . 1 66 66 VAL H H 1 9.028259869 0.007495241464 . . . . . . . 66 VAL H . 51024 1 840 . 2 . 1 66 66 VAL C C 13 177.914548 0.000524846756 . . . . . . . 66 VAL C . 51024 1 841 . 2 . 1 66 66 VAL CA C 13 66.11461548 0.04668582853 . . . . . . . 66 VAL CA . 51024 1 842 . 2 . 1 66 66 VAL CB C 13 29.17164319 0.03856084868 . . . . . . . 66 VAL CB . 51024 1 843 . 2 . 1 66 66 VAL N N 15 120.1944641 0.0464365481 . . . . . . . 66 VAL N . 51024 1 844 . 2 . 1 67 67 GLY H H 1 7.028534203 0.01252723048 . . . . . . . 67 GLY H . 51024 1 845 . 2 . 1 67 67 GLY C C 13 174.5590878 0.0004930081156 . . . . . . . 67 GLY C . 51024 1 846 . 2 . 1 67 67 GLY CA C 13 47.267852 0.02851403146 . . . . . . . 67 GLY CA . 51024 1 847 . 2 . 1 67 67 GLY N N 15 106.4082519 0.06519497242 . . . . . . . 67 GLY N . 51024 1 848 . 2 . 1 68 68 ILE H H 1 7.898133495 0.009091493283 . . . . . . . 68 ILE H . 51024 1 849 . 2 . 1 68 68 ILE C C 13 178.9180445 0.001147784976 . . . . . . . 68 ILE C . 51024 1 850 . 2 . 1 68 68 ILE CA C 13 64.44547059 0.02525036174 . . . . . . . 68 ILE CA . 51024 1 851 . 2 . 1 68 68 ILE CB C 13 36.6277819 0.09501486071 . . . . . . . 68 ILE CB . 51024 1 852 . 2 . 1 68 68 ILE N N 15 120.9231051 0.06559699715 . . . . . . . 68 ILE N . 51024 1 853 . 2 . 1 69 69 VAL H H 1 7.701051085 0.008008230627 . . . . . . . 69 VAL H . 51024 1 854 . 2 . 1 69 69 VAL C C 13 177.0355435 0.02726942457 . . . . . . . 69 VAL C . 51024 1 855 . 2 . 1 69 69 VAL CA C 13 66.98166556 0.02248722002 . . . . . . . 69 VAL CA . 51024 1 856 . 2 . 1 69 69 VAL CB C 13 30.66051686 0.06231176464 . . . . . . . 69 VAL CB . 51024 1 857 . 2 . 1 69 69 VAL N N 15 122.4891001 0.04880960309 . . . . . . . 69 VAL N . 51024 1 858 . 2 . 1 70 70 LEU H H 1 8.238061118 0.008316146424 . . . . . . . 70 LEU H . 51024 1 859 . 2 . 1 70 70 LEU C C 13 179.031338 0.0003498672218 . . . . . . . 70 LEU C . 51024 1 860 . 2 . 1 70 70 LEU CA C 13 57.86571866 0.06411111882 . . . . . . . 70 LEU CA . 51024 1 861 . 2 . 1 70 70 LEU CB C 13 40.92908815 0.08969577809 . . . . . . . 70 LEU CB . 51024 1 862 . 2 . 1 70 70 LEU N N 15 117.5193022 0.08243916828 . . . . . . . 70 LEU N . 51024 1 863 . 2 . 1 71 71 ILE H H 1 8.692392476 0.007968442396 . . . . . . . 71 ILE H . 51024 1 864 . 2 . 1 71 71 ILE C C 13 178.8283374 0.01610493105 . . . . . . . 71 ILE C . 51024 1 865 . 2 . 1 71 71 ILE CA C 13 64.42417244 0.04353181453 . . . . . . . 71 ILE CA . 51024 1 866 . 2 . 1 71 71 ILE CB C 13 36.73627069 0.08167233883 . . . . . . . 71 ILE CB . 51024 1 867 . 2 . 1 71 71 ILE N N 15 119.5228188 0.04670868325 . . . . . . . 71 ILE N . 51024 1 868 . 2 . 1 72 72 SER H H 1 8.041997016 0.007196898713 . . . . . . . 72 SER H . 51024 1 869 . 2 . 1 72 72 SER C C 13 176.4588165 0 . . . . . . . 72 SER C . 51024 1 870 . 2 . 1 72 72 SER CA C 13 62.89543717 0.009046780641 . . . . . . . 72 SER CA . 51024 1 871 . 2 . 1 72 72 SER CB C 13 62.53827942 0.03045338171 . . . . . . . 72 SER CB . 51024 1 872 . 2 . 1 72 72 SER N N 15 119.2094691 0.06647427546 . . . . . . . 72 SER N . 51024 1 873 . 2 . 1 73 73 LEU H H 1 8.131928687 0.00671186662 . . . . . . . 73 LEU H . 51024 1 874 . 2 . 1 73 73 LEU C C 13 179.3118541 0.008989982209 . . . . . . . 73 LEU C . 51024 1 875 . 2 . 1 73 73 LEU CA C 13 57.84498928 0.04475333472 . . . . . . . 73 LEU CA . 51024 1 876 . 2 . 1 73 73 LEU CB C 13 41.31986669 0.0915369109 . . . . . . . 73 LEU CB . 51024 1 877 . 2 . 1 73 73 LEU N N 15 121.1449293 0.06268672743 . . . . . . . 73 LEU N . 51024 1 878 . 2 . 1 74 74 LEU H H 1 8.679082014 0.00647763317 . . . . . . . 74 LEU H . 51024 1 879 . 2 . 1 74 74 LEU C C 13 179.3341492 0.009609139311 . . . . . . . 74 LEU C . 51024 1 880 . 2 . 1 74 74 LEU CA C 13 58.00560051 0.02591059309 . . . . . . . 74 LEU CA . 51024 1 881 . 2 . 1 74 74 LEU CB C 13 41.18711355 0.07593122184 . . . . . . . 74 LEU CB . 51024 1 882 . 2 . 1 74 74 LEU N N 15 120.0789519 0.05976989737 . . . . . . . 74 LEU N . 51024 1 883 . 2 . 1 75 75 SER H H 1 8.535687998 0.005808820533 . . . . . . . 75 SER H . 51024 1 884 . 2 . 1 75 75 SER C C 13 176.6317788 0 . . . . . . . 75 SER C . 51024 1 885 . 2 . 1 75 75 SER CA C 13 62.08505343 0.06782525562 . . . . . . . 75 SER CA . 51024 1 886 . 2 . 1 75 75 SER N N 15 117.0533206 0.05444402989 . . . . . . . 75 SER N . 51024 1 887 . 2 . 1 76 76 TRP H H 1 7.818404439 0.009371956714 . . . . . . . 76 TRP H . 51024 1 888 . 2 . 1 76 76 TRP C C 13 177.8934057 0.003811320718 . . . . . . . 76 TRP C . 51024 1 889 . 2 . 1 76 76 TRP CA C 13 58.93017071 0.03007862548 . . . . . . . 76 TRP CA . 51024 1 890 . 2 . 1 76 76 TRP CB C 13 28.33966815 0.04071802951 . . . . . . . 76 TRP CB . 51024 1 891 . 2 . 1 76 76 TRP N N 15 124.4974754 0.0650528608 . . . . . . . 76 TRP N . 51024 1 892 . 2 . 1 77 77 GLY H H 1 8.666364703 0.004881211418 . . . . . . . 77 GLY H . 51024 1 893 . 2 . 1 77 77 GLY C C 13 173.5582355 0.002890378396 . . . . . . . 77 GLY C . 51024 1 894 . 2 . 1 77 77 GLY CA C 13 46.74109133 0.06730046042 . . . . . . . 77 GLY CA . 51024 1 895 . 2 . 1 77 77 GLY N N 15 105.296751 0.06909439239 . . . . . . . 77 GLY N . 51024 1 896 . 2 . 1 78 78 PHE H H 1 8.206994066 0.01081497487 . . . . . . . 78 PHE H . 51024 1 897 . 2 . 1 78 78 PHE C C 13 176.1215788 0.006126163307 . . . . . . . 78 PHE C . 51024 1 898 . 2 . 1 78 78 PHE CA C 13 58.2317203 0.03639146342 . . . . . . . 78 PHE CA . 51024 1 899 . 2 . 1 78 78 PHE CB C 13 40.00776835 0.03045574464 . . . . . . . 78 PHE CB . 51024 1 900 . 2 . 1 78 78 PHE N N 15 113.3230533 0.0379960504 . . . . . . . 78 PHE N . 51024 1 901 . 2 . 1 79 79 PHE H H 1 7.191734118 0.009179778274 . . . . . . . 79 PHE H . 51024 1 902 . 2 . 1 79 79 PHE C C 13 176.9246373 0.0100523896 . . . . . . . 79 PHE C . 51024 1 903 . 2 . 1 79 79 PHE CA C 13 56.56869498 0.02615236484 . . . . . . . 79 PHE CA . 51024 1 904 . 2 . 1 79 79 PHE CB C 13 38.69578656 0.0457850664 . . . . . . . 79 PHE CB . 51024 1 905 . 2 . 1 79 79 PHE N N 15 114.1224107 0.0608970667 . . . . . . . 79 PHE N . 51024 1 906 . 2 . 1 80 80 GLY H H 1 7.925406583 0.002091304933 . . . . . . . 80 GLY H . 51024 1 907 . 2 . 1 80 80 GLY C C 13 174.6563245 0.005727301727 . . . . . . . 80 GLY C . 51024 1 908 . 2 . 1 80 80 GLY CA C 13 46.39328634 0.05801797576 . . . . . . . 80 GLY CA . 51024 1 909 . 2 . 1 80 80 GLY N N 15 108.9269247 0.07203477974 . . . . . . . 80 GLY N . 51024 1 910 . 2 . 1 81 81 GLN H H 1 7.744381267 0.008286785248 . . . . . . . 81 GLN H . 51024 1 911 . 2 . 1 81 81 GLN C C 13 175.0014533 0.004143614268 . . . . . . . 81 GLN C . 51024 1 912 . 2 . 1 81 81 GLN CA C 13 55.00955467 0.03030501631 . . . . . . . 81 GLN CA . 51024 1 913 . 2 . 1 81 81 GLN CB C 13 28.32282783 0.06425756551 . . . . . . . 81 GLN CB . 51024 1 914 . 2 . 1 81 81 GLN N N 15 120.4616221 0.04473100814 . . . . . . . 81 GLN N . 51024 1 915 . 2 . 1 82 82 ARG H H 1 8.241864368 0.003305233777 . . . . . . . 82 ARG H . 51024 1 916 . 2 . 1 82 82 ARG C C 13 176.5241264 0.01396894194 . . . . . . . 82 ARG C . 51024 1 917 . 2 . 1 82 82 ARG CA C 13 55.81387067 0.03282794302 . . . . . . . 82 ARG CA . 51024 1 918 . 2 . 1 82 82 ARG CB C 13 30.04744047 0.06630534283 . . . . . . . 82 ARG CB . 51024 1 919 . 2 . 1 82 82 ARG N N 15 123.9865434 0.06851371686 . . . . . . . 82 ARG N . 51024 1 920 . 2 . 1 83 83 LEU H H 1 8.051570159 0.003481195913 . . . . . . . 83 LEU H . 51024 1 921 . 2 . 1 83 83 LEU C C 13 174.5741102 0.002748374884 . . . . . . . 83 LEU C . 51024 1 922 . 2 . 1 83 83 LEU CA C 13 53.75503806 0.02570961807 . . . . . . . 83 LEU CA . 51024 1 923 . 2 . 1 83 83 LEU CB C 13 41.90011177 0.06656628946 . . . . . . . 83 LEU CB . 51024 1 924 . 2 . 1 83 83 LEU N N 15 124.3254832 0.06855685525 . . . . . . . 83 LEU N . 51024 1 925 . 2 . 1 84 84 ASP H H 1 7.466662558 0.01010848974 . . . . . . . 84 ASP H . 51024 1 926 . 2 . 1 84 84 ASP C C 13 175.3676653 0.01833172795 . . . . . . . 84 ASP C . 51024 1 927 . 2 . 1 84 84 ASP CA C 13 51.02813478 0.03594675747 . . . . . . . 84 ASP CA . 51024 1 928 . 2 . 1 84 84 ASP CB C 13 41.80732029 0.08147625902 . . . . . . . 84 ASP CB . 51024 1 929 . 2 . 1 84 84 ASP N N 15 120.527501 0.04867950165 . . . . . . . 84 ASP N . 51024 1 930 . 2 . 1 85 85 LEU H H 1 8.731697137 0.003435514861 . . . . . . . 85 LEU H . 51024 1 931 . 2 . 1 85 85 LEU C C 13 175.9496764 0 . . . . . . . 85 LEU C . 51024 1 932 . 2 . 1 85 85 LEU CA C 13 59.32728981 0 . . . . . . . 85 LEU CA . 51024 1 933 . 2 . 1 85 85 LEU CB C 13 38.2074978 0 . . . . . . . 85 LEU CB . 51024 1 934 . 2 . 1 85 85 LEU N N 15 118.7742687 0.06831448527 . . . . . . . 85 LEU N . 51024 1 935 . 2 . 1 86 86 PRO C C 13 177.8734308 0 . . . . . . . 86 PRO C . 51024 1 936 . 2 . 1 86 86 PRO CA C 13 66.11103386 0.01886259631 . . . . . . . 86 PRO CA . 51024 1 937 . 2 . 1 86 86 PRO CB C 13 30.69643975 0.06981955913 . . . . . . . 86 PRO CB . 51024 1 938 . 2 . 1 87 87 ALA H H 1 7.490067886 0.008784442949 . . . . . . . 87 ALA H . 51024 1 939 . 2 . 1 87 87 ALA C C 13 179.3746456 0.00695593049 . . . . . . . 87 ALA C . 51024 1 940 . 2 . 1 87 87 ALA CA C 13 55.37828124 0.02281634275 . . . . . . . 87 ALA CA . 51024 1 941 . 2 . 1 87 87 ALA CB C 13 17.26874301 0.0254390804 . . . . . . . 87 ALA CB . 51024 1 942 . 2 . 1 87 87 ALA N N 15 117.7568462 0.05779506586 . . . . . . . 87 ALA N . 51024 1 943 . 2 . 1 88 88 ILE H H 1 7.948418965 0.007256618623 . . . . . . . 88 ILE H . 51024 1 944 . 2 . 1 88 88 ILE C C 13 178.3222924 0.004862822652 . . . . . . . 88 ILE C . 51024 1 945 . 2 . 1 88 88 ILE CA C 13 64.59656748 0.03267160437 . . . . . . . 88 ILE CA . 51024 1 946 . 2 . 1 88 88 ILE CB C 13 36.81344213 0.05752642479 . . . . . . . 88 ILE CB . 51024 1 947 . 2 . 1 88 88 ILE N N 15 118.0057865 0.05706956716 . . . . . . . 88 ILE N . 51024 1 948 . 2 . 1 89 89 ILE H H 1 8.670345247 0.005918183855 . . . . . . . 89 ILE H . 51024 1 949 . 2 . 1 89 89 ILE C C 13 178.4201932 0.01030306619 . . . . . . . 89 ILE C . 51024 1 950 . 2 . 1 89 89 ILE CA C 13 64.38683159 0.05949885823 . . . . . . . 89 ILE CA . 51024 1 951 . 2 . 1 89 89 ILE CB C 13 36.08790385 0 . . . . . . . 89 ILE CB . 51024 1 952 . 2 . 1 89 89 ILE N N 15 119.5510254 0.068206122 . . . . . . . 89 ILE N . 51024 1 953 . 2 . 1 90 90 GLY H H 1 8.831029917 0.008883782028 . . . . . . . 90 GLY H . 51024 1 954 . 2 . 1 90 90 GLY C C 13 175.5338699 0.01016729109 . . . . . . . 90 GLY C . 51024 1 955 . 2 . 1 90 90 GLY CA C 13 47.60554472 0.04725425018 . . . . . . . 90 GLY CA . 51024 1 956 . 2 . 1 90 90 GLY N N 15 107.4885635 0.009027934129 . . . . . . . 90 GLY N . 51024 1 957 . 2 . 1 91 91 MET H H 1 8.541502342 0.007897887084 . . . . . . . 91 MET H . 51024 1 958 . 2 . 1 91 91 MET C C 13 178.4429127 0.0498024762 . . . . . . . 91 MET C . 51024 1 959 . 2 . 1 91 91 MET CA C 13 59.79377526 0.02336128433 . . . . . . . 91 MET CA . 51024 1 960 . 2 . 1 91 91 MET CB C 13 33.24550877 0.06942649308 . . . . . . . 91 MET CB . 51024 1 961 . 2 . 1 91 91 MET N N 15 119.7424058 0.0566929117 . . . . . . . 91 MET N . 51024 1 962 . 2 . 1 92 92 MET H H 1 8.426569713 0.007022577519 . . . . . . . 92 MET H . 51024 1 963 . 2 . 1 92 92 MET C C 13 177.9319454 0.01285024019 . . . . . . . 92 MET C . 51024 1 964 . 2 . 1 92 92 MET CA C 13 59.4640848 0.01714568874 . . . . . . . 92 MET CA . 51024 1 965 . 2 . 1 92 92 MET CB C 13 31.77627896 0.081326361 . . . . . . . 92 MET CB . 51024 1 966 . 2 . 1 92 92 MET N N 15 119.5680857 0.06487495434 . . . . . . . 92 MET N . 51024 1 967 . 2 . 1 93 93 LEU H H 1 8.293691493 0.008235316073 . . . . . . . 93 LEU H . 51024 1 968 . 2 . 1 93 93 LEU C C 13 178.5536205 0.02555861409 . . . . . . . 93 LEU C . 51024 1 969 . 2 . 1 93 93 LEU CB C 13 39.87674578 0.1025738402 . . . . . . . 93 LEU CB . 51024 1 970 . 2 . 1 93 93 LEU N N 15 119.4386885 0.07112634779 . . . . . . . 93 LEU N . 51024 1 971 . 2 . 1 94 94 ILE H H 1 7.775410547 0.009354432553 . . . . . . . 94 ILE H . 51024 1 972 . 2 . 1 94 94 ILE C C 13 177.7729245 0.01151850492 . . . . . . . 94 ILE C . 51024 1 973 . 2 . 1 94 94 ILE CB C 13 37.31215216 0.1077776699 . . . . . . . 94 ILE CB . 51024 1 974 . 2 . 1 94 94 ILE N N 15 117.8986332 0.03231372778 . . . . . . . 94 ILE N . 51024 1 975 . 2 . 1 95 95 CYS H H 1 8.122584365 0.01071153843 . . . . . . . 95 CYS H . 51024 1 976 . 2 . 1 95 95 CYS C C 13 176.2333306 0.00321771919 . . . . . . . 95 CYS C . 51024 1 977 . 2 . 1 95 95 CYS CA C 13 64.34100184 0.02855787827 . . . . . . . 95 CYS CA . 51024 1 978 . 2 . 1 95 95 CYS CB C 13 26.28352627 0.04512369966 . . . . . . . 95 CYS CB . 51024 1 979 . 2 . 1 95 95 CYS N N 15 116.1904374 0.03626553488 . . . . . . . 95 CYS N . 51024 1 980 . 2 . 1 96 96 ALA H H 1 8.639455118 0.008960312875 . . . . . . . 96 ALA H . 51024 1 981 . 2 . 1 96 96 ALA C C 13 178.7662659 0.01247803875 . . . . . . . 96 ALA C . 51024 1 982 . 2 . 1 96 96 ALA CA C 13 54.84744259 0.01942802042 . . . . . . . 96 ALA CA . 51024 1 983 . 2 . 1 96 96 ALA CB C 13 17.06488853 0.05181713535 . . . . . . . 96 ALA CB . 51024 1 984 . 2 . 1 96 96 ALA N N 15 120.2245779 0.04069736521 . . . . . . . 96 ALA N . 51024 1 985 . 2 . 1 97 97 GLY H H 1 8.441495219 0.009624261776 . . . . . . . 97 GLY H . 51024 1 986 . 2 . 1 97 97 GLY C C 13 174.9726635 0.0002263485267 . . . . . . . 97 GLY C . 51024 1 987 . 2 . 1 97 97 GLY CA C 13 48.60518771 0.06779516464 . . . . . . . 97 GLY CA . 51024 1 988 . 2 . 1 97 97 GLY N N 15 105.713999 0.05698214479 . . . . . . . 97 GLY N . 51024 1 989 . 2 . 1 98 98 VAL H H 1 8.197607991 0.007842779519 . . . . . . . 98 VAL H . 51024 1 990 . 2 . 1 98 98 VAL C C 13 177.6401204 0.008541690053 . . . . . . . 98 VAL C . 51024 1 991 . 2 . 1 98 98 VAL CA C 13 66.75352343 0.02158098399 . . . . . . . 98 VAL CA . 51024 1 992 . 2 . 1 98 98 VAL CB C 13 30.68342976 0.05148878578 . . . . . . . 98 VAL CB . 51024 1 993 . 2 . 1 98 98 VAL N N 15 120.2238 0.05498125424 . . . . . . . 98 VAL N . 51024 1 994 . 2 . 1 99 99 LEU H H 1 8.034762969 0.006525563239 . . . . . . . 99 LEU H . 51024 1 995 . 2 . 1 99 99 LEU C C 13 178.202705 0.01389744475 . . . . . . . 99 LEU C . 51024 1 996 . 2 . 1 99 99 LEU CA C 13 58.19479107 0.03603792745 . . . . . . . 99 LEU CA . 51024 1 997 . 2 . 1 99 99 LEU CB C 13 41.01834169 0.06455901247 . . . . . . . 99 LEU CB . 51024 1 998 . 2 . 1 99 99 LEU N N 15 119.6837136 0.03095073703 . . . . . . . 99 LEU N . 51024 1 999 . 2 . 1 100 100 ILE H H 1 8.402870901 0.007981117337 . . . . . . . 100 ILE H . 51024 1 1000 . 2 . 1 100 100 ILE C C 13 177.7255238 0.01529357866 . . . . . . . 100 ILE C . 51024 1 1001 . 2 . 1 100 100 ILE CA C 13 65.71123479 0.001784796324 . . . . . . . 100 ILE CA . 51024 1 1002 . 2 . 1 100 100 ILE CB C 13 37.37289763 0.0219570264 . . . . . . . 100 ILE CB . 51024 1 1003 . 2 . 1 100 100 ILE N N 15 119.0083126 0.04923972597 . . . . . . . 100 ILE N . 51024 1 1004 . 2 . 1 101 101 ILE H H 1 7.789531737 0.00866816063 . . . . . . . 101 ILE H . 51024 1 1005 . 2 . 1 101 101 ILE C C 13 177.5363772 0.02449633423 . . . . . . . 101 ILE C . 51024 1 1006 . 2 . 1 101 101 ILE CA C 13 65.68119866 0.02602487243 . . . . . . . 101 ILE CA . 51024 1 1007 . 2 . 1 101 101 ILE CB C 13 37.64454103 0.0239809579 . . . . . . . 101 ILE CB . 51024 1 1008 . 2 . 1 101 101 ILE N N 15 118.5139072 0.08694996409 . . . . . . . 101 ILE N . 51024 1 1009 . 2 . 1 102 102 ASN H H 1 8.100382968 0.005066756701 . . . . . . . 102 ASN H . 51024 1 1010 . 2 . 1 102 102 ASN C C 13 176.4875556 0.002686171974 . . . . . . . 102 ASN C . 51024 1 1011 . 2 . 1 102 102 ASN CA C 13 56.6243156 0.03003845192 . . . . . . . 102 ASN CA . 51024 1 1012 . 2 . 1 102 102 ASN CB C 13 39.6198757 0.04745272269 . . . . . . . 102 ASN CB . 51024 1 1013 . 2 . 1 102 102 ASN N N 15 115.1964957 0.03922835832 . . . . . . . 102 ASN N . 51024 1 1014 . 2 . 1 103 103 LEU H H 1 8.448693917 0.007053177596 . . . . . . . 103 LEU H . 51024 1 1015 . 2 . 1 103 103 LEU C C 13 178.3099942 0.004185130605 . . . . . . . 103 LEU C . 51024 1 1016 . 2 . 1 103 103 LEU CA C 13 56.21245372 0.04533761417 . . . . . . . 103 LEU CA . 51024 1 1017 . 2 . 1 103 103 LEU CB C 13 42.1406262 0.08323363833 . . . . . . . 103 LEU CB . 51024 1 1018 . 2 . 1 103 103 LEU N N 15 114.5250073 0.0341449051 . . . . . . . 103 LEU N . 51024 1 1019 . 2 . 1 104 104 LEU H H 1 7.768052676 0.007414823737 . . . . . . . 104 LEU H . 51024 1 1020 . 2 . 1 104 104 LEU C C 13 177.0987809 0.01386723129 . . . . . . . 104 LEU C . 51024 1 1021 . 2 . 1 104 104 LEU CA C 13 54.65644781 0.03366609097 . . . . . . . 104 LEU CA . 51024 1 1022 . 2 . 1 104 104 LEU CB C 13 43.62747049 0.08893346129 . . . . . . . 104 LEU CB . 51024 1 1023 . 2 . 1 104 104 LEU N N 15 114.1298366 0.05637277664 . . . . . . . 104 LEU N . 51024 1 1024 . 2 . 1 105 105 SER H H 1 7.528941458 0.009677371869 . . . . . . . 105 SER H . 51024 1 1025 . 2 . 1 105 105 SER C C 13 176.25785 0 . . . . . . . 105 SER C . 51024 1 1026 . 2 . 1 105 105 SER CA C 13 58.00535181 0.02748391657 . . . . . . . 105 SER CA . 51024 1 1027 . 2 . 1 105 105 SER CB C 13 63.98080213 0.01592944502 . . . . . . . 105 SER CB . 51024 1 1028 . 2 . 1 105 105 SER N N 15 111.8963462 0.03797257273 . . . . . . . 105 SER N . 51024 1 1029 . 2 . 1 106 106 ARG H H 1 10.03753372 0.002886672252 . . . . . . . 106 ARG H . 51024 1 1030 . 2 . 1 106 106 ARG C C 13 177.0943352 0.0224326603 . . . . . . . 106 ARG C . 51024 1 1031 . 2 . 1 106 106 ARG CA C 13 54.697817 0.01852660268 . . . . . . . 106 ARG CA . 51024 1 1032 . 2 . 1 106 106 ARG CB C 13 29.42116533 0.107850653 . . . . . . . 106 ARG CB . 51024 1 1033 . 2 . 1 106 106 ARG N N 15 129.0809353 0.059335084 . . . . . . . 106 ARG N . 51024 1 1034 . 2 . 1 107 107 SER H H 1 8.440189499 0.003323873403 . . . . . . . 107 SER H . 51024 1 1035 . 2 . 1 107 107 SER C C 13 173.4773509 0 . . . . . . . 107 SER C . 51024 1 1036 . 2 . 1 107 107 SER CA C 13 59.87487128 0.0300340813 . . . . . . . 107 SER CA . 51024 1 1037 . 2 . 1 107 107 SER CB C 13 63.15128601 0.06578702175 . . . . . . . 107 SER CB . 51024 1 1038 . 2 . 1 107 107 SER N N 15 117.729497 0.03902747211 . . . . . . . 107 SER N . 51024 1 1039 . 2 . 1 108 108 THR H H 1 7.684627627 0.01472034308 . . . . . . . 108 THR H . 51024 1 1040 . 2 . 1 108 108 THR C C 13 172.611096 0 . . . . . . . 108 THR C . 51024 1 1041 . 2 . 1 108 108 THR CA C 13 58.25403581 0 . . . . . . . 108 THR CA . 51024 1 1042 . 2 . 1 108 108 THR CB C 13 69.29689546 0 . . . . . . . 108 THR CB . 51024 1 1043 . 2 . 1 108 108 THR N N 15 114.2603604 0.02006636601 . . . . . . . 108 THR N . 51024 1 1044 . 2 . 1 109 109 PRO C C 13 175.8466481 0 . . . . . . . 109 PRO C . 51024 1 1045 . 2 . 1 109 109 PRO CA C 13 63.17623787 0.03050418922 . . . . . . . 109 PRO CA . 51024 1 1046 . 2 . 1 109 109 PRO CB C 13 31.04995339 0.03492464711 . . . . . . . 109 PRO CB . 51024 1 1047 . 2 . 1 110 110 HIS H H 1 7.749401389 0.0122052244 . . . . . . . 110 HIS H . 51024 1 1048 . 2 . 1 110 110 HIS C C 13 178.7916155 0 . . . . . . . 110 HIS C . 51024 1 1049 . 2 . 1 110 110 HIS CA C 13 56.81174702 0 . . . . . . . 110 HIS CA . 51024 1 1050 . 2 . 1 110 110 HIS CB C 13 29.91059804 0 . . . . . . . 110 HIS CB . 51024 1 1051 . 2 . 1 110 110 HIS N N 15 123.5297031 0.01583846381 . . . . . . . 110 HIS N . 51024 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 51024 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D HNCA' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 899.7540283 6.202091636 11.99925253 circular true true 2 ppm 15N 91.18099976 33.23393017 132.9979542 circular true false 3 ppm 13C 226.2550049 28.69994351 70.88096617 circular true false _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 164 168 310567115 . 13606315 . 8.365340735 . 122.4065407 . 54.73512858 . A 2 ASN H A 2 ASN N A 1 MET CA 165 169 515207983 . 22380716 . 8.365758221 . 122.398396 . 51.21884391 . A 2 ASN H A 2 ASN N A 2 ASN CA 247 251 74945255.25 . 3252158.25 . 8.012379153 . 116.1633657 . 64.44777326 . A 4 TYR H A 4 TYR N A 3 PRO CA 248 252 209594685 . 9116244 . 8.010935389 . 116.2083873 . 61.00694372 . A 4 TYR H A 4 TYR N A 4 TYR CA 389 395 192063165.5 . 8192583.5 . 7.775619683 . 120.353237 . 64.28910859 . A 5 ILE H A 5 ILE N A 5 ILE CA 390 396 78961956.25 . 3440638.5 . 7.778719596 . 120.3515204 . 61.01277617 . A 5 ILE H A 5 ILE N A 4 TYR CA 368 373 189887088.5 . 8089443 . 7.156131104 . 119.1326676 . 61.03909656 . A 6 TYR H A 6 TYR N A 6 TYR CA 367 372 63823840.88 . 2766268.5 . 7.156963306 . 119.0849309 . 64.31417691 . A 6 TYR H A 6 TYR N A 5 ILE CA 273 277 88839580.5 . 3807367.25 . 7.889431833 . 119.8560785 . 61.02819973 . A 7 LEU H A 7 LEU N A 6 TYR CA 271 275 288485429 . 12540142 . 7.88964696 . 119.9056624 . 57.4102712 . A 7 LEU H A 7 LEU N A 7 LEU CA 65 67 325957457 . 14386967 . 8.700362746 . 106.5512616 . 47.24039495 . A 8 GLY H A 8 GLY N A 8 GLY CA 64 66 100298211.2 . 4395345 . 8.701772185 . 106.5295722 . 57.42002157 . A 8 GLY H A 8 GLY N A 7 LEU CA 41 42 320512355 . 13864347 . 8.802508529 . 109.5812427 . 47.41888688 . A 9 GLY H A 9 GLY N A 9 GLY CA 29 30 140488916.5 . 6131338 . 8.930394801 . 124.9488537 . 47.47949706 . A 10 ALA H A 10 ALA N A 9 GLY CA 26 27 401794527 . 17327468 . 8.931611669 . 124.9862739 . 55.3957957 . A 10 ALA H A 10 ALA N A 10 ALA CA 81 84 69431403.75 . 2972684.75 . 8.637901532 . 122.1175349 . 55.37382262 . A 11 ILE H A 11 ILE N A 10 ALA CA 80 83 221258821.5 . 9618804 . 8.635776931 . 122.1488075 . 64.48403121 . A 11 ILE H A 11 ILE N A 11 ILE CA 156 160 72008578 . 3008516.5 . 8.430198984 . 121.2357009 . 64.45014948 . A 12 LEU H A 12 LEU N A 11 ILE CA 155 159 305982868 . 13040822 . 8.431797258 . 121.0317739 . 58.21263337 . A 12 LEU H A 12 LEU N A 12 LEU CA 100 103 362158502 . 15974617 . 8.562832373 . 119.6772635 . 55.50035851 . A 13 ALA H A 13 ALA N A 13 ALA CA 101 104 131787388.2 . 5809000 . 8.562471074 . 119.6886206 . 58.21391223 . A 13 ALA H A 13 ALA N A 12 LEU CA 270 274 112607715.2 . 4965626 . 7.904806279 . 119.9805209 . 55.46660959 . A 14 GLU H A 14 GLU N A 13 ALA CA 272 276 302580551 . 13157726 . 7.905411807 . 119.9998256 . 58.54956474 . A 14 GLU H A 14 GLU N A 14 GLU CA 116 119 274134692 . 11954998 . 8.50619113 . 121.5425814 . 65.24675467 . A 15 VAL H A 15 VAL N A 15 VAL CA 118 121 106723343.5 . 4674486 . 8.50587208 . 121.5320557 . 58.55050602 . A 15 VAL H A 15 VAL N A 14 GLU CA 57 59 110875711 . 4878295 . 8.736383129 . 122.2078996 . 65.25173545 . A 16 ILE H A 16 ILE N A 15 VAL CA 56 58 293744475 . 12798511 . 8.737256261 . 122.2118197 . 64.40228889 . A 16 ILE H A 16 ILE N A 16 ILE CA 112 115 113012436.5 . 4908191.5 . 8.533508139 . 108.1167985 . 64.38214782 . A 17 GLY H A 17 GLY N A 16 ILE CA 111 114 342719875 . 15106030 . 8.535562609 . 108.1574254 . 47.44397265 . A 17 GLY H A 17 GLY N A 17 GLY CA 395 401 30075418.06 . 1263320.75 . 7.591549057 . 116.602858 . 47.39043616 . A 18 THR H A 18 THR N A 17 GLY CA 394 400 61249671.38 . 2737437.5 . 7.57591475 . 116.6059072 . 66.08723165 . A 18 THR H A 18 THR N A 18 THR CA 335 340 170928999 . 7356219.5 . 7.512264228 . 117.2876229 . 67.02093625 . A 19 THR H A 19 THR N A 19 THR CA 396 402 108170634.1 . 4236154 . 7.513971294 . 117.320459 . 66.07517866 . A 19 THR H A 19 THR N A 18 THR CA 115 118 87514169 . 3802009 . 8.538341483 . 121.5736201 . 67.02468645 . A 20 LEU H A 20 LEU N A 19 THR CA 117 120 352684020 . 15464278 . 8.536751061 . 121.6275372 . 57.70522529 . A 20 LEU H A 20 LEU N A 20 LEU CA 239 243 110948698 . 4817376.5 . 8.056071307 . 121.392409 . 57.7007646 . A 21 MET H A 21 MET N A 20 LEU CA 240 244 375248586 . 16417890 . 8.056068032 . 121.4203477 . 59.36836262 . A 21 MET H A 21 MET N A 21 MET CA 321 325 386367703 . 16840904 . 7.580797668 . 124.7549189 . 59.5254178 . A 22 LYS H A 22 LYS N A 22 LYS CA 343 348 366541375 . 15708273 . 7.488463039 . 118.9364475 . 59.83367272 . A 23 PHE H A 23 PHE N A 23 PHE CA 255 259 105955063 . 4647835 . 7.97747997 . 113.6459108 . 59.81501948 . A 24 SER H A 24 SER N A 23 PHE CA 254 258 289088204 . 12576346 . 7.980555449 . 113.6332742 . 60.559125 . A 24 SER H A 24 SER N A 24 SER CA 310 314 532025759 . 23180696 . 7.730891519 . 121.2163969 . 55.99822218 . A 25 GLU H A 25 GLU N A 25 GLU CA 311 315 157787463.5 . 6899127.5 . 7.731222876 . 121.1903438 . 60.54681374 . A 25 GLU H A 25 GLU N A 24 SER CA 5 6 105693624 . 4638602 . 9.420282084 . 112.0134469 . 55.98534003 . A 26 GLY H A 26 GLY N A 25 GLU CA 6 7 357022786 . 15648933 . 9.419626861 . 112.0036167 . 46.00981005 . A 26 GLY H A 26 GLY N A 26 GLY CA 257 261 100962116.5 . 4400963 . 7.940918655 . 113.8069508 . 46.01282481 . A 27 PHE H A 27 PHE N A 26 GLY CA 259 263 230102164 . 9882803 . 7.942902234 . 113.8407317 . 59.54824938 . A 27 PHE H A 27 PHE N A 27 PHE CA 386 391 144065443.5 . 6173308.5 . 7.57593987 . 102.2575454 . 62.04299574 . A 28 THR H A 28 THR N A 28 THR CA 356 361 230790956.5 . 9954874 . 7.378001071 . 119.787854 . 54.03337107 . A 29 ARG H A 29 ARG N A 29 ARG CA 355 360 50008826.5 . 2166089 . 7.377168179 . 119.7493631 . 62.024833 . A 29 ARG H A 29 ARG N A 28 THR CA 16 17 59890246.38 . 2642840.5 . 9.100956142 . 131.3183854 . 54.06689562 . A 30 LEU H A 30 LEU N A 29 ARG CA 17 18 75307973 . 3306365.75 . 9.102762 . 131.2898311 . 59.98616786 . A 30 LEU H A 30 LEU N A 30 LEU CA 7 8 675896224 . 29717306 . 9.350005977 . 119.2361615 . 61.6670271 . A 31 TRP H A 31 TRP N A 31 TRP CA 8 9 214678467.5 . 9562490 . 9.349559338 . 119.2378601 . 59.96158213 . A 31 TRP H A 31 TRP N A 30 LEU CA 350 355 86374515.25 . 3858211 . 7.451639235 . 116.1860796 . 65.24471536 . A 33 SER H A 33 SER N A 32 PRO CA 349 354 240755211.5 . 10509298 . 7.452676213 . 116.1958667 . 63.84533704 . A 33 SER H A 33 SER N A 33 SER CA 161 165 331997180 . 14460752 . 8.398421457 . 122.0184922 . 66.56367784 . A 34 VAL H A 34 VAL N A 34 VAL CA 160 164 117973266.8 . 5143829 . 8.398507602 . 122.0097182 . 63.82314271 . A 34 VAL H A 34 VAL N A 33 SER CA 32 33 129511724.8 . 5522314.5 . 8.850880758 . 105.0779021 . 66.50804978 . A 35 GLY H A 35 GLY N A 34 VAL CA 31 32 404670852 . 16856608 . 8.850413159 . 105.0437936 . 47.80641026 . A 35 GLY H A 35 GLY N A 35 GLY CA 208 212 77194908.25 . 3344438 . 8.235417696 . 121.0714523 . 68.41404211 . A 36 THR H A 36 THR N A 36 THR CA 209 213 76418062.25 . 3401874.25 . 8.236158591 . 121.1149602 . 47.74212289 . A 36 THR H A 36 THR N A 35 GLY CA 348 353 253970076 . 10970538 . 7.472537953 . 119.4044391 . 65.14375405 . A 37 ILE H A 37 ILE N A 37 ILE CA 185 189 284105752 . 12152333 . 8.324229071 . 118.54365 . 65.42351828 . A 38 ILE H A 38 ILE N A 38 ILE CA 205 209 302804013 . 13093533 . 8.247328494 . 116.1686987 . 65.3998227 . A 39 CYS H A 39 CYS N A 39 CYS CA 121 124 248982941 . 10808001 . 8.460547554 . 118.948875 . 60.88152241 . A 40 TYR H A 40 TYR N A 40 TYR CA 122 125 91730362.75 . 3925593 . 8.460640203 . 118.9347146 . 65.366815 . A 40 TYR H A 40 TYR N A 39 CYS CA 158 162 223555383 . 9801043 . 8.426383067 . 117.3107963 . 65.03001676 . A 41 CYS H A 41 CYS N A 41 CYS CA 159 163 69248924.5 . 3011966.5 . 8.426812822 . 117.281308 . 60.86966644 . A 41 CYS H A 41 CYS N A 40 TYR CA 136 139 116822427.2 . 5070232 . 8.383226372 . 119.307661 . 65.0129942 . A 42 ALA H A 42 ALA N A 41 CYS CA 138 141 283090086 . 12323603 . 8.381830818 . 119.2994297 . 54.96532147 . A 42 ALA H A 42 ALA N A 42 ALA CA 104 107 109828239.5 . 4791151 . 8.552332003 . 112.4716391 . 54.95669497 . A 43 SER H A 43 SER N A 42 ALA CA 103 106 232879073 . 10253421 . 8.553505975 . 112.454977 . 63.0139432 . A 43 SER H A 43 SER N A 43 SER CA 222 226 97570301.25 . 4251711 . 8.189716984 . 116.397932 . 62.9896024 . A 44 PHE H A 44 PHE N A 43 SER CA 221 225 302640081 . 13100461 . 8.19040564 . 116.4285647 . 60.04185854 . A 44 PHE H A 44 PHE N A 44 PHE CA 177 181 108877413.2 . 4775857.5 . 8.370229449 . 120.7374868 . 60.03712983 . A 45 TRP H A 45 TRP N A 44 PHE CA 178 182 274888501.5 . 12024330 . 8.371955516 . 120.7876464 . 62.22486362 . A 45 TRP H A 45 TRP N A 45 TRP CA 38 39 108388565.8 . 4715719.5 . 8.822099345 . 118.6421967 . 62.204278 . A 46 LEU H A 46 LEU N A 45 TRP CA 37 38 266038753 . 11617689 . 8.823307077 . 118.6597624 . 57.93756828 . A 46 LEU H A 46 LEU N A 46 LEU CA 157 161 111812676.8 . 4408247.5 . 8.42768556 . 121.2275589 . 57.88716263 . A 47 LEU H A 47 LEU N A 46 LEU CA 154 158 250442246.5 . 10919749 . 8.42914996 . 121.1808996 . 57.35658898 . A 47 LEU H A 47 LEU N A 47 LEU CA 206 210 342436119 . 14779568 . 8.210523438 . 121.4181614 . 54.68798535 . A 48 ALA H A 48 ALA N A 48 ALA CA 207 211 107907521.5 . 4609485.5 . 8.211545783 . 121.3387101 . 57.37447905 . A 48 ALA H A 48 ALA N A 47 LEU CA 354 359 109536567 . 4727708.5 . 7.379634517 . 114.4706942 . 54.68380506 . A 49 GLN H A 49 GLN N A 48 ALA CA 353 358 327592209 . 14230514 . 7.381174336 . 114.4737326 . 56.4758349 . A 49 GLN H A 49 GLN N A 49 GLN CA 323 327 57861964.5 . 2557526 . 7.584794113 . 111.1678261 . 56.43383542 . A 50 THR H A 50 THR N A 49 GLN CA 322 326 163542287.5 . 7057510.5 . 7.586866638 . 111.2103081 . 65.58200125 . A 50 THR H A 50 THR N A 50 THR CA 362 367 62347039.25 . 2670953 . 7.212370066 . 119.8897991 . 65.54981359 . A 51 LEU H A 51 LEU N A 50 THR CA 361 366 303344095 . 13253440 . 7.211482265 . 119.9261074 . 55.96695103 . A 51 LEU H A 51 LEU N A 51 LEU CA 366 371 415795305 . 18098056 . 7.134133826 . 118.8280677 . 52.8886608 . A 52 ALA H A 52 ALA N A 52 ALA CA 365 370 133109670.2 . 5804727.5 . 7.133396475 . 118.8178533 . 55.95481928 . A 52 ALA H A 52 ALA N A 51 LEU CA 392 398 253861290 . 10859836 . 7.758375983 . 113.9169736 . 58.24311633 . A 53 TYR H A 53 TYR N A 53 TYR CA 391 397 68593168.88 . 2931789.25 . 7.758794099 . 113.8556766 . 52.85778247 . A 53 TYR H A 53 TYR N A 52 ALA CA 282 286 91671410.75 . 3996594.75 . 7.838745784 . 119.1406033 . 58.20126886 . A 54 ILE H A 54 ILE N A 53 TYR CA 283 287 512346211 . 22213122 . 7.840473298 . 119.139597 . 57.41677396 . A 54 ILE H A 54 ILE N A 54 ILE CA 216 220 398869740 . 17568422 . 8.20945707 . 118.265091 . 62.77259353 . A 56 THR H A 56 THR N A 55 PRO CA 215 219 437763415 . 19133868 . 8.209962202 . 118.288991 . 65.83869277 . A 56 THR H A 56 THR N A 56 THR CA 42 43 458937065 . 20176206 . 8.786170731 . 107.1832704 . 47.29059201 . A 57 GLY H A 57 GLY N A 57 GLY CA 43 44 117406915.5 . 5117599.5 . 8.783037901 . 107.1359298 . 65.87103402 . A 57 GLY H A 57 GLY N A 56 THR CA 377 382 404795549 . 17544750 . 6.901421103 . 119.457511 . 64.39160077 . A 58 ILE H A 58 ILE N A 58 ILE CA 376 381 198449163.5 . 8636978 . 6.901322217 . 119.4239836 . 47.28071862 . A 58 ILE H A 58 ILE N A 57 GLY CA 266 270 307243419 . 13371113 . 7.932036567 . 121.419658 . 55.52096657 . A 59 ALA H A 59 ALA N A 59 ALA CA 267 271 114315215 . 4630761 . 7.931474812 . 121.343518 . 64.3956787 . A 59 ALA H A 59 ALA N A 58 ILE CA 63 65 334434812 . 14540455 . 8.71685943 . 115.1002295 . 60.90337537 . A 60 TYR H A 60 TYR N A 60 TYR CA 62 64 136836779.5 . 5942256 . 8.716459206 . 115.0970484 . 55.51374872 . A 60 TYR H A 60 TYR N A 59 ALA CA 230 234 102210883 . 4498447.5 . 8.13891139 . 119.6513065 . 60.88497151 . A 61 ALA H A 61 ALA N A 60 TYR CA 229 233 347255562 . 15276011 . 8.138831305 . 119.6945728 . 55.28771296 . A 61 ALA H A 61 ALA N A 61 ALA CA 226 230 260439223 . 11286182 . 8.175998042 . 115.9805348 . 64.88311617 . A 62 ILE H A 62 ILE N A 62 ILE CA 225 229 112404323.8 . 4821270.5 . 8.174985533 . 115.9773104 . 55.29139559 . A 62 ILE H A 62 ILE N A 61 ALA CA 59 61 99333223.75 . 4437416 . 8.722961417 . 121.3213039 . 64.88137593 . A 63 TRP H A 63 TRP N A 62 ILE CA 58 60 231890969.5 . 10084491 . 8.724937486 . 121.3372027 . 61.82745052 . A 63 TRP H A 63 TRP N A 63 TRP CA 13 14 232256398 . 10019975 . 9.182683463 . 119.4414475 . 64.82806252 . A 64 VAL H A 64 VAL N A 64 VAL CA 30 31 90948703.5 . 3926478.75 . 9.181457756 . 119.4271011 . 61.80420188 . A 64 VAL H A 64 VAL N A 63 TRP CA 143 146 67318559.62 . 2877988.75 . 8.459330148 . 109.3390101 . 64.86571149 . A 65 GLY H A 65 GLY N A 64 VAL CA 142 145 242506101 . 10619320 . 8.456316986 . 109.3978159 . 47.09288184 . A 65 GLY H A 65 GLY N A 65 GLY CA 90 93 111979921.2 . 4953040.5 . 8.586038206 . 118.1333553 . 47.09395344 . A 66 VAL H A 66 VAL N A 65 GLY CA 92 95 223171307.5 . 9845810 . 8.587838047 . 118.1425752 . 66.01132445 . A 66 VAL H A 66 VAL N A 66 VAL CA 375 380 45047068.5 . 1858607 . 7.007497521 . 105.9006793 . 65.91714355 . A 67 GLY H A 67 GLY N A 66 VAL CA 374 379 186282480.5 . 7899098.5 . 7.011045611 . 106.0146022 . 47.09342179 . A 67 GLY H A 67 GLY N A 67 GLY CA 48 50 178434396 . 7804415.5 . 8.758944336 . 120.906186 . 47.06885929 . A 68 ILE H A 68 ILE N A 67 GLY CA 46 47 342877247 . 15040398 . 8.759597748 . 120.9203502 . 66.2346985 . A 68 ILE H A 68 ILE N A 68 ILE CA 347 352 92144199.75 . 4075233 . 7.457398011 . 119.5072094 . 66.22897983 . A 69 VAL H A 69 VAL N A 68 ILE CA 346 351 299599789 . 13090551 . 7.45852819 . 119.5209358 . 66.86006214 . A 69 VAL H A 69 VAL N A 69 VAL CA 91 94 145592627 . 6365690.5 . 8.571334368 . 118.0137124 . 57.79503096 . A 70 LEU H A 70 LEU N A 70 LEU CA 23 24 341765145 . 14863934 . 9.041644897 . 119.8012619 . 65.57207201 . A 71 ILE H A 71 ILE N A 71 ILE CA 22 23 120986914 . 5241731 . 9.039741811 . 119.8067771 . 57.7386844 . A 71 ILE H A 71 ILE N A 70 LEU CA 279 283 79557233.5 . 3404462.25 . 7.86271601 . 118.4150634 . 65.57695679 . A 72 SER H A 72 SER N A 71 ILE CA 278 282 239866249.5 . 10294128 . 7.864847715 . 118.4300475 . 63.06783757 . A 72 SER H A 72 SER N A 72 SER CA 170 174 117512657.5 . 5148123 . 8.355398247 . 123.861165 . 63.04249938 . A 73 LEU H A 73 LEU N A 72 SER CA 171 175 364994504 . 15801234 . 8.354745296 . 123.8654029 . 58.17128206 . A 73 LEU H A 73 LEU N A 73 LEU CA 79 82 532179303 . 22464230 . 8.654706468 . 119.142112 . 58.07010348 . A 74 LEU H A 74 LEU N A 74 LEU CA 202 206 169442961.5 . 7229315 . 8.25666779 . 115.1872748 . 62.7348774 . A 75 SER H A 75 SER N A 75 SER CA 201 205 114868793.2 . 5024593 . 8.256243932 . 115.1775253 . 58.00262008 . A 75 SER H A 75 SER N A 74 LEU CA 298 302 63174410 . 2711018 . 7.774125486 . 125.0029977 . 62.71005119 . A 76 TRP H A 76 TRP N A 75 SER CA 297 301 360232029 . 15648700 . 7.776399511 . 125.0564934 . 59.21048423 . A 76 TRP H A 76 TRP N A 76 TRP CA 223 227 113757214.2 . 4977333 . 8.188135483 . 103.8516923 . 59.19335391 . A 77 GLY H A 77 GLY N A 76 TRP CA 224 228 372909359 . 16309950 . 8.187256792 . 103.9010221 . 47.03793585 . A 77 GLY H A 77 GLY N A 77 GLY CA 128 131 343583789 . 15034024 . 8.47109602 . 114.36632 . 58.58367424 . A 78 PHE H A 78 PHE N A 78 PHE CA 125 128 175679896 . 7727020 . 8.470860069 . 114.3493148 . 47.02323833 . A 78 PHE H A 78 PHE N A 77 GLY CA 380 385 322467135 . 13931433 . 6.816605403 . 112.2765702 . 55.23752176 . A 79 PHE H A 79 PHE N A 79 PHE CA 381 386 110104414.8 . 4873872.5 . 6.816613541 . 112.2856143 . 58.57393556 . A 79 PHE H A 79 PHE N A 78 PHE CA 344 349 455477477 . 19875990 . 7.471574632 . 108.795948 . 46.39322655 . A 80 GLY H A 80 GLY N A 80 GLY CA 345 350 102703262.2 . 4427946.5 . 7.472740118 . 108.7592948 . 55.23157211 . A 80 GLY H A 80 GLY N A 79 PHE CA 314 318 207406808 . 9114785 . 7.687356561 . 119.4801871 . 46.38681254 . A 81 GLN H A 81 GLN N A 80 GLY CA 315 319 500914761 . 21889458 . 7.687530267 . 119.5107506 . 55.31306546 . A 81 GLN H A 81 GLN N A 81 GLN CA 305 309 1486484460 . 65124620 . 7.761088142 . 125.8541868 . 55.37170896 . A 82 ARG H A 82 ARG N A 82 ARG CA 384 389 281453364 . 12218088 . 6.415928642 . 122.5754802 . 55.39166294 . A 83 LEU H A 83 LEU N A 82 ARG CA 385 390 583194518 . 25234062 . 6.416169065 . 122.5739585 . 52.80741555 . A 83 LEU H A 83 LEU N A 83 LEU CA 341 346 786622628 . 34559628 . 7.466603736 . 119.017782 . 50.99529474 . A 84 ASP H A 84 ASP N A 84 ASP CA 342 347 294244582 . 12847921 . 7.466628862 . 118.984515 . 52.80593433 . A 84 ASP H A 84 ASP N A 83 LEU CA 51 53 407653236 . 17546356 . 8.757047247 . 118.490694 . 50.99655306 . A 85 LEU H A 85 LEU N A 84 ASP CA 50 52 520062956 . 22423372 . 8.757319855 . 118.5005069 . 59.3781109 . A 85 LEU H A 85 LEU N A 85 LEU CA 327 332 474325139 . 20543828 . 7.546595586 . 117.4527305 . 55.34929045 . A 87 ALA H A 87 ALA N A 87 ALA CA 328 333 216270590.5 . 9334581 . 7.545933711 . 117.4300443 . 66.12989645 . A 87 ALA H A 87 ALA N B 86 PRO CA 195 199 138180266.5 . 6133599 . 8.266465134 . 118.2274746 . 55.33529876 . A 88 ILE H A 88 ILE N A 87 ALA CA 196 200 365821562 . 15830882 . 8.267275725 . 118.2400015 . 65.32063046 . A 88 ILE H A 88 ILE N A 88 ILE CA 44 45 311947003 . 13595501 . 8.783194617 . 119.2216104 . 64.34302402 . A 89 ILE H A 89 ILE N A 89 ILE CA 45 46 99529986.25 . 4332787 . 8.782975606 . 119.2023771 . 65.31697827 . A 89 ILE H A 89 ILE N A 88 ILE CA 34 35 185793077.5 . 8059486.5 . 8.842933303 . 107.4165046 . 64.33571171 . A 90 GLY H A 90 GLY N A 89 ILE CA 33 34 619329786 . 27189854 . 8.849979749 . 107.4865448 . 47.63556567 . A 90 GLY H A 90 GLY N A 90 GLY CA 82 85 281150207 . 12317455 . 8.640857325 . 120.6655683 . 59.56081275 . A 91 MET H A 91 MET N A 91 MET CA 83 86 120629837 . 5383181 . 8.63912213 . 120.6656485 . 47.57280426 . A 91 MET H A 91 MET N A 90 GLY CA 97 100 244983562.5 . 10576836 . 8.579857979 . 120.1329871 . 59.17362832 . A 92 MET H A 92 MET N A 92 MET CA 98 101 102973939.5 . 4334629 . 8.57994457 . 120.1099071 . 59.61374721 . A 92 MET H A 92 MET N A 91 MET CA 199 203 191180492 . 8178863 . 8.254417062 . 120.4202344 . 58.29171884 . A 93 LEU H A 93 LEU N A 93 LEU CA 200 204 81059545.5 . 3579221 . 8.255158309 . 120.3973855 . 59.1846435 . A 93 LEU H A 93 LEU N A 92 MET CA 260 264 122599786.8 . 5360831.5 . 7.964967754 . 118.5016124 . 65.56043941 . A 94 ILE H A 94 ILE N A 94 ILE CA 261 265 54373582.38 . 2424733 . 7.963684929 . 118.4602439 . 58.28189557 . A 94 ILE H A 94 ILE N A 93 LEU CA 151 154 58927464.12 . 2608629 . 8.43869466 . 116.7315126 . 65.47868841 . A 95 CYS H A 95 CYS N A 94 ILE CA 150 153 191676927 . 8441599 . 8.437799196 . 116.8308487 . 64.41768369 . A 95 CYS H A 95 CYS N A 95 CYS CA 39 40 68083514.75 . 3015017 . 8.80867963 . 120.0652475 . 64.40766173 . A 96 ALA H A 96 ALA N A 95 CYS CA 40 41 179803232 . 7850487 . 8.811850836 . 120.0064809 . 55.01570435 . A 96 ALA H A 96 ALA N A 96 ALA CA 105 108 230991470 . 10255392 . 8.549301727 . 105.6233908 . 48.46358216 . A 97 GLY H A 97 GLY N A 97 GLY CA 106 109 71015131.5 . 3037821.25 . 8.547328088 . 105.6478493 . 54.97629726 . A 97 GLY H A 97 GLY N A 96 ALA CA 175 179 114676984.2 . 5061992 . 8.352017295 . 120.6018128 . 48.44043709 . A 98 VAL H A 98 VAL N A 97 GLY CA 179 183 227314189.5 . 10070554 . 8.352169518 . 120.6362044 . 66.74988134 . A 98 VAL H A 98 VAL N A 98 VAL CA 231 235 165062644 . 7278442.5 . 8.140099429 . 120.5015628 . 58.55643141 . A 99 LEU H A 99 LEU N A 99 LEU CA 232 236 58553910.38 . 2511241.75 . 8.137099762 . 120.4826429 . 66.74087131 . A 99 LEU H A 99 LEU N A 98 VAL CA 131 134 211842126 . 8954185 . 8.452626418 . 119.180637 . 65.91126782 . A 100 ILE H A 100 ILE N A 100 ILE CA 132 135 65418457.25 . 2750716 . 8.452917481 . 119.2167489 . 58.56853656 . A 100 ILE H A 100 ILE N A 99 LEU CA 249 253 318374791 . 13761242 . 8.026927085 . 117.7064874 . 65.66951361 . A 101 ILE H A 101 ILE N A 101 ILE CA 352 357 247417912.5 . 10881958 . 7.446459247 . 114.2138437 . 56.35373569 . A 102 ASN H A 102 ASN N A 102 ASN CA 351 356 76624845.25 . 3209260.75 . 7.443888804 . 114.1842398 . 65.61465693 . A 102 ASN H A 102 ASN N A 101 ILE CA 174 178 240095015 . 10352176 . 8.364469006 . 115.3485158 . 56.09002581 . A 103 LEU H A 103 LEU N A 103 LEU CA 319 323 274998179 . 11897001 . 7.659027552 . 114.7394775 . 54.41233688 . A 104 LEU H A 104 LEU N A 104 LEU CA 318 322 87852297.75 . 3805889.25 . 7.656658927 . 114.7344076 . 56.03807705 . A 104 LEU H A 104 LEU N A 103 LEU CA 370 375 147437065.5 . 6524479 . 7.063650352 . 112.6873694 . 54.3822442 . A 105 SER H A 105 SER N A 104 LEU CA 371 376 644098974 . 27967886 . 7.064685597 . 112.7026721 . 57.69548505 . A 105 SER H A 105 SER N A 105 SER CA 9 10 575324256 . 25159732 . 9.256174059 . 127.1542118 . 55.27915846 . A 106 ARG H A 106 ARG N A 106 ARG CA 10 11 299080704 . 12985921 . 9.256554349 . 127.1723792 . 57.69426301 . A 106 ARG H A 106 ARG N A 105 SER CA 166 170 100077596 . 4415886.5 . 8.357993553 . 117.1123855 . 55.2629904 . A 107 SER H A 107 SER N A 106 ARG CA 167 171 283588462 . 12259520 . 8.359018253 . 117.1235444 . 58.42737179 . A 107 SER H A 107 SER N A 107 SER CA 291 295 313844208 . 13703462 . 7.835075184 . 117.2451425 . 58.40287663 . A 108 THR H A 108 THR N A 107 SER CA 290 294 1172366596 . 51137464 . 7.835550867 . 117.2368641 . 59.16093815 . A 108 THR H A 108 THR N A 108 THR CA 280 284 2592487096 . 114372432 . 7.797625116 . 123.680003 . 56.76993638 . A 110 HIS H A 110 HIS N A 110 HIS CA 281 285 1219207660 . 53838444 . 7.797943343 . 123.6853724 . 63.09310992 . A 110 HIS H A 110 HIS N A 109 PRO CA 211 215 347679875 . 15170087 . 8.177962048 . 121.6031035 . 54.77505884 . B 2 ASN H B 2 ASN N B 1 MET CA 210 214 529151042 . 22891270 . 8.17737126 . 121.6432422 . 52.02062081 . B 2 ASN H B 2 ASN N B 2 ASN CA 172 176 239060401 . 10289487 . 8.357862134 . 116.3639184 . 61.73428598 . B 4 TYR H B 4 TYR N B 4 TYR CA 173 177 94575146.75 . 4091480.75 . 8.356684711 . 116.3724882 . 64.25980535 . B 4 TYR H B 4 TYR N B 3 PRO CA 295 299 79428699.25 . 3494669 . 7.795236772 . 121.0680379 . 61.7077539 . B 5 ILE H B 5 ILE N B 4 TYR CA 296 300 195610447.5 . 8332012.5 . 7.796865624 . 121.1061837 . 64.35713051 . B 5 ILE H B 5 ILE N B 5 ILE CA 387 392 223855510.5 . 9695186 . 6.879959012 . 118.7784485 . 61.46100847 . B 6 TYR H B 6 TYR N B 6 TYR CA 388 394 78055456.5 . 2972532.25 . 6.874722654 . 118.852615 . 64.35290797 . B 6 TYR H B 6 TYR N B 5 ILE CA 251 255 82585613.5 . 3508876 . 7.99233041 . 120.0464578 . 61.45323228 . B 7 LEU H B 7 LEU N B 6 TYR CA 250 254 237220002 . 10381774 . 7.991587161 . 120.0502532 . 57.52599475 . B 7 LEU H B 7 LEU N B 7 LEU CA 54 56 88582877.25 . 3955372.25 . 8.749155818 . 106.4107581 . 57.5181594 . B 8 GLY H B 8 GLY N B 7 LEU CA 55 57 310105302 . 13638381 . 8.747975879 . 106.4134876 . 47.19257006 . B 8 GLY H B 8 GLY N B 8 GLY CA 61 63 112983364.5 . 4803194.5 . 8.723081355 . 109.3488877 . 47.17293599 . B 9 GLY H B 9 GLY N B 8 GLY CA 60 62 324052039 . 14221950 . 8.723810569 . 109.3443542 . 47.56749292 . B 9 GLY H B 9 GLY N B 9 GLY CA 28 29 141995002.5 . 6165000 . 8.910766438 . 124.8489957 . 47.55956514 . B 10 ALA H B 10 ALA N B 9 GLY CA 27 28 385195140 . 16271594 . 8.907955824 . 124.8235159 . 55.35360124 . B 10 ALA H B 10 ALA N B 10 ALA CA 87 90 261728645.5 . 11357128 . 8.607181153 . 122.9226075 . 64.38545695 . B 11 ILE H B 11 ILE N B 11 ILE CA 86 89 81212127 . 3478377.5 . 8.608278701 . 122.8876666 . 55.31495656 . B 11 ILE H B 11 ILE N B 10 ALA CA 176 180 342640604 . 14864694 . 8.341422291 . 120.6244268 . 58.1557035 . B 12 LEU H B 12 LEU N B 12 LEU CA 180 184 96785968.25 . 4296585 . 8.340186939 . 120.5965161 . 64.37585199 . B 12 LEU H B 12 LEU N B 11 ILE CA 119 122 341770458 . 15022524 . 8.500480774 . 119.31359 . 55.44843994 . B 13 ALA H B 13 ALA N B 13 ALA CA 120 123 121190620.5 . 5274326 . 8.499644653 . 119.2865182 . 58.13184681 . B 13 ALA H B 13 ALA N B 12 LEU CA 288 292 262165361 . 11462933 . 7.754037029 . 119.3086267 . 58.59946898 . B 14 GLU H B 14 GLU N B 14 GLU CA 289 293 159654527 . 6845965.5 . 7.75002116 . 119.3540651 . 55.40847048 . B 14 GLU H B 14 GLU N B 13 ALA CA 162 166 116123747.8 . 5058295 . 8.400767114 . 121.5800567 . 58.5861871 . B 15 VAL H B 15 VAL N B 14 GLU CA 163 167 343050226 . 14829440 . 8.401057677 . 121.5733246 . 66.02019734 . B 15 VAL H B 15 VAL N B 15 VAL CA 95 98 109952761.8 . 4877089.5 . 8.578997908 . 122.1489198 . 65.98022368 . B 16 ILE H B 16 ILE N B 15 VAL CA 96 99 290074253 . 12653023 . 8.578569503 . 122.1529597 . 65.10732955 . B 16 ILE H B 16 ILE N B 16 ILE CA 113 116 119393534.8 . 5211045 . 8.505919432 . 107.9234916 . 65.09865528 . B 17 GLY H B 17 GLY N B 16 ILE CA 114 117 366153279 . 16054280 . 8.507032691 . 107.9282554 . 47.78073135 . B 17 GLY H B 17 GLY N B 17 GLY CA 123 126 189425011 . 8240596.5 . 8.469394781 . 118.7923125 . 66.43528106 . B 18 THR H B 18 THR N B 18 THR CA 124 127 95020671.5 . 4106186.25 . 8.469050006 . 118.785307 . 47.76347137 . B 18 THR H B 18 THR N B 17 GLY CA 287 291 119825336.5 . 5170745.5 . 7.793754494 . 119.406671 . 67.6256789 . B 19 THR H B 19 THR N B 19 THR CA 286 290 82660269.5 . 3640518.75 . 7.800742402 . 119.4211502 . 66.43668098 . B 19 THR H B 19 THR N B 18 THR CA 193 197 67534598.88 . 2848221 . 8.290546052 . 120.5809677 . 67.59691452 . B 20 LEU H B 20 LEU N B 19 THR CA 194 198 449753298 . 19549116 . 8.289085571 . 120.6197411 . 58.02797799 . B 20 LEU H B 20 LEU N B 20 LEU CA 213 217 411233138 . 17954938 . 8.1553405 . 121.2164346 . 59.16270946 . B 21 MET H B 21 MET N B 21 MET CA 306 310 444392011 . 19289874 . 7.750888012 . 122.3569252 . 58.69111099 . B 22 LYS H B 22 LYS N B 22 LYS CA 307 311 137453434.5 . 5894307 . 7.75023468 . 122.3475327 . 59.15416987 . B 22 LYS H B 22 LYS N B 21 MET CA 320 324 717286712 . 31328526 . 7.63427969 . 117.8186417 . 58.64766037 . B 23 PHE H B 23 PHE N B 23 PHE CA 269 273 397944012 . 17219240 . 7.912849506 . 114.9746601 . 60.15686687 . B 24 SER H B 24 SER N B 24 SER CA 268 272 112637662 . 4903386.5 . 7.912972453 . 115.0041474 . 58.62190658 . B 24 SER H B 24 SER N B 23 PHE CA 227 231 557061166 . 24255958 . 8.146815114 . 122.2214884 . 55.91741328 . B 25 GLU H B 25 GLU N B 25 GLU CA 228 232 179722549 . 7834387 . 8.146278019 . 122.1923834 . 60.13844865 . B 25 GLU H B 25 GLU N B 24 SER CA 14 15 434555861 . 19089130 . 9.150022342 . 112.9035531 . 46.95468312 . B 26 GLY H B 26 GLY N B 26 GLY CA 15 16 130042964.5 . 5703989 . 9.150537683 . 112.8831752 . 55.90181676 . B 26 GLY H B 26 GLY N B 25 GLU CA 258 262 390225940 . 16952152 . 7.941997158 . 113.9791885 . 58.97822831 . B 27 PHE H B 27 PHE N B 27 PHE CA 256 260 189095273.5 . 8350213 . 7.942115127 . 113.9739656 . 46.94818185 . B 27 PHE H B 27 PHE N B 26 GLY CA 324 328 139260307.5 . 5944531 . 7.546967509 . 102.3844408 . 62.0179784 . B 28 THR H B 28 THR N B 28 THR CA 325 330 353791890 . 15475448 . 7.557202248 . 120.6786489 . 54.22099827 . B 29 ARG H B 29 ARG N B 29 ARG CA 326 331 60057319.38 . 2597006.5 . 7.559201112 . 120.6817498 . 61.97786136 . B 29 ARG H B 29 ARG N B 28 THR CA 24 25 41994129.25 . 1782344.875 . 8.951297711 . 130.8809056 . 54.19883576 . B 30 LEU H B 30 LEU N B 29 ARG CA 25 26 66035600.62 . 2812508 . 8.952079467 . 130.8720399 . 59.72309323 . B 30 LEU H B 30 LEU N B 30 LEU CA 12 13 237127553 . 10479743 . 9.218707774 . 118.6627097 . 59.70860279 . B 31 TRP H B 31 TRP N B 30 LEU CA 11 12 714452416 . 31337812 . 9.219531128 . 118.6816928 . 61.72654655 . B 31 TRP H B 31 TRP N B 31 TRP CA 359 364 108184788.5 . 4671442 . 7.311213598 . 115.6709597 . 65.38604432 . B 33 SER H B 33 SER N B 32 PRO CA 360 365 328625842 . 14347827 . 7.312297454 . 115.7132934 . 63.54904072 . B 33 SER H B 33 SER N B 33 SER CA 148 151 408796224 . 17950732 . 8.436575712 . 121.8864376 . 66.50749681 . B 34 VAL H B 34 VAL N B 34 VAL CA 147 150 131249200.5 . 5706613.5 . 8.43593636 . 121.8406938 . 63.55698615 . B 34 VAL H B 34 VAL N B 33 SER CA 36 37 379058038 . 15709545 . 8.841886025 . 105.4602768 . 47.80641026 . B 35 GLY H B 35 GLY N B 35 GLY CA 35 36 96857458 . 4088070.75 . 8.839319676 . 105.4674575 . 66.51594943 . B 35 GLY H B 35 GLY N B 34 VAL CA 184 188 86604504.25 . 3787860.75 . 8.321824432 . 121.2382226 . 47.78813192 . B 36 THR H B 36 THR N B 35 GLY CA 183 187 120496853 . 5201734.5 . 8.322999034 . 121.2689517 . 68.67489052 . B 36 THR H B 36 THR N B 36 THR CA 331 336 58908556.25 . 2468702.75 . 7.536720342 . 119.5265352 . 68.65024711 . B 37 ILE H B 37 ILE N B 36 THR CA 332 337 312842304 . 13581379 . 7.539002821 . 119.5894621 . 65.0606258 . B 37 ILE H B 37 ILE N B 37 ILE CA 139 142 314729362 . 13139485 . 8.415275659 . 119.4019964 . 65.60331656 . B 38 ILE H B 38 ILE N B 38 ILE CA 135 138 114867579.5 . 4895067.5 . 8.41486027 . 119.3897372 . 65.02307004 . B 38 ILE H B 38 ILE N B 37 ILE CA 190 194 216072459 . 9253188 . 8.31136706 . 116.5082118 . 65.21409201 . B 39 CYS H B 39 CYS N B 39 CYS CA 88 91 258932859 . 11303291 . 8.585592804 . 118.8681151 . 61.30575219 . B 40 TYR H B 40 TYR N B 40 TYR CA 89 92 84057770.25 . 3699249.25 . 8.585143663 . 118.8443342 . 65.19362234 . B 40 TYR H B 40 TYR N B 39 CYS CA 93 96 213903183 . 9464599 . 8.603474811 . 117.9578101 . 65.05511755 . B 41 CYS H B 41 CYS N B 41 CYS CA 94 97 56220177.25 . 2466362.5 . 8.602914158 . 117.8899706 . 61.3014207 . B 41 CYS H B 41 CYS N B 40 TYR CA 189 193 306534379 . 13388217 . 8.297705072 . 119.8053814 . 54.90939276 . B 42 ALA H B 42 ALA N B 42 ALA CA 188 192 117842151.8 . 5228851.5 . 8.296674571 . 119.767089 . 65.03928692 . B 42 ALA H B 42 ALA N B 41 CYS CA 130 133 204700112.5 . 8877229 . 8.461205385 . 112.2013674 . 63.05871204 . B 43 SER H B 43 SER N B 43 SER CA 129 132 91875261.75 . 3910071 . 8.459698872 . 112.197261 . 54.88089768 . B 43 SER H B 43 SER N B 42 ALA CA 191 195 259916652 . 11346125 . 8.292309076 . 116.23227 . 60.84324779 . B 44 PHE H B 44 PHE N B 44 PHE CA 192 196 86727983.5 . 3797378.25 . 8.290861141 . 116.1944199 . 63.04789339 . B 44 PHE H B 44 PHE N B 43 SER CA 153 157 186721233.5 . 8176235 . 8.410120555 . 121.1028085 . 62.82012942 . B 45 TRP H B 45 TRP N B 45 TRP CA 152 156 70583079.25 . 3044401.5 . 8.408581419 . 121.1093988 . 60.84637172 . B 45 TRP H B 45 TRP N B 44 PHE CA 78 81 372306507 . 15381929 . 8.633690172 . 118.9959957 . 58.15516845 . B 46 LEU H B 46 LEU N B 46 LEU CA 77 80 76990608.25 . 3314871.5 . 8.631919298 . 118.9488274 . 62.78100656 . B 46 LEU H B 46 LEU N B 45 TRP CA 76 79 235153231.5 . 10287189 . 8.656779841 . 121.235267 . 57.19885063 . B 47 LEU H B 47 LEU N B 47 LEU CA 75 78 83136754.5 . 3667389.5 . 8.656742185 . 121.2467979 . 58.15476159 . B 47 LEU H B 47 LEU N B 46 LEU CA 49 51 271467002 . 11822622 . 8.763832761 . 121.2098878 . 54.7443276 . B 48 ALA H B 48 ALA N B 48 ALA CA 47 48 79914376.25 . 3478468 . 8.763555018 . 121.2052364 . 57.20528503 . B 48 ALA H B 48 ALA N B 47 LEU CA 357 362 281499738 . 12152238 . 7.337804332 . 114.8773431 . 56.01110089 . B 49 GLN H B 49 GLN N B 49 GLN CA 358 363 117456348.5 . 5046072 . 7.338696148 . 114.8430661 . 54.71415488 . B 49 GLN H B 49 GLN N B 48 ALA CA 338 343 132538232.8 . 5780266 . 7.496445202 . 107.2995548 . 64.24573793 . B 50 THR H B 50 THR N B 50 THR CA 378 383 283659909.5 . 12360783 . 6.852249258 . 117.8838651 . 55.61267736 . B 51 LEU H B 51 LEU N B 51 LEU CA 379 384 66662423.75 . 2812760.25 . 6.853295494 . 117.8897536 . 64.26403421 . B 51 LEU H B 51 LEU N B 50 THR CA 369 374 318082457 . 13801609 . 7.078154943 . 120.1705115 . 52.72963726 . B 52 ALA H B 52 ALA N B 52 ALA CA 329 334 223260582.5 . 9804001 . 7.554954136 . 113.1636477 . 57.96870819 . B 53 TYR H B 53 TYR N B 53 TYR CA 330 335 61578615.62 . 2682293.5 . 7.556160922 . 113.1746029 . 52.73094086 . B 53 TYR H B 53 TYR N B 52 ALA CA 285 289 105620626.5 . 4622383.5 . 7.80600868 . 119.2381461 . 57.95039937 . B 54 ILE H B 54 ILE N B 53 TYR CA 284 288 485694497 . 20910154 . 7.80749485 . 119.2586985 . 57.45343344 . B 54 ILE H B 54 ILE N B 54 ILE CA 19 20 82248496.75 . 3519809.5 . 9.114206864 . 124.031171 . 66.9431707 . B 56 THR H B 56 THR N B 56 THR CA 18 19 82180036.75 . 3536936.5 . 9.112236702 . 123.9943627 . 63.1493143 . B 56 THR H B 56 THR N B 55 PRO CA 2 3 227048858.5 . 9894810 . 9.938444459 . 106.6183778 . 46.80025323 . B 57 GLY H B 57 GLY N B 57 GLY CA 4 5 79226634.25 . 3481259.25 . 9.93704383 . 106.6601332 . 66.96861345 . B 57 GLY H B 57 GLY N B 56 THR CA 382 387 147807544.8 . 6531025 . 6.478053775 . 117.8626244 . 46.79071384 . B 58 ILE H B 58 ILE N B 57 GLY CA 383 388 271778935 . 11818895 . 6.478417481 . 117.9060517 . 63.57230955 . B 58 ILE H B 58 ILE N B 58 ILE CA 181 185 116387744.5 . 5053258 . 8.335457363 . 121.8454563 . 63.55271581 . B 59 ALA H B 59 ALA N B 58 ILE CA 182 186 322453669 . 14107962 . 8.335064196 . 121.8617092 . 55.47130496 . B 59 ALA H B 59 ALA N B 59 ALA CA 169 173 146509176.5 . 6553438 . 8.372527913 . 115.8896503 . 55.4628167 . B 60 TYR H B 60 TYR N B 59 ALA CA 168 172 303326824 . 13253001 . 8.372623529 . 115.8797437 . 62.449037 . B 60 TYR H B 60 TYR N B 60 TYR CA 244 248 131622694 . 5622491 . 8.051920553 . 118.3382435 . 62.42714488 . B 61 ALA H B 61 ALA N B 60 TYR CA 243 247 368328662 . 16115660 . 8.051913055 . 118.3833845 . 55.1321401 . B 61 ALA H B 61 ALA N B 61 ALA CA 107 110 98785178.5 . 4284092 . 8.527380572 . 116.9978024 . 55.11918519 . B 62 ILE H B 62 ILE N B 61 ALA CA 110 113 281350755 . 12247488 . 8.527742326 . 117.0357273 . 65.97554058 . B 62 ILE H B 62 ILE N B 62 ILE CA 149 152 129698014.5 . 5418491 . 8.442279178 . 121.8007389 . 65.98534811 . B 63 TRP H B 63 TRP N B 62 ILE CA 146 149 236279939.5 . 10152111 . 8.443113152 . 121.8974808 . 61.04958122 . B 63 TRP H B 63 TRP N B 63 TRP CA 70 73 97545395.25 . 4319408.5 . 8.669111759 . 120.1449154 . 61.05787179 . B 64 VAL H B 64 VAL N B 63 TRP CA 72 75 284076576 . 11876798 . 8.669320357 . 120.2067485 . 64.44794049 . B 64 VAL H B 64 VAL N B 64 VAL CA 84 87 247492854 . 10865201 . 8.611655917 . 108.1385749 . 47.09665489 . B 65 GLY H B 65 GLY N B 65 GLY CA 85 88 68809147.38 . 2992063.75 . 8.612158613 . 108.1274356 . 64.46925993 . B 65 GLY H B 65 GLY N B 64 VAL CA 20 21 256060967 . 11181418 . 9.034584704 . 120.1629588 . 66.15677759 . B 66 VAL H B 66 VAL N B 66 VAL CA 21 22 123682124.2 . 5430018 . 9.033723503 . 120.1303194 . 47.09057332 . B 66 VAL H B 66 VAL N B 65 GLY CA 373 378 96700973 . 4154252.75 . 7.037182346 . 106.3530466 . 66.13753577 . B 67 GLY H B 67 GLY N B 66 VAL CA 372 377 332613792 . 14440899 . 7.0362655 . 106.3948448 . 47.27216618 . B 67 GLY H B 67 GLY N B 67 GLY CA 274 278 171184170.5 . 7557324.5 . 7.906954863 . 120.8515551 . 47.26719634 . B 68 ILE H B 68 ILE N B 67 GLY CA 275 279 374088931 . 16171210 . 7.907348191 . 120.8735431 . 64.46858787 . B 68 ILE H B 68 ILE N B 68 ILE CA 313 317 319276676 . 13885833 . 7.707419219 . 122.4563562 . 67.00325866 . B 69 VAL H B 69 VAL N B 69 VAL CA 312 316 97018448.75 . 4191115.25 . 7.707309409 . 122.4275855 . 64.45748237 . B 69 VAL H B 69 VAL N B 68 ILE CA 203 207 53729073.5 . 2360759.25 . 8.243125753 . 117.4475607 . 66.9910882 . B 70 LEU H B 70 LEU N B 69 VAL CA 204 208 164121872 . 7125393.5 . 8.245135289 . 117.4719845 . 57.93801395 . B 70 LEU H B 70 LEU N B 70 LEU CA 67 69 241735692.5 . 9299095 . 8.700731167 . 119.4551567 . 57.87695664 . B 71 ILE H B 71 ILE N B 70 LEU CA 66 68 557819398 . 23912638 . 8.698614358 . 119.4797025 . 64.45269668 . B 71 ILE H B 71 ILE N B 71 ILE CA 242 246 110231728 . 4935694.5 . 8.046848993 . 119.1620661 . 64.45715758 . B 72 SER H B 72 SER N B 71 ILE CA 241 245 201870880.5 . 8618807 . 8.049077217 . 119.1794594 . 62.90810667 . B 72 SER H B 72 SER N B 72 SER CA 212 216 483450834 . 20970338 . 8.136560816 . 121.1025042 . 57.88974262 . B 73 LEU H B 73 LEU N B 73 LEU CA 214 218 79437975.5 . 3432519.25 . 8.131933288 . 121.073982 . 62.88755996 . B 73 LEU H B 73 LEU N B 72 SER CA 69 72 537998372 . 23046314 . 8.687246746 . 120.0142702 . 58.00695796 . B 74 LEU H B 74 LEU N B 74 LEU CA 108 111 157167818.5 . 6906250.5 . 8.540227804 . 116.9897562 . 58.03663388 . B 75 SER H B 75 SER N B 74 LEU CA 109 112 216088330.5 . 9442584 . 8.541110678 . 116.9908631 . 62.15713382 . B 75 SER H B 75 SER N B 75 SER CA 292 296 437054209 . 19100042 . 7.82720694 . 124.4529205 . 58.96011574 . B 76 TRP H B 76 TRP N B 76 TRP CA 293 297 70702011.5 . 3023294.5 . 7.827194944 . 124.4150378 . 62.10381934 . B 76 TRP H B 76 TRP N B 75 SER CA 74 77 105208952.2 . 4569180 . 8.671237856 . 105.1945556 . 58.94136224 . B 77 GLY H B 77 GLY N B 76 TRP CA 73 76 365612002 . 15994183 . 8.671461512 . 105.2346331 . 46.78177353 . B 77 GLY H B 77 GLY N B 77 GLY CA 218 222 113151326 . 5065067.5 . 8.217573094 . 113.285489 . 46.77011909 . B 78 PHE H B 78 PHE N B 77 GLY CA 217 221 256284311 . 11332326 . 8.216566161 . 113.2983545 . 58.26316481 . B 78 PHE H B 78 PHE N B 78 PHE CA 364 369 374212769 . 16262631 . 7.199792166 . 114.0784678 . 56.59576254 . B 79 PHE H B 79 PHE N B 79 PHE CA 363 368 118194839.5 . 5085736 . 7.200875586 . 114.0822235 . 58.25128175 . B 79 PHE H B 79 PHE N B 78 PHE CA 264 268 631191132 . 27742124 . 7.925673206 . 108.8705855 . 46.42945635 . B 80 GLY H B 80 GLY N B 80 GLY CA 265 269 133596450.5 . 5778044.5 . 7.925496155 . 108.835292 . 56.57698846 . B 80 GLY H B 80 GLY N B 79 PHE CA 308 312 260388717 . 11449361 . 7.750982532 . 120.4034927 . 46.42070575 . B 81 GLN H B 81 GLN N B 80 GLY CA 309 313 1035147014 . 45593520 . 7.752178166 . 120.4186735 . 55.03603634 . B 81 GLN H B 81 GLN N B 81 GLN CA 197 201 1716665032 . 76284936 . 8.244586333 . 123.9160579 . 55.83924385 . B 82 ARG H B 82 ARG N B 82 ARG CA 198 202 878478100 . 39078560 . 8.244431898 . 123.9165335 . 55.02549656 . B 82 ARG H B 82 ARG N B 81 GLN CA 237 241 1450940632 . 64553844 . 8.049136947 . 124.2571082 . 53.77228009 . B 83 LEU H B 83 LEU N B 83 LEU CA 238 242 843175258 . 37171296 . 8.048514873 . 124.2573591 . 55.83485397 . B 83 LEU H B 83 LEU N B 82 ARG CA 340 345 370135218 . 16166704 . 7.476972487 . 120.4509023 . 53.77413907 . B 84 ASP H B 84 ASP N B 83 LEU CA 339 344 1028814698 . 44850720 . 7.477247874 . 120.4936769 . 51.06253895 . B 84 ASP H B 84 ASP N B 84 ASP CA 53 55 522497852 . 22397992 . 8.734544343 . 118.7352081 . 59.32728981 . B 85 LEU H B 85 LEU N B 85 LEU CA 52 54 442947849 . 18982202 . 8.735148417 . 118.7136352 . 51.0433444 . B 85 LEU H B 85 LEU N B 84 ASP CA 336 341 521912308 . 22669004 . 7.498506052 . 117.7193256 . 55.39760629 . B 87 ALA H B 87 ALA N B 87 ALA CA 337 342 237542402 . 10258698 . 7.49797439 . 117.6578021 . 66.25871967 . B 87 ALA H B 87 ALA N A 86 PRO CA 263 267 344148521 . 15035343 . 7.954989489 . 117.9588371 . 64.62923909 . B 88 ILE H B 88 ILE N B 88 ILE CA 262 266 136310396 . 5951264 . 7.9539682 . 117.9602606 . 55.39099694 . B 88 ILE H B 88 ILE N B 87 ALA CA 68 70 402618279 . 16263442 . 8.67635049 . 119.499927 . 64.44633045 . B 89 ILE H B 89 ILE N B 89 ILE CA 393 399 585655512 . 25573306 . 8.839939588 . 107.4865448 . 47.62552551 . B 90 GLY H B 90 GLY N B 90 GLY CA 102 105 301070963.5 . 13140102 . 8.548772835 . 119.6902558 . 59.81713654 . B 91 MET H B 91 MET N B 91 MET CA 99 102 137977448.5 . 6038942.5 . 8.550038375 . 119.6828091 . 47.68543298 . B 91 MET H B 91 MET N B 90 GLY CA 137 140 269753266.5 . 11777747 . 8.434970741 . 119.5107963 . 59.48643846 . B 92 MET H B 92 MET N B 92 MET CA 186 190 180683791 . 7862676.5 . 8.302705254 . 119.3907635 . 58.24729881 . B 93 LEU H B 93 LEU N A 93 LEU CA 187 191 68404336.25 . 2982048.5 . 8.302481668 . 119.3919729 . 59.46104414 . B 93 LEU H B 93 LEU N B 92 MET CA 301 305 42706450.62 . 1897927.125 . 7.780033212 . 117.913905 . 58.27013763 . B 94 ILE H B 94 ILE N A 93 LEU CA 302 306 131085553.2 . 5689974 . 7.783916816 . 117.8693567 . 65.47791572 . B 94 ILE H B 94 ILE N A 94 ILE CA 233 237 163445265 . 7043398 . 8.132313862 . 116.1444382 . 64.36955972 . B 95 CYS H B 95 CYS N B 95 CYS CA 234 238 63045425.25 . 2758257.25 . 8.127310652 . 116.162944 . 65.44494944 . B 95 CYS H B 95 CYS N A 94 ILE CA 71 74 197865952 . 8838462 . 8.64979936 . 120.1761154 . 54.87238287 . B 96 ALA H B 96 ALA N B 96 ALA CA 145 148 86615524.75 . 3789600.25 . 8.452754027 . 105.6382158 . 54.84495537 . B 97 GLY H B 97 GLY N B 96 ALA CA 144 147 242570704.5 . 10582493 . 8.450836868 . 105.6693029 . 48.64570554 . B 97 GLY H B 97 GLY N B 97 GLY CA 220 224 195523497 . 8631283 . 8.204323922 . 120.168524 . 66.78035704 . B 98 VAL H B 98 VAL N B 98 VAL CA 219 223 93810976.75 . 4094651.25 . 8.206959621 . 120.1376979 . 48.63084743 . B 98 VAL H B 98 VAL N B 97 GLY CA 246 250 217148579 . 9640456 . 8.041270696 . 119.6323023 . 58.22258595 . B 99 LEU H B 99 LEU N B 99 LEU CA 245 249 69824939.62 . 3097080.75 . 8.039758736 . 119.6692965 . 66.75269932 . B 99 LEU H B 99 LEU N B 98 VAL CA 133 136 99420755.75 . 4348759.5 . 8.41135906 . 118.9096322 . 58.21788933 . B 100 ILE H B 100 ILE N B 99 LEU CA 134 137 332265008 . 13863375 . 8.410479033 . 119.0482423 . 65.71301959 . B 100 ILE H B 100 ILE N B 100 ILE CA 294 298 374035337 . 16256569 . 7.800398351 . 118.4150944 . 65.71465448 . B 101 ILE H B 101 ILE N B 101 ILE CA 235 239 288263987 . 12558852 . 8.097940508 . 115.1716671 . 56.66221725 . B 102 ASN H B 102 ASN N B 102 ASN CA 236 240 70399373.25 . 2987957.75 . 8.095132595 . 115.1830904 . 65.67775505 . B 102 ASN H B 102 ASN N B 101 ILE CA 126 129 103217620 . 4390786 . 8.455984684 . 114.5055634 . 56.62197987 . B 103 LEU H B 103 LEU N B 102 ASN CA 127 130 263314321 . 11466508 . 8.45558065 . 114.5061529 . 56.25875883 . B 103 LEU H B 103 LEU N B 103 LEU CA 304 308 68924681.75 . 2963226.25 . 7.77389659 . 114.052208 . 56.22770856 . B 104 LEU H B 104 LEU N B 103 LEU CA 303 307 216278528.5 . 9329899 . 7.773733629 . 114.0871667 . 54.69225452 . B 104 LEU H B 104 LEU N B 104 LEU CA 333 338 96162488.25 . 4192485 . 7.534926504 . 111.8570557 . 54.66572015 . B 105 SER H B 105 SER N B 104 LEU CA 334 339 422839613 . 18286372 . 7.537980792 . 111.8783947 . 58.0316117 . B 105 SER H B 105 SER N B 105 SER CA 3 4 179694711.5 . 7788950 . 10.03653113 . 129.0256757 . 58.01703843 . B 106 ARG H B 106 ARG N B 105 SER CA 1 2 291526210 . 12628679 . 10.03695096 . 129.0123294 . 54.71800983 . B 106 ARG H B 106 ARG N B 106 ARG CA 141 144 293920258 . 12584037 . 8.440568862 . 117.6816204 . 59.89568518 . B 107 SER H B 107 SER N B 107 SER CA 140 143 54318254 . 2279059 . 8.44624394 . 117.731879 . 54.7021788 . B 107 SER H B 107 SER N B 106 ARG CA 317 321 944311542 . 41155764 . 7.700044626 . 114.2400576 . 58.25403581 . B 108 THR H B 108 THR N B 108 THR CA 316 320 224753029.5 . 9844784 . 7.699188808 . 114.2561781 . 59.89652919 . B 108 THR H B 108 THR N B 107 SER CA 299 303 4940553248 . 222704016 . 7.736691092 . 123.5159766 . 56.81174702 . B 110 HIS H B 110 HIS N B 110 HIS CA 300 304 2350215264 . 105988888 . 7.736812836 . 123.5211845 . 63.20674206 . B 110 HIS H B 110 HIS N B 109 PRO CA ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . . ppm . . . . . . 51024 1 2 . . C 13 C . . . ppm . . . . . . 51024 1 3 . . N 15 N . . . ppm . . . . . . 51024 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 51024 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D HNCO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 899.7540283 6.202091636 11.99925253 circular true true 2 ppm 15N 91.18099976 33.23393017 132.9979542 circular true false 3 ppm 13C 226.2819977 11.04816126 182.6297325 circular true false _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 75 76 150209739.8 . 6096345 . 8.366743815 . 122.3967756 . 174.8504765 . A 2 ASN H A 2 ASN N A 1 MET C 119 120 67431352 . 2948227.75 . 8.009637885 . 116.1766118 . 177.6998249 . A 4 TYR H A 4 TYR N A 3 PRO C 208 214 79626798 . 3468833.5 . 7.776152777 . 120.3519304 . 178.3461972 . A 5 ILE H A 5 ILE N A 4 TYR C 187 191 56870429.62 . 2493625.5 . 7.159730889 . 119.1142224 . 178.2134013 . A 6 TYR H A 6 TYR N A 5 ILE C 133 134 106070449.2 . 4670288.5 . 7.889669267 . 119.8972005 . 178.1904929 . A 7 LEU H A 7 LEU N A 6 TYR C 32 33 93355476.5 . 4119088 . 8.70053996 . 106.5436497 . 178.9993894 . A 8 GLY H A 8 GLY N A 7 LEU C 20 21 87637268 . 3797222.75 . 8.803815163 . 109.5833247 . 175.7229671 . A 9 GLY H A 9 GLY N A 8 GLY C 200 204 135427512.8 . 5793121.5 . 8.931494573 . 125.002666 . 174.4475573 . A 10 ALA H A 10 ALA N A 9 GLY C 40 41 86099530.75 . 3752025.75 . 8.636949224 . 122.1409078 . 182.2556901 . A 11 ILE H A 11 ILE N A 10 ALA C 70 71 110752798.8 . 4655955.5 . 8.430036112 . 121.0055135 . 177.4388335 . A 12 LEU H A 12 LEU N A 11 ILE C 204 208 127309174.2 . 5423850.5 . 8.564679337 . 119.715639 . 178.3926266 . A 13 ALA H A 13 ALA N A 12 LEU C 131 132 99242159.5 . 4285284 . 7.905265312 . 119.9852227 . 178.8865667 . A 14 GLU H A 14 GLU N A 13 ALA C 201 205 88933199.5 . 3853897.75 . 8.505789002 . 121.547034 . 178.4466812 . A 15 VAL H A 15 VAL N A 14 GLU C 27 28 111552150.8 . 4905399 . 8.737336083 . 122.2192086 . 178.695603 . A 16 ILE H A 16 ILE N A 15 VAL C 52 53 126810185.8 . 5339728 . 8.538068696 . 108.2078527 . 177.9651857 . A 17 GLY H A 17 GLY N A 16 ILE C 214 225 23849248.94 . 1059606.125 . 7.585072747 . 116.6509675 . 174.1488893 . A 18 THR H A 18 THR N A 17 GLY C 169 171 69097554.5 . 3000431 . 7.513023724 . 117.3068828 . 174.9032153 . A 19 THR H A 19 THR N A 18 THR C 54 55 111221302.2 . 4849762 . 8.538436799 . 121.6107375 . 177.0564358 . A 20 LEU H A 20 LEU N A 19 THR C 115 116 119424130 . 5201579 . 8.056475396 . 121.4200895 . 178.4769746 . A 21 MET H A 21 MET N A 20 LEU C 160 161 122534695.8 . 5316278.5 . 7.581161213 . 124.7594759 . 181.5587535 . A 22 LYS H A 22 LYS N A 21 MET C 209 216 110305148.5 . 4827347.5 . 7.488801134 . 118.9435344 . 178.1945035 . A 23 PHE H A 23 PHE N A 22 LYS C 123 124 94045920.25 . 4117229.25 . 7.980923099 . 113.6486184 . 176.0543517 . A 24 SER H A 24 SER N A 23 PHE C 154 155 222127418 . 9688622 . 7.731068111 . 121.2174751 . 173.5720903 . A 25 GLU H A 25 GLU N A 24 SER C 3 3 105553836 . 4616965.5 . 9.421145387 . 111.9940621 . 177.9263174 . A 26 GLY H A 26 GLY N A 25 GLU C 125 126 112827117.8 . 4606329.5 . 7.945207381 . 113.8742027 . 174.8675833 . A 27 PHE H A 27 PHE N A 26 GLY C 163 165 39533819.25 . 1687984.875 . 7.575913614 . 102.2446906 . 173.8187833 . A 28 THR H A 28 THR N A 27 PHE C 180 182 64022061.5 . 2818424.5 . 7.379730544 . 119.7903259 . 175.0371104 . A 29 ARG H A 29 ARG N A 28 THR C 9 10 27324754.62 . 1158363.25 . 9.099949124 . 131.3128635 . 178.1846632 . A 30 LEU H A 30 LEU N A 29 ARG C 4 5 215637871.5 . 9433034 . 9.350346444 . 119.2300789 . 177.4231643 . A 31 TRP H A 31 TRP N A 30 LEU C 177 179 78333618 . 3391534.25 . 7.454258068 . 116.1969477 . 179.4796194 . A 33 SER H A 33 SER N A 32 PRO C 73 74 120509594.8 . 5119056.5 . 8.398615152 . 122.0396837 . 175.0664798 . A 34 VAL H A 34 VAL N A 33 SER C 15 16 110177572.2 . 4516235 . 8.85268964 . 104.9892689 . 178.4591277 . A 35 GLY H A 35 GLY N A 34 VAL C 99 100 53424183.25 . 2345023 . 8.236738992 . 121.1017749 . 174.5835521 . A 36 THR H A 36 THR N A 35 GLY C 174 176 84199190.25 . 3585249.5 . 7.473107969 . 119.375756 . 175.1539361 . A 37 ILE H A 37 ILE N A 36 THR C 86 87 85567000.25 . 3722620.5 . 8.3247934 . 118.5633887 . 178.191434 . A 38 ILE H A 38 ILE N A 37 ILE C 97 98 67213512 . 2915252.5 . 8.248712341 . 116.166284 . 177.6632448 . A 39 CYS H A 39 CYS N A 38 ILE C 56 57 89170048.25 . 3889294.5 . 8.460036624 . 118.9621339 . 177.5605003 . A 40 TYR H A 40 TYR N A 39 CYS C 72 73 72500488 . 3172489.25 . 8.426776479 . 117.2904211 . 178.3367108 . A 41 CYS H A 41 CYS N A 40 TYR C 63 64 96943531.25 . 4239091 . 8.382595422 . 119.3180315 . 176.5039341 . A 42 ALA H A 42 ALA N A 41 CYS C 49 50 101325840 . 4413973 . 8.554120967 . 112.4447839 . 178.578959 . A 43 SER H A 43 SER N A 42 ALA C 104 105 106628582.2 . 4610985.5 . 8.191760628 . 116.4277776 . 176.5274024 . A 44 PHE H A 44 PHE N A 43 SER C 83 84 117043125 . 4998549 . 8.372825306 . 120.8035085 . 177.5340712 . A 45 TRP H A 45 TRP N A 44 PHE C 18 19 96060804.25 . 4146137.25 . 8.823568691 . 118.6735792 . 178.3385783 . A 46 LEU H A 46 LEU N A 45 TRP C 211 221 72603713 . 3127622.75 . 8.429565527 . 121.1687544 . 179.4117789 . A 47 LEU H A 47 LEU N A 46 LEU C 98 99 114585042.5 . 4935312.5 . 8.211807167 . 121.3862982 . 179.0753138 . A 48 ALA H A 48 ALA N A 47 LEU C 179 181 100797874 . 4405642.5 . 7.381708805 . 114.4633227 . 179.9480347 . A 49 GLN H A 49 GLN N A 48 ALA C 161 162 44305334.75 . 1910165.875 . 7.587271047 . 111.2237475 . 178.2294021 . A 50 THR H A 50 THR N A 49 GLN C 184 188 97592602.25 . 4222420.5 . 7.210883721 . 119.9451362 . 176.6998691 . A 51 LEU H A 51 LEU N A 50 THR C 186 190 141844400.8 . 6187410 . 7.135618961 . 118.8246831 . 177.1758885 . A 52 ALA H A 52 ALA N A 51 LEU C 149 150 88403832.75 . 3845282.75 . 7.760702341 . 113.8833069 . 177.4973269 . A 53 TYR H A 53 TYR N A 52 ALA C 139 140 135825457.8 . 5950520 . 7.841761187 . 119.1331938 . 174.945566 . A 54 ILE H A 54 ILE N A 53 TYR C 100 101 177837676 . 7750180 . 8.210868667 . 118.2853203 . 177.7633697 . A 56 THR H A 56 THR N A 55 PRO C 21 22 129637982.5 . 5620344 . 8.785916269 . 107.1587113 . 175.8023449 . A 57 GLY H A 57 GLY N A 56 THR C 192 196 148336900.5 . 6448358 . 6.901646964 . 119.4512945 . 176.1236907 . A 58 ILE H A 58 ILE N A 57 GLY C 129 130 97190098.25 . 4226101.5 . 7.932473166 . 121.4064141 . 176.9200242 . A 59 ALA H A 59 ALA N A 58 ILE C 30 31 120910756.8 . 5258562 . 8.71659624 . 115.0992685 . 179.4539508 . A 60 TYR H A 60 TYR N A 59 ALA C 110 111 109782218.5 . 4777443.5 . 8.138867771 . 119.6817566 . 177.840085 . A 61 ALA H A 61 ALA N A 60 TYR C 106 107 98755374 . 4326860 . 8.176341256 . 115.9722968 . 179.9974887 . A 62 ILE H A 62 ILE N A 61 ALA C 28 29 92809472.25 . 4061664.5 . 8.724865208 . 121.3373006 . 177.1567363 . A 63 TRP H A 63 TRP N A 62 ILE C 7 8 88630792 . 3810900.25 . 9.183054042 . 119.4342716 . 181.0037554 . A 64 VAL H A 64 VAL N A 63 TRP C 65 66 63587025.5 . 2799789.25 . 8.45565341 . 109.3740736 . 177.4357725 . A 65 GLY H A 65 GLY N A 64 VAL C 45 46 74119281.25 . 3244398 . 8.58914238 . 118.1490746 . 174.7783714 . A 66 VAL H A 66 VAL N A 65 GLY C 191 195 55124860.12 . 2356595.5 . 7.009179531 . 105.9128446 . 178.2658075 . A 67 GLY H A 67 GLY N A 66 VAL C 23 24 132947667.2 . 5791664.5 . 8.760221373 . 120.9223057 . 174.3580869 . A 68 ILE H A 68 ILE N A 67 GLY C 175 177 93016471.5 . 4033191.75 . 7.458816079 . 119.5178818 . 178.9652191 . A 69 VAL H A 69 VAL N A 68 ILE C 198 202 43199128 . 1887351 . 8.572706114 . 118.0305933 . 177.6626156 . A 70 LEU H A 70 LEU N A 69 VAL C 12 13 124186933.8 . 5393802 . 9.042407673 . 119.7999877 . 179.3557972 . A 71 ILE H A 71 ILE N A 70 LEU C 135 136 80507500.75 . 3503472.5 . 7.864967586 . 118.4516809 . 179.5526084 . A 72 SER H A 72 SER N A 71 ILE C 78 79 129018756.8 . 5641726 . 8.354797241 . 123.8817511 . 176.5593796 . A 73 LEU H A 73 LEU N A 72 SER C 39 40 164731662.5 . 6961089 . 8.655658742 . 119.1917503 . 178.347051 . A 74 LEU H A 74 LEU N A 73 LEU C 95 96 107744526 . 4683679.5 . 8.257996781 . 115.2103169 . 179.0771482 . A 75 SER H A 75 SER N A 74 LEU C 146 147 139341283.5 . 6071371 . 7.776224871 . 125.0626162 . 176.8043355 . A 76 TRP H A 76 TRP N A 75 SER C 105 106 110478703.8 . 4841770.5 . 8.188925536 . 103.8906476 . 177.7279016 . A 77 GLY H A 77 GLY N A 76 TRP C 57 58 122437643 . 5305188 . 8.471916169 . 114.3582853 . 173.6749951 . A 78 PHE H A 78 PHE N A 77 GLY C 194 198 109900216.8 . 4793569 . 6.816714297 . 112.2717387 . 176.628204 . A 79 PHE H A 79 PHE N A 78 PHE C 176 178 140124721 . 6048702.5 . 7.47145101 . 108.7958236 . 176.5476116 . A 80 GLY H A 80 GLY N A 79 PHE C 156 157 190824781 . 8386349.5 . 7.687728594 . 119.5122611 . 175.0481529 . A 81 GLN H A 81 GLN N A 80 GLY C 150 151 317788146 . 13895101 . 7.76242943 . 125.8576808 . 174.185859 . A 82 ARG H A 82 ARG N A 81 GLN C 196 200 191598252.5 . 8302506.5 . 6.416488546 . 122.5738576 . 175.2290902 . A 83 LEU H A 83 LEU N A 82 ARG C 173 175 262212063.5 . 11384261 . 7.467395755 . 119.0119682 . 174.8060047 . A 84 ASP H A 84 ASP N A 83 LEU C 24 25 221688096 . 9298243 . 8.756421522 . 118.5280401 . 175.4159482 . A 85 LEU H A 85 LEU N A 84 ASP C 165 167 142084388.5 . 6150654 . 7.54650805 . 117.4428472 . 177.8734308 . A 87 ALA H A 87 ALA N B 86 PRO C 92 93 130375074.2 . 5627965 . 8.267875616 . 118.2415862 . 179.1295204 . A 88 ILE H A 88 ILE N A 87 ALA C 22 23 105525625 . 4555817 . 8.784075884 . 119.2321829 . 178.2300904 . A 89 ILE H A 89 ILE N A 88 ILE C 16 17 177656411 . 7736563 . 8.844277753 . 107.4865448 . 178.3365367 . A 90 GLY H A 90 GLY N A 89 ILE C 41 42 98053128.25 . 4286989.5 . 8.642103652 . 120.6665778 . 175.6933334 . A 91 MET H A 91 MET N A 90 GLY C 47 48 70859942.25 . 2936065.75 . 8.584165802 . 120.1396904 . 178.5566879 . A 92 MET H A 92 MET N A 91 MET C 94 95 65443924.88 . 2902935.5 . 8.254571277 . 120.3981709 . 178.2009529 . A 93 LEU H A 93 LEU N A 92 MET C 126 127 41019316.88 . 1779328.625 . 7.96568149 . 118.4938721 . 178.8196805 . A 94 ILE H A 94 ILE N A 93 LEU C 68 69 56199084.88 . 2427429.25 . 8.439758132 . 116.8416919 . 177.7086072 . A 95 CYS H A 95 CYS N A 94 ILE C 19 20 60408968.75 . 2639053.5 . 8.81127175 . 120.0267381 . 176.5332199 . A 96 ALA H A 96 ALA N A 95 CYS C 50 51 67030266.25 . 2933518.75 . 8.547985026 . 105.6322615 . 179.0017547 . A 97 GLY H A 97 GLY N A 96 ALA C 82 83 86479212.25 . 3737575.75 . 8.3530275 . 120.6313296 . 175.1364566 . A 98 VAL H A 98 VAL N A 97 GLY C 111 112 56757300.25 . 2452059 . 8.140815462 . 120.5081573 . 178.5564119 . A 99 LEU H A 99 LEU N A 98 VAL C 61 62 101066937 . 4237024 . 8.452435006 . 119.2332768 . 178.2032933 . A 100 ILE H A 100 ILE N A 99 LEU C 120 121 86513736.75 . 3772278.25 . 8.02802083 . 117.7076403 . 177.6694969 . A 101 ILE H A 101 ILE N A 100 ILE C 178 180 62909496.75 . 2709845.5 . 7.446723301 . 114.2219343 . 176.698169 . A 102 ASN H A 102 ASN N A 101 ILE C 80 81 69902566.5 . 3020590.5 . 8.365634406 . 115.3339746 . 175.9377883 . A 103 LEU H A 103 LEU N A 102 ASN C 158 159 97582093.25 . 4284047.5 . 7.660234521 . 114.741185 . 177.5837351 . A 104 LEU H A 104 LEU N A 103 LEU C 189 193 208135434 . 9091106 . 7.065103135 . 112.7061819 . 176.6271747 . A 105 SER H A 105 SER N A 104 LEU C 5 6 245360615.5 . 10735308 . 9.256769497 . 127.1777928 . 175.2255049 . A 106 ARG H A 106 ARG N A 105 SER C 76 77 104701264 . 4619781 . 8.359910742 . 117.1243105 . 176.3928767 . A 107 SER H A 107 SER N A 106 ARG C 140 141 496432755 . 21943516 . 7.836174092 . 117.2362907 . 174.2477674 . A 108 THR H A 108 THR N A 107 SER C 136 137 1049914270 . 46646364 . 7.794710704 . 123.6731986 . 175.5553925 . A 110 HIS H A 110 HIS N A 109 PRO C 101 102 235767265.5 . 10327442 . 8.177518426 . 121.641951 . 175.1627845 . B 2 ASN H B 2 ASN N B 1 MET C 79 80 76964662.75 . 3351326.5 . 8.360271568 . 116.3689638 . 178.005952 . B 4 TYR H B 4 TYR N B 3 PRO C 145 146 65469655.75 . 2849131.25 . 7.798951344 . 121.1258771 . 178.4139412 . B 5 ILE H B 5 ILE N B 4 TYR C 183 185 67660726.5 . 2956890.5 . 6.880956657 . 118.7612106 . 178.085322 . B 6 TYR H B 6 TYR N B 5 ILE C 121 122 80904788 . 3503210.5 . 7.994194555 . 120.0624797 . 178.1554136 . B 7 LEU H B 7 LEU N B 6 TYR C 26 27 80643767.75 . 3503920.5 . 8.749048878 . 106.3962219 . 178.7415876 . B 8 GLY H B 8 GLY N B 7 LEU C 29 30 96502082.75 . 4238337 . 8.723196996 . 109.3431301 . 175.5877923 . B 9 GLY H B 9 GLY N B 8 GLY C 14 15 144689077.5 . 6162009 . 8.910718069 . 124.8577737 . 174.3584444 . B 10 ALA H B 10 ALA N B 9 GLY C 43 44 106360032 . 4589259 . 8.607031128 . 122.9252698 . 182.2682507 . B 11 ILE H B 11 ILE N B 10 ALA C 81 82 99672430.75 . 4348378.5 . 8.341729421 . 120.6341963 . 177.1464457 . B 12 LEU H B 12 LEU N B 11 ILE C 55 56 118954368.5 . 5158642 . 8.499401921 . 119.2999065 . 178.3110691 . B 13 ALA H B 13 ALA N B 12 LEU C 153 154 93156826 . 4080456.75 . 7.754866067 . 119.3010767 . 178.6937737 . B 14 GLU H B 14 GLU N B 13 ALA C 71 72 110860374.8 . 4584289.5 . 8.402965736 . 121.4766695 . 177.7918957 . B 15 VAL H B 15 VAL N B 14 GLU C 46 47 106176992.8 . 4631518 . 8.579118954 . 122.155956 . 179.0931679 . B 16 ILE H B 16 ILE N B 15 VAL C 53 54 111322641 . 4646050.5 . 8.506089641 . 108.0163742 . 177.8912956 . B 17 GLY H B 17 GLY N B 16 ILE C 210 220 66516468.62 . 2884104.25 . 8.471110802 . 118.7991104 . 174.5768121 . B 18 THR H B 18 THR N B 17 GLY C 143 144 79098993.5 . 3417160.25 . 7.79827213 . 119.4234191 . 175.3760482 . B 19 THR H B 19 THR N B 18 THR C 91 92 123200391.5 . 5352449.5 . 8.289500227 . 120.6331919 . 176.150651 . B 20 LEU H B 20 LEU N B 19 THR C 107 108 137629035.2 . 5959040.5 . 8.156655692 . 121.2279412 . 178.9734584 . B 21 MET H B 21 MET N B 20 LEU C 151 152 155165166 . 6747693 . 7.750988237 . 122.3491133 . 181.2331897 . B 22 LYS H B 22 LYS N B 21 MET C 159 160 181289063.5 . 7960742 . 7.63523203 . 117.8269755 . 178.3165705 . B 23 PHE H B 23 PHE N B 22 LYS C 130 131 136503938 . 5963632 . 7.913110602 . 114.9848524 . 175.6648801 . B 24 SER H B 24 SER N B 23 PHE C 109 110 253177444 . 11065170 . 8.147965566 . 122.2251709 . 173.7472654 . B 25 GLU H B 25 GLU N B 24 SER C 8 9 123234894.2 . 5349109 . 9.150930891 . 112.8989911 . 178.0357199 . B 26 GLY H B 26 GLY N B 25 GLU C 124 125 165819901.5 . 7060025.5 . 7.943496829 . 113.9635151 . 174.6637394 . B 27 PHE H B 27 PHE N B 26 GLY C 162 164 36345810.88 . 1570294.75 . 7.546846402 . 102.4511038 . 174.2107089 . B 28 THR H B 28 THR N B 27 PHE C 164 166 104692397.8 . 4588615 . 7.557556073 . 120.6714965 . 175.370421 . B 29 ARG H B 29 ARG N B 28 THR C 13 14 28282221.25 . 1218216.375 . 8.951079986 . 130.9052459 . 177.908533 . B 30 LEU H B 30 LEU N B 29 ARG C 6 7 242346905.5 . 10625846 . 9.219964303 . 118.6837416 . 177.4968403 . B 31 TRP H B 31 TRP N B 30 LEU C 182 184 106946121.5 . 4667642.5 . 7.313295445 . 115.6960668 . 179.1969381 . B 33 SER H B 33 SER N B 32 PRO C 74 75 145951777 . 6293461.5 . 8.437110543 . 121.8830846 . 175.2076612 . B 34 VAL H B 34 VAL N B 33 SER C 17 18 93432590.75 . 3853798.25 . 8.844896311 . 105.3891919 . 178.5290256 . B 35 GLY H B 35 GLY N B 34 VAL C 85 86 66169367.12 . 2876372.75 . 8.322057954 . 121.2519811 . 174.7428715 . B 36 THR H B 36 THR N B 35 GLY C 167 169 95406624.75 . 4229053.5 . 7.539407921 . 119.6080505 . 175.5999993 . B 37 ILE H B 37 ILE N B 36 THR C 62 63 66609994.44 . 2559329 . 8.419686988 . 119.3471128 . 178.3359123 . B 38 ILE H B 38 ILE N B 37 ILE C 88 89 66792570 . 2825691.5 . 8.31134776 . 116.4908649 . 177.7515065 . B 39 CYS H B 39 CYS N B 38 ILE C 44 45 87805074.5 . 3842377.75 . 8.586752765 . 118.8893484 . 177.6058386 . B 40 TYR H B 40 TYR N B 39 CYS C 197 201 61448147.88 . 2676628.75 . 8.602633511 . 117.9451651 . 178.3282957 . B 41 CYS H B 41 CYS N B 40 TYR C 90 91 96423269.75 . 4151847.25 . 8.298502676 . 119.8333181 . 176.573621 . B 42 ALA H B 42 ALA N B 41 CYS C 58 59 83833256.25 . 3717310.5 . 8.46179738 . 112.200685 . 178.4858743 . B 43 SER H B 43 SER N B 42 ALA C 89 90 89655502.75 . 3943789 . 8.291765235 . 116.2319277 . 176.8420695 . B 44 PHE H B 44 PHE N B 43 SER C 69 70 81538914.25 . 3569493.75 . 8.407826247 . 121.242462 . 177.7211392 . B 45 TRP H B 45 TRP N B 44 PHE C 212 223 74142998.12 . 3227512 . 8.63146205 . 118.921308 . 178.8262191 . B 46 LEU H B 46 LEU N B 45 TRP C 37 38 72207440.25 . 3192373.5 . 8.657627038 . 121.2158171 . 179.0979535 . B 47 LEU H B 47 LEU N B 46 LEU C 199 203 88398802.5 . 3826183.25 . 8.764461837 . 121.2252467 . 180.1095846 . B 48 ALA H B 48 ALA N B 47 LEU C 181 183 98131536 . 4221650.5 . 7.339078055 . 114.902703 . 180.5599835 . B 49 GLN H B 49 GLN N B 48 ALA C 171 173 34943681.62 . 1491556 . 7.498346393 . 107.3397227 . 177.5665981 . B 50 THR H B 50 THR N B 49 GLN C 193 197 92465194.75 . 4024351 . 6.853024308 . 117.9072663 . 177.1391694 . B 51 LEU H B 51 LEU N B 50 THR C 188 192 110647516.8 . 4814441 . 7.078818978 . 120.1706181 . 176.9346405 . B 52 ALA H B 52 ALA N B 51 LEU C 166 168 80164863.75 . 3456507.25 . 7.557131627 . 113.1807474 . 177.1121967 . B 53 TYR H B 53 TYR N B 52 ALA C 10 11 34415374.62 . 1467858.875 . 9.112051525 . 124.0235301 . 176.9010768 . B 56 THR H B 56 THR N B 55 PRO C 2 2 68790071.75 . 2962658.25 . 9.939585716 . 106.6268156 . 175.9865048 . B 57 GLY H B 57 GLY N B 56 THR C 195 199 105052354.5 . 4556808.5 . 6.477519905 . 117.9040039 . 175.275501 . B 58 ILE H B 58 ILE N B 57 GLY C 84 85 103490676.5 . 4453569 . 8.336547353 . 121.8780043 . 176.7994186 . B 59 ALA H B 59 ALA N B 58 ILE C 77 78 120443967.8 . 5212421 . 8.374066065 . 115.8786717 . 178.7787519 . B 60 TYR H B 60 TYR N B 59 ALA C 118 119 117681104 . 5064498 . 8.052001177 . 118.3879824 . 176.8658822 . B 61 ALA H B 61 ALA N B 60 TYR C 51 52 97282382.75 . 4217149 . 8.528347153 . 117.0381541 . 179.9528284 . B 62 ILE H B 62 ILE N B 61 ALA C 67 68 95967758.75 . 4157096 . 8.445210531 . 121.8743865 . 176.8839978 . B 63 TRP H B 63 TRP N B 62 ILE C 36 37 99323717.5 . 4278293 . 8.671462387 . 120.2018426 . 180.2026178 . B 64 VAL H B 64 VAL N B 63 TRP C 42 43 70343604 . 3028418.5 . 8.611815892 . 108.1295614 . 177.9761141 . B 65 GLY H B 65 GLY N B 64 VAL C 11 12 91558901.75 . 3956150.25 . 9.0351262 . 120.1471408 . 175.1652758 . B 66 VAL H B 66 VAL N B 65 GLY C 190 194 101603177.2 . 4426165.5 . 7.036667229 . 106.4004847 . 177.9150729 . B 67 GLY H B 67 GLY N B 66 VAL C 132 133 144284818.8 . 6250338.5 . 7.907512654 . 120.8619059 . 174.5585948 . B 68 ILE H B 68 ILE N B 67 GLY C 155 156 102339293 . 4481591.5 . 7.707063027 . 122.4590778 . 178.9191922 . B 69 VAL H B 69 VAL N B 68 ILE C 96 97 48826898.38 . 2113157.5 . 8.247771004 . 117.483344 . 177.0628129 . B 70 LEU H B 70 LEU N B 69 VAL C 33 34 169684716 . 7369663 . 8.701818635 . 119.4899138 . 179.0316878 . B 71 ILE H B 71 ILE N B 70 LEU C 116 117 107399389 . 4662372 . 8.04794782 . 119.1638454 . 178.8122325 . B 72 SER H B 72 SER N B 71 ILE C 108 109 142542288 . 6177256 . 8.136774847 . 121.0920479 . 176.4588165 . B 73 LEU H B 73 LEU N B 72 SER C 34 35 151949766.5 . 6606872.5 . 8.688632723 . 120.0359617 . 179.3208441 . B 74 LEU H B 74 LEU N B 73 LEU C 205 209 141725288.8 . 6190083 . 8.542293673 . 116.9989367 . 179.3245401 . B 75 SER H B 75 SER N B 74 LEU C 141 142 154312104 . 6683924 . 7.827624778 . 124.4527242 . 176.6317788 . B 76 TRP H B 76 TRP N B 75 SER C 35 36 102223622.2 . 4448370.5 . 8.672044652 . 105.2282635 . 177.897217 . B 77 GLY H B 77 GLY N B 76 TRP C 102 103 89338136.5 . 3950972 . 8.217910908 . 113.2815289 . 173.5611258 . B 78 PHE H B 78 PHE N B 77 GLY C 185 189 135273130.5 . 5932187.5 . 7.200251384 . 114.0852546 . 176.1154526 . B 79 PHE H B 79 PHE N B 78 PHE C 128 129 201426837.5 . 8758919 . 7.926708735 . 108.8638707 . 176.9145849 . B 80 GLY H B 80 GLY N B 79 PHE C 152 153 339329778 . 14961894 . 7.752279278 . 120.421524 . 174.6505972 . B 81 GLN H B 81 GLN N B 80 GLY C 93 94 555763492 . 24556434 . 8.245289237 . 123.9163688 . 174.9973097 . B 82 ARG H B 82 ARG N B 81 GLN C 114 115 517314230 . 22833296 . 8.049387724 . 124.2590964 . 176.5101574 . B 83 LEU H B 83 LEU N B 82 ARG C 172 174 358792636 . 15689239 . 7.47838877 . 120.4908311 . 174.5713618 . B 84 ASP H B 84 ASP N B 83 LEU C 25 26 228001934.5 . 9749974 . 8.735451753 . 118.7105855 . 175.3672533 . B 85 LEU H B 85 LEU N B 84 ASP C 170 172 166210639 . 7206463.5 . 7.498809553 . 117.7187948 . 177.6207651 . B 87 ALA H B 87 ALA N A 86 PRO C 127 128 131830765.8 . 5746125 . 7.955168427 . 117.9556871 . 179.3816015 . B 88 ILE H B 88 ILE N B 87 ALA C 203 207 137885249.5 . 5811471.5 . 8.676221441 . 119.4395419 . 178.3271552 . B 89 ILE H B 89 ILE N B 88 ILE C 213 224 168050138.5 . 7274502.5 . 8.844277753 . 107.4865448 . 178.4304963 . B 90 GLY H B 90 GLY N B 89 ILE C 48 49 107885831.5 . 4739689.5 . 8.548859118 . 119.6775181 . 175.5237026 . B 91 MET H B 91 MET N B 90 GLY C 59 60 122862241 . 5114824 . 8.435199796 . 119.4986503 . 178.3931102 . B 92 MET H B 92 MET N B 91 MET C 87 88 57711105.25 . 2536390.5 . 8.302797582 . 119.4064218 . 177.9447957 . B 93 LEU H B 93 LEU N B 92 MET C 207 213 -1659108.188 . -88263.34375 . 7.760277303 . 117.9207257 . 177.7614059 . B 94 ILE H B 94 ILE N B 94 ILE C 147 148 44288211.75 . 1921275.5 . 7.782908318 . 117.8677201 . 178.5791791 . B 94 ILE H B 94 ILE N B 93 LEU C 112 113 49214861.38 . 2176912.75 . 8.130732341 . 116.1502542 . 177.784443 . B 95 CYS H B 95 CYS N B 94 ILE C 38 39 76044336 . 3363187 . 8.650068894 . 120.1715889 . 176.2365484 . B 96 ALA H B 96 ALA N B 95 CYS C 66 67 65152362.62 . 2805202.5 . 8.45184521 . 105.6665391 . 178.7787439 . B 97 GLY H B 97 GLY N B 96 ALA C 103 104 71468552.25 . 3150285 . 8.206210064 . 120.1594707 . 174.9724371 . B 98 VAL H B 98 VAL N B 97 GLY C 117 118 72839905.25 . 3148356.75 . 8.04242062 . 119.6545521 . 177.6486621 . B 99 LEU H B 99 LEU N B 98 VAL C 60 61 127500778.5 . 5230531 . 8.411952221 . 118.989842 . 178.2166024 . B 100 ILE H B 100 ILE N B 99 LEU C 144 145 86488482.25 . 3793133.75 . 7.801203276 . 118.4388337 . 177.7102302 . B 101 ILE H B 101 ILE N B 100 ILE C 113 114 82789555 . 3630820.75 . 8.097396782 . 115.1833252 . 177.5118809 . B 102 ASN H B 102 ASN N B 101 ILE C 202 206 94841343 . 4155743.75 . 8.456346642 . 114.5084233 . 176.4848694 . B 103 LEU H B 103 LEU N B 102 ASN C 148 149 74507441 . 3256449.25 . 7.773904515 . 114.1018232 . 178.3141793 . B 104 LEU H B 104 LEU N B 103 LEU C 168 170 118367878.5 . 5160684.5 . 7.539273814 . 111.882011 . 177.0849136 . B 105 SER H B 105 SER N B 104 LEU C 1 1 134333848.8 . 5857320 . 10.03678833 . 129.0167334 . 176.25785 . B 106 ARG H B 106 ARG N B 105 SER C 64 65 92627741.75 . 4061356.5 . 8.440976073 . 117.6888558 . 177.0719026 . B 107 SER H B 107 SER N B 106 ARG C 157 158 328320708 . 14380140 . 7.703437653 . 114.2601168 . 173.4773509 . B 108 THR H B 108 THR N B 107 SER C 137 138 2349436056 . 107028064 . 7.735002713 . 123.5240146 . 175.8466481 . B 110 HIS H B 110 HIS N B 109 PRO C ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . . ppm . . . . . . 51024 2 2 . . C 13 C . . . ppm . . . . . . 51024 2 3 . . N 15 N . . . ppm . . . . . . 51024 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 51024 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D HNCOCA' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 750.2940063 6.205714443 12.00819052 circular true true 2 ppm 15N 76.03500366 32.87959334 133.3157967 circular true false 3 ppm 13C 188.6710052 28.64989656 71.52477928 circular true false _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 83 84 316717942 . 13216293 . 8.374672787 . 122.5950985 . 54.72136537 . A 2 ASN H A 2 ASN N A 1 MET CA 128 131 67470667.25 . 2840010.75 . 8.024783276 . 116.2957214 . 64.3934961 . A 4 TYR H A 4 TYR N A 3 PRO CA 207 216 65016451.88 . 2721425 . 7.775919063 . 120.4435993 . 60.93238597 . A 5 ILE H A 5 ILE N A 4 TYR CA 190 199 43993048.12 . 1782344.375 . 7.130425009 . 119.1300366 . 64.20994609 . A 6 TYR H A 6 TYR N A 5 ILE CA 141 144 75641225.5 . 3140715 . 7.876683393 . 119.9819784 . 60.97350868 . A 7 LEU H A 7 LEU N A 6 TYR CA 32 32 86847395.25 . 3610653.75 . 8.693673921 . 106.6539888 . 57.3591046 . A 8 GLY H A 8 GLY N A 7 LEU CA 21 21 89373823.5 . 3748113.5 . 8.791313678 . 109.6613964 . 47.16554732 . A 9 GLY H A 9 GLY N A 8 GLY CA 15 15 106476495.2 . 4408257 . 8.923084408 . 125.09776 . 47.42732054 . A 10 ALA H A 10 ALA N A 9 GLY CA 42 43 83255174.5 . 3454153.25 . 8.627008631 . 122.2869879 . 55.34385511 . A 11 ILE H A 11 ILE N A 10 ALA CA 77 78 81329411 . 3408634 . 8.418287496 . 121.079492 . 64.44201144 . A 12 LEU H A 12 LEU N A 11 ILE CA 53 54 104741779.5 . 4336122.5 . 8.548455843 . 119.7594086 . 58.15663933 . A 13 ALA H A 13 ALA N A 12 LEU CA 140 143 85906849.75 . 3569002.5 . 7.899222305 . 120.0899125 . 55.42898835 . A 14 GLU H A 14 GLU N A 13 ALA CA 59 60 77788772.75 . 3252296.25 . 8.496922455 . 121.6644567 . 58.51224893 . A 15 VAL H A 15 VAL N A 14 GLU CA 28 28 94078320.5 . 3875197.25 . 8.726725044 . 122.3293694 . 65.17347961 . A 16 ILE H A 16 ILE N A 15 VAL CA 204 213 105015652.8 . 4358127.5 . 8.52168845 . 108.2159534 . 64.35039249 . A 17 GLY H A 17 GLY N A 16 ILE CA 202 211 95524866.5 . 3626306.25 . 7.504613013 . 117.3099556 . 66.02462231 . A 19 THR H A 19 THR N A 18 THR CA 58 59 77529487 . 3272448.75 . 8.524579071 . 121.7436378 . 66.92629905 . A 20 LEU H A 20 LEU N A 19 THR CA 124 127 117059901 . 4860512 . 8.044814951 . 121.5431778 . 57.64318337 . A 21 MET H A 21 MET N A 20 LEU CA 167 170 112935787 . 4709383.5 . 7.563343342 . 124.8860596 . 59.30389325 . A 22 LYS H A 22 LYS N A 21 MET CA 178 183 94367720 . 3933078.5 . 7.472818193 . 119.0630345 . 59.50964188 . A 23 PHE H A 23 PHE N A 22 LYS CA 132 135 76359612 . 3166537.5 . 7.969591504 . 113.7101924 . 59.8117126 . A 24 SER H A 24 SER N A 23 PHE CA 161 164 212209639.5 . 8818493 . 7.717078924 . 121.3085791 . 60.48533618 . A 25 GLU H A 25 GLU N A 24 SER CA 3 3 89981494.5 . 3749544.75 . 9.420146107 . 112.1416631 . 55.89812279 . A 26 GLY H A 26 GLY N A 25 GLU CA 134 137 86134981.5 . 3599053.5 . 7.923188293 . 113.8601228 . 45.94589432 . A 27 PHE H A 27 PHE N A 26 GLY CA 211 221 12500582.97 . 516204.0312 . 7.580144889 . 102.2575454 . 59.52438987 . A 28 THR H A 28 THR N A 27 PHE CA 210 219 64201200 . 2665483.25 . 7.361570529 . 119.86781 . 61.97661002 . A 29 ARG H A 29 ARG N A 28 THR CA 9 9 37547350.62 . 1568004.125 . 9.09488467 . 131.5171613 . 54.02818465 . A 30 LEU H A 30 LEU N A 29 ARG CA 4 4 206787015.5 . 8666167 . 9.350904176 . 119.3486807 . 59.9144541 . A 31 TRP H A 31 TRP N A 30 LEU CA 182 188 73339077.5 . 3068714.25 . 7.446046587 . 116.308582 . 65.17423169 . A 33 SER H A 33 SER N A 32 PRO CA 81 82 95747802.5 . 3971111.75 . 8.390354396 . 122.1228536 . 63.77706957 . A 34 VAL H A 34 VAL N A 33 SER CA 16 16 134125551.5 . 5518939.5 . 8.83667967 . 105.0437936 . 66.50494595 . A 35 GLY H A 35 GLY N A 34 VAL CA 106 108 49163863.12 . 2070695 . 8.223202442 . 121.2388893 . 47.69207721 . A 36 THR H A 36 THR N A 35 GLY CA 181 187 24329335.5 . 991739 . 7.468452983 . 119.6043384 . 68.41164888 . A 37 ILE H A 37 ILE N A 36 THR CA 94 95 83228252.5 . 3415834.25 . 8.306236135 . 118.6541438 . 65.09367704 . A 38 ILE H A 38 ILE N A 37 ILE CA 105 107 54261380.5 . 2246957 . 8.233590379 . 116.1912537 . 65.39100848 . A 39 CYS H A 39 CYS N A 38 ILE CA 61 62 82411445.5 . 3446800.75 . 8.450630754 . 119.0644291 . 65.31671704 . A 40 TYR H A 40 TYR N A 39 CYS CA 80 81 62533994.75 . 2589068.5 . 8.408354037 . 117.4002603 . 60.8129711 . A 41 CYS H A 41 CYS N A 40 TYR CA 69 70 122605789 . 5028968 . 8.369718312 . 119.414904 . 64.95502902 . A 42 ALA H A 42 ALA N A 41 CYS CA 54 55 93112770.5 . 3873041.5 . 8.546424994 . 112.538865 . 54.89513018 . A 43 SER H A 43 SER N A 42 ALA CA 115 117 74341256.5 . 3044605 . 8.18071694 . 116.4712796 . 62.93696362 . A 44 PHE H A 44 PHE N A 43 SER CA 90 91 80447326.5 . 3326142 . 8.358816073 . 120.8454575 . 59.97447346 . A 45 TRP H A 45 TRP N A 44 PHE CA 19 19 73619310.5 . 3080195.75 . 8.816628607 . 118.7785734 . 62.17705793 . A 46 LEU H A 46 LEU N A 45 TRP CA 79 80 79789305.25 . 3359542.75 . 8.420034852 . 121.2708411 . 57.87410488 . A 47 LEU H A 47 LEU N A 46 LEU CA 107 109 110249798 . 4590903.5 . 8.198125016 . 121.4747413 . 57.27159213 . A 48 ALA H A 48 ALA N A 47 LEU CA 184 190 91353405.75 . 3740916.25 . 7.370683676 . 114.6013334 . 54.6530054 . A 49 GLN H A 49 GLN N A 48 ALA CA 168 171 43471564.62 . 1806183.125 . 7.57264094 . 111.3448642 . 56.39350935 . A 50 THR H A 50 THR N A 49 GLN CA 187 195 80241918 . 3328108.25 . 7.197766992 . 119.9907482 . 65.52873815 . A 51 LEU H A 51 LEU N A 50 THR CA 189 197 122930260.5 . 5129141.5 . 7.120254294 . 118.9367278 . 55.88596266 . A 52 ALA H A 52 ALA N A 51 LEU CA 208 217 61534322.5 . 2594170.75 . 7.741156346 . 113.9682778 . 52.81723066 . A 53 TYR H A 53 TYR N A 52 ALA CA 147 150 126028099.5 . 5188821 . 7.828919101 . 119.2755181 . 58.12163534 . A 54 ILE H A 54 ILE N A 53 TYR CA 112 114 190980300.5 . 7971852.5 . 8.204187261 . 118.4071789 . 62.72996168 . A 56 THR H A 56 THR N A 55 PRO CA 22 22 107627944.2 . 4481370 . 8.778939908 . 107.2628 . 65.80504872 . A 57 GLY H A 57 GLY N A 56 THR CA 195 204 119169618.2 . 5021055 . 6.887311893 . 119.5455183 . 47.21881671 . A 58 ILE H A 58 ILE N A 57 GLY CA 138 141 84746648.25 . 3474648 . 7.918722749 . 121.4649476 . 64.35438745 . A 59 ALA H A 59 ALA N A 58 ILE CA 31 31 101235640 . 4265879.5 . 8.706960899 . 115.182507 . 55.46430605 . A 60 TYR H A 60 TYR N A 59 ALA CA 119 122 98957545.5 . 4139304 . 8.127546329 . 119.7487456 . 60.84538158 . A 61 ALA H A 61 ALA N A 60 TYR CA 117 119 88337280.25 . 3681542 . 8.16054682 . 116.0676917 . 55.23165401 . A 62 ILE H A 62 ILE N A 61 ALA CA 29 29 80973587 . 3321050.75 . 8.71680568 . 121.4440306 . 64.84996039 . A 63 TRP H A 63 TRP N A 62 ILE CA 7 7 76347858.25 . 3143161.25 . 9.181568254 . 119.5644648 . 61.74367556 . A 64 VAL H A 64 VAL N A 63 TRP CA 72 73 61743409.38 . 2615626 . 8.444213574 . 109.5340255 . 64.78827842 . A 65 GLY H A 65 GLY N A 64 VAL CA 47 48 84014695 . 3555384 . 8.573760251 . 118.2047715 . 47.01383737 . A 66 VAL H A 66 VAL N A 65 GLY CA 194 203 56150370.12 . 2277732.5 . 6.997462268 . 106.0032709 . 65.95796932 . A 67 GLY H A 67 GLY N A 66 VAL CA 205 214 120587703.8 . 5102236.5 . 8.753968376 . 121.0639167 . 46.97676301 . A 68 ILE H A 68 ILE N A 67 GLY CA 180 185 99657182.5 . 4177514.5 . 7.450392332 . 119.6621981 . 66.19516389 . A 69 VAL H A 69 VAL N A 68 ILE CA 49 50 57066626.5 . 2355847.25 . 8.561385463 . 118.1384101 . 66.81475882 . A 70 LEU H A 70 LEU N A 69 VAL CA 12 12 110982334.2 . 4623845.5 . 9.029707325 . 119.9080694 . 57.67899996 . A 71 ILE H A 71 ILE N A 70 LEU CA 144 147 56984118.38 . 2358906.25 . 7.849774447 . 118.5458953 . 65.5086037 . A 72 SER H A 72 SER N A 71 ILE CA 86 87 86359024.75 . 3616816.75 . 8.344229892 . 123.9989134 . 62.99691633 . A 73 LEU H A 73 LEU N A 72 SER CA 41 42 120947748 . 5044578.5 . 8.639425554 . 119.2458621 . 58.08910383 . A 74 LEU H A 74 LEU N A 73 LEU CA 103 105 76747231.25 . 3175195.75 . 8.241873417 . 115.305947 . 57.98270546 . A 75 SER H A 75 SER N A 74 LEU CA 155 158 50047274.12 . 2120919.5 . 7.761919403 . 125.1343819 . 62.69842461 . A 76 TRP H A 76 TRP N A 75 SER CA 116 118 100574893.8 . 4201991.5 . 8.171873774 . 103.9930629 . 59.13130612 . A 77 GLY H A 77 GLY N A 76 TRP CA 63 64 113382295.5 . 4752058.5 . 8.457786694 . 114.4053741 . 46.97045396 . A 78 PHE H A 78 PHE N A 77 GLY CA 197 206 93701160.25 . 3926612 . 6.80450072 . 112.3607134 . 58.54378413 . A 79 PHE H A 79 PHE N A 78 PHE CA 179 184 120925132 . 5033368.5 . 7.459587353 . 108.8999029 . 55.15012218 . A 80 GLY H A 80 GLY N A 79 PHE CA 163 166 196215953.5 . 8254601.5 . 7.676975414 . 119.6121254 . 46.31404251 . A 81 GLN H A 81 GLN N A 80 GLY CA 158 161 301108572 . 12588948 . 7.750261224 . 125.9097468 . 55.23701822 . A 82 ARG H A 82 ARG N A 81 GLN CA 199 208 227503689 . 9486424 . 6.41438826 . 122.6916906 . 55.34355615 . A 83 LEU H A 83 LEU N A 82 ARG CA 177 182 217440015 . 8998381 . 7.458336853 . 119.098903 . 52.76350646 . A 84 ASP H A 84 ASP N A 83 LEU CA 25 25 263188132 . 10741496 . 8.754886763 . 118.5016326 . 50.97316872 . A 85 LEU H A 85 LEU N A 84 ASP CA 170 174 133469968.8 . 5540408 . 7.535131988 . 117.5741533 . 66.09217126 . A 87 ALA H A 87 ALA N B 86 PRO CA 100 101 94166008.25 . 3905865.75 . 8.257878528 . 118.322265 . 55.30521026 . A 88 ILE H A 88 ILE N A 87 ALA CA 23 23 80689083.5 . 3360420.25 . 8.774439519 . 119.3249489 . 65.27051255 . A 89 ILE H A 89 ILE N A 88 ILE CA 17 17 155875990.5 . 6473136 . 8.837973065 . 107.4724139 . 64.29276085 . A 90 GLY H A 90 GLY N A 89 ILE CA 43 44 82578443.75 . 3500147.25 . 8.628270505 . 120.7855747 . 47.50847873 . A 91 MET H A 91 MET N A 90 GLY CA 51 52 74971518.25 . 3144835.25 . 8.571785999 . 120.2129622 . 59.49140781 . A 92 MET H A 92 MET N A 91 MET CA 102 104 69159103 . 2936433.5 . 8.245049972 . 120.4519761 . 59.11879958 . A 93 LEU H A 93 LEU N A 92 MET CA 135 138 49481191.38 . 2073300.875 . 7.954845308 . 118.5993254 . 58.26092786 . A 94 ILE H A 94 ILE N A 93 LEU CA 76 77 45332896 . 1897338 . 8.422178084 . 116.8874456 . 65.49374481 . A 95 CYS H A 95 CYS N A 94 ILE CA 20 20 52144975.25 . 2186119.5 . 8.799423301 . 120.1038383 . 64.37468171 . A 96 ALA H A 96 ALA N A 95 CYS CA 55 56 69922889 . 2931249.5 . 8.534454369 . 105.7110436 . 54.92605406 . A 97 GLY H A 97 GLY N A 96 ALA CA 89 90 76505879.5 . 3252091.75 . 8.338697738 . 120.7310443 . 48.41080491 . A 98 VAL H A 98 VAL N A 97 GLY CA 120 123 59718576.88 . 2450029.25 . 8.124472072 . 120.5739081 . 66.67107969 . A 99 LEU H A 99 LEU N A 98 VAL CA 66 67 72795371 . 2984720.5 . 8.44390742 . 119.3181041 . 58.48097894 . A 100 ILE H A 100 ILE N A 99 LEU CA 129 132 80518808.75 . 3327682.5 . 8.01700977 . 117.8045803 . 65.83701304 . A 101 ILE H A 101 ILE N A 100 ILE CA 183 189 60612993.75 . 2514111.25 . 7.433292266 . 114.2517218 . 65.55401294 . A 102 ASN H A 102 ASN N A 101 ILE CA 88 89 60835579.62 . 2524490.25 . 8.354030664 . 115.4434722 . 56.2943569 . A 103 LEU H A 103 LEU N A 102 ASN CA 165 168 84106644.75 . 3459724 . 7.648765314 . 114.8145378 . 55.96140524 . A 104 LEU H A 104 LEU N A 103 LEU CA 192 201 229472635 . 9540219 . 7.054230853 . 112.7685573 . 54.3334423 . A 105 SER H A 105 SER N A 104 LEU CA 5 5 298345607 . 12410239 . 9.258082657 . 127.291413 . 57.62538914 . A 106 ARG H A 106 ARG N A 105 SER CA 84 85 295229824 . 12274368 . 8.355901872 . 117.2016528 . 55.23072494 . A 107 SER H A 107 SER N A 106 ARG CA 151 154 1253018232 . 52470560 . 7.830925942 . 117.4155169 . 58.37197669 . A 108 THR H A 108 THR N A 107 SER CA 145 148 2166851752 . 91216440 . 7.829371352 . 123.7560523 . 63.0280771 . A 110 HIS H A 110 HIS N A 109 PRO CA 108 110 327649614 . 13629502 . 8.18724339 . 121.8444792 . 54.75745063 . B 2 ASN H B 2 ASN N B 1 MET CA 87 88 78616320.25 . 3340650.25 . 8.35109239 . 116.5022766 . 64.22644053 . B 4 TYR H B 4 TYR N B 3 PRO CA 154 157 60753409.75 . 2490382.75 . 7.783674236 . 121.1562871 . 61.67651958 . B 5 ILE H B 5 ILE N B 4 TYR CA 201 210 55720657.88 . 2333937 . 6.873398912 . 118.8395852 . 64.30011799 . B 6 TYR H B 6 TYR N B 5 ILE CA 130 133 72796086.75 . 3025619 . 7.989178992 . 120.1364994 . 61.42983543 . B 7 LEU H B 7 LEU N B 6 TYR CA 27 27 84702480.75 . 3498751.5 . 8.732449787 . 106.4904061 . 57.48534767 . B 8 GLY H B 8 GLY N B 7 LEU CA 30 30 100806395.2 . 4194998.5 . 8.717685414 . 109.4887781 . 47.13752221 . B 9 GLY H B 9 GLY N B 8 GLY CA 14 14 136690484 . 5618719 . 8.90029782 . 124.9306733 . 47.5029675 . B 10 ALA H B 10 ALA N B 9 GLY CA 45 46 86653943 . 3528933.25 . 8.592066343 . 123.0255458 . 55.27029865 . B 11 ILE H B 11 ILE N B 10 ALA CA 91 92 86226547.5 . 3565881.5 . 8.329699871 . 120.7577461 . 64.3357473 . B 12 LEU H B 12 LEU N B 11 ILE CA 60 61 109559682.8 . 4559137 . 8.489078334 . 119.4329281 . 58.13098528 . B 13 ALA H B 13 ALA N B 12 LEU CA 150 153 70595600.62 . 2958702.75 . 7.741393406 . 119.3692561 . 55.36962095 . B 14 GLU H B 14 GLU N B 13 ALA CA 82 83 104091436 . 4312625 . 8.385405394 . 121.6582031 . 58.54367328 . B 15 VAL H B 15 VAL N B 14 GLU CA 50 51 88387403.75 . 3661217 . 8.568082881 . 122.2236254 . 65.97418325 . B 16 ILE H B 16 ILE N B 15 VAL CA 206 215 96473868.75 . 4021657.75 . 8.495205841 . 108.0052457 . 65.0428826 . B 17 GLY H B 17 GLY N B 16 ILE CA 62 63 54334953.75 . 2244038.25 . 8.451405861 . 118.9090933 . 47.73275959 . B 18 THR H B 18 THR N B 17 GLY CA 149 152 50677582 . 2062494.875 . 7.785719698 . 119.5493079 . 66.36744748 . B 19 THR H B 19 THR N B 18 THR CA 99 100 31922755.69 . 1297973.5 . 8.273925389 . 120.7652305 . 67.52933217 . B 20 LEU H B 20 LEU N B 19 THR CA 109 111 107234619 . 4443913.5 . 8.153500823 . 121.362469 . 57.94404194 . B 21 MET H B 21 MET N B 20 LEU CA 159 162 134901514 . 5570493.5 . 7.737550073 . 122.4798574 . 59.08428123 . B 22 LYS H B 22 LYS N B 21 MET CA 166 169 163027066.5 . 6765802 . 7.62173187 . 117.9136104 . 58.6030453 . B 23 PHE H B 23 PHE N B 22 LYS CA 139 142 117034235 . 4889240.5 . 7.904490653 . 115.0947743 . 58.61016334 . B 24 SER H B 24 SER N B 23 PHE CA 118 120 232110291.5 . 9633347 . 8.132533737 . 122.3133133 . 60.0869872 . B 25 GLU H B 25 GLU N B 24 SER CA 8 8 125634132.8 . 5264708.5 . 9.153372118 . 113.0195091 . 55.83571321 . B 26 GLY H B 26 GLY N B 25 GLU CA 133 136 138271214.5 . 5778244 . 7.932874677 . 114.0982718 . 46.88943999 . B 27 PHE H B 27 PHE N B 26 GLY CA 200 209 25275489.38 . 1003788.875 . 7.542238808 . 102.3250566 . 59.00924688 . B 28 THR H B 28 THR N B 27 PHE CA 169 173 98457546.75 . 4091527.5 . 7.538837119 . 120.7910604 . 61.90548189 . B 29 ARG H B 29 ARG N B 28 THR CA 13 13 45953189.75 . 1953122 . 8.951653522 . 130.9931435 . 54.13369089 . B 30 LEU H B 30 LEU N B 29 ARG CA 6 6 248751936 . 10413264 . 9.219762311 . 118.7922209 . 59.66571567 . B 31 TRP H B 31 TRP N B 30 LEU CA 186 193 102425894.8 . 4260066.5 . 7.299431098 . 115.7975926 . 65.32701595 . B 33 SER H B 33 SER N B 32 PRO CA 74 75 106585720 . 4388316 . 8.423587643 . 121.9830678 . 63.53881324 . B 34 VAL H B 34 VAL N B 33 SER CA 18 18 110768489.8 . 4489619 . 8.832209989 . 105.4674575 . 66.48914665 . B 35 GLY H B 35 GLY N B 34 VAL CA 93 94 63137086.75 . 2680997.5 . 8.311080117 . 121.3634828 . 47.74206175 . B 36 THR H B 36 THR N B 35 GLY CA 172 176 33718573.62 . 1399584.625 . 7.526407647 . 119.6785886 . 68.70734201 . B 37 ILE H B 37 ILE N B 36 THR CA 70 71 95352659.75 . 3909448.5 . 8.408625173 . 119.3774355 . 64.99102817 . B 38 ILE H B 38 ILE N B 37 ILE CA 97 98 59311341.62 . 2530051 . 8.29624496 . 116.5380581 . 65.55299272 . B 39 CYS H B 39 CYS N B 38 ILE CA 46 47 83907097 . 3509877.25 . 8.574845952 . 118.9524382 . 65.11161568 . B 40 TYR H B 40 TYR N B 39 CYS CA 48 49 63018279.88 . 2609761.75 . 8.594737549 . 118.0519801 . 61.23593175 . B 41 CYS H B 41 CYS N B 40 TYR CA 96 97 92305791.5 . 3803728.5 . 8.287437894 . 119.9241033 . 65.00901372 . B 42 ALA H B 42 ALA N B 41 CYS CA 65 66 87296850.5 . 3628335.75 . 8.458773492 . 112.2943353 . 54.84385268 . B 43 SER H B 43 SER N B 42 ALA CA 98 99 74582490.75 . 3098648.75 . 8.286403834 . 116.2461477 . 62.95526453 . B 44 PHE H B 44 PHE N B 43 SER CA 78 79 78750742 . 3291001.25 . 8.411668144 . 121.2401404 . 60.85035636 . B 45 TRP H B 45 TRP N B 44 PHE CA 40 41 63316864.88 . 2623708 . 8.630315495 . 119.0428017 . 62.80259904 . B 46 LEU H B 46 LEU N B 45 TRP CA 39 40 65253658.38 . 2764699 . 8.642907792 . 121.2663528 . 58.16279874 . B 47 LEU H B 47 LEU N B 46 LEU CA 24 24 85519206 . 3545822 . 8.758515928 . 121.2503225 . 57.14251936 . B 48 ALA H B 48 ALA N B 47 LEU CA 185 192 93665130.75 . 3826563.75 . 7.327617984 . 114.8949252 . 54.68694836 . B 49 GLN H B 49 GLN N B 48 ALA CA 175 180 23342938.88 . 932894.375 . 7.46334987 . 107.3566122 . 55.86696932 . B 50 THR H B 50 THR N B 49 GLN CA 196 205 80458409.75 . 3374592 . 6.831307024 . 118.0020058 . 64.16782968 . B 51 LEU H B 51 LEU N B 50 THR CA 191 200 98869522.5 . 4090094 . 7.065891257 . 120.2870619 . 55.52603648 . B 52 ALA H B 52 ALA N B 51 LEU CA 171 175 51841584.25 . 2160727 . 7.542584713 . 113.268464 . 52.65624149 . B 53 TYR H B 53 TYR N B 52 ALA CA 148 151 128710756.2 . 5323747 . 7.798641735 . 119.370403 . 57.93194707 . B 54 ILE H B 54 ILE N B 53 TYR CA 10 10 38034444 . 1598913.875 . 9.104420342 . 124.1008442 . 63.12676329 . B 56 THR H B 56 THR N B 55 PRO CA 2 2 51288734.25 . 2139857.75 . 9.937190155 . 106.7571296 . 66.88560486 . B 57 GLY H B 57 GLY N B 56 THR CA 198 207 78012603.5 . 3236945.5 . 6.464076857 . 117.9851211 . 46.7627619 . B 58 ILE H B 58 ILE N B 57 GLY CA 92 93 83296032.75 . 3433681.5 . 8.32204647 . 121.9291259 . 63.50645771 . B 59 ALA H B 59 ALA N B 58 ILE CA 85 86 102150160.5 . 4306288.5 . 8.361442719 . 115.9761969 . 55.40024386 . B 60 TYR H B 60 TYR N B 59 ALA CA 126 129 103379765.5 . 4303174.5 . 8.040220255 . 118.4392271 . 62.3884426 . B 61 ALA H B 61 ALA N B 60 TYR CA 56 57 77301346 . 3216566.5 . 8.517353008 . 117.1804059 . 55.07765973 . B 62 ILE H B 62 ILE N B 61 ALA CA 75 76 88903953 . 3693840.75 . 8.428490509 . 121.9907003 . 65.93341509 . B 63 TRP H B 63 TRP N B 62 ILE CA 37 38 96393759.5 . 4021455.25 . 8.662100932 . 120.3382879 . 60.96923897 . B 64 VAL H B 64 VAL N B 63 TRP CA 44 45 70262947 . 2978876 . 8.602485492 . 108.240584 . 64.38769137 . B 65 GLY H B 65 GLY N B 64 VAL CA 11 11 84810735.5 . 3555640.25 . 9.024988414 . 120.2432136 . 47.04866015 . B 66 VAL H B 66 VAL N B 65 GLY CA 193 202 95133632.5 . 3935474 . 7.019005969 . 106.3981265 . 66.0495331 . B 67 GLY H B 67 GLY N B 66 VAL CA 142 145 115514807.5 . 4880932.5 . 7.89331478 . 120.9703157 . 47.20918898 . B 68 ILE H B 68 ILE N B 67 GLY CA 162 165 95021875 . 3985387.75 . 7.69887801 . 122.562077 . 64.41034153 . B 69 VAL H B 69 VAL N B 68 ILE CA 104 106 62308864.5 . 2642062.5 . 8.236192418 . 117.5293012 . 66.9506498 . B 70 LEU H B 70 LEU N B 69 VAL CA 36 36 128372656.8 . 4994579.5 . 8.689515919 . 119.5044224 . 57.7821854 . B 71 ILE H B 71 ILE N B 70 LEU CA 125 128 78308849 . 3257276 . 8.038071458 . 119.2329368 . 64.36266305 . B 72 SER H B 72 SER N B 71 ILE CA 110 112 54103998.12 . 2215663 . 8.125263273 . 121.1247524 . 62.89064488 . B 73 LEU H B 73 LEU N B 72 SER CA 34 34 195311925.5 . 7929329 . 8.679978094 . 120.0216016 . 57.80023595 . B 74 LEU H B 74 LEU N B 73 LEU CA 57 58 113669902.8 . 4700453.5 . 8.53352101 . 117.0935702 . 57.97320971 . B 75 SER H B 75 SER N B 74 LEU CA 152 155 34025335.38 . 1451427.75 . 7.815039959 . 124.578112 . 61.99420711 . B 76 TRP H B 76 TRP N B 75 SER CA 38 39 95704651 . 3986803 . 8.665944399 . 105.3428224 . 58.88903416 . B 77 GLY H B 77 GLY N B 76 TRP CA 113 115 84446352.75 . 3545683 . 8.200375337 . 113.3283041 . 46.72991143 . B 78 PHE H B 78 PHE N B 77 GLY CA 188 196 114492837.2 . 4752817.5 . 7.186322885 . 114.1736737 . 58.18071434 . B 79 PHE H B 79 PHE N B 78 PHE CA 137 140 188612875.5 . 7791336 . 7.928716335 . 108.9934935 . 56.53333393 . B 80 GLY H B 80 GLY N B 79 PHE CA 160 163 383910715 . 16228912 . 7.740313012 . 120.5045778 . 46.35881666 . B 81 GLN H B 81 GLN N B 80 GLY CA 101 103 572575468 . 24081560 . 8.245060917 . 124.0553535 . 54.9671311 . B 82 ARG H B 82 ARG N B 81 GLN CA 123 126 530882295 . 22274252 . 8.05929212 . 124.3926479 . 55.76751418 . B 83 LEU H B 83 LEU N B 82 ARG CA 176 181 375834429 . 15668281 . 7.463242457 . 120.5728738 . 53.71869501 . B 84 ASP H B 84 ASP N B 83 LEU CA 26 26 263188132 . 10741496 . 8.736884635 . 118.750731 . 50.97852099 . B 85 LEU H B 85 LEU N B 84 ASP CA 174 178 169507604 . 6956707.5 . 7.486758154 . 117.7358097 . 66.19500384 . B 87 ALA H B 87 ALA N A 86 PRO CA 136 139 106200691.8 . 4408825 . 7.946409933 . 118.0659838 . 55.34624049 . B 88 ILE H B 88 ILE N B 87 ALA CA 33 33 77304951.75 . 3250722.75 . 8.671726544 . 119.6609788 . 64.56389588 . B 89 ILE H B 89 ILE N B 88 ILE CA 209 218 89669246.5 . 3595519.25 . 8.829639474 . 107.4724139 . 64.32733273 . B 90 GLY H B 90 GLY N B 89 ILE CA 52 53 98510750.75 . 4165037.75 . 8.536856105 . 119.7958812 . 47.59130075 . B 91 MET H B 91 MET N B 90 GLY CA 68 69 87634725.75 . 3633042 . 8.423860486 . 119.635348 . 59.77041398 . B 92 MET H B 92 MET N B 91 MET CA 95 96 65233683 . 2693967.5 . 8.292326002 . 119.4888163 . 59.44477179 . B 93 LEU H B 93 LEU N B 92 MET CA 203 212 67592852.38 . 2412320.25 . 7.777026084 . 117.8693567 . 58.34116468 . B 94 ILE H B 94 ILE N A 93 LEU CA 121 124 55620792.5 . 2286866 . 8.119321112 . 116.2236131 . 65.4195691 . B 95 CYS H B 95 CYS N A 94 ILE CA 35 35 73451447.5 . 3093932 . 8.637270678 . 120.2266961 . 64.31244396 . B 96 ALA H B 96 ALA N B 95 CYS CA 73 74 59949051.88 . 2463714 . 8.437811395 . 105.713504 . 54.82498952 . B 97 GLY H B 97 GLY N B 96 ALA CA 114 116 73102834.25 . 3046170 . 8.192630704 . 120.2489943 . 48.59509195 . B 98 VAL H B 98 VAL N B 97 GLY CA 127 130 81503861 . 3413311.5 . 8.031515753 . 119.7086059 . 66.72751392 . B 99 LEU H B 99 LEU N B 98 VAL CA 67 68 80248267 . 3341101.75 . 8.398959545 . 119.0694208 . 58.14389793 . B 100 ILE H B 100 ILE N B 99 LEU CA 153 156 82291615.5 . 3393558.25 . 7.786202135 . 118.5377777 . 65.70944999 . B 101 ILE H B 101 ILE N B 100 ILE CA 122 125 61244553.38 . 2529291.75 . 8.108694782 . 115.2724116 . 65.65118646 . B 102 ASN H B 102 ASN N B 101 ILE CA 64 65 85551514 . 3569327.25 . 8.44637294 . 114.5234254 . 56.58874967 . B 103 LEU H B 103 LEU N B 102 ASN CA 157 160 85272358 . 3600417.25 . 7.770305454 . 114.1654704 . 56.15089379 . B 104 LEU H B 104 LEU N B 103 LEU CA 173 177 125390439.2 . 5199904 . 7.522723301 . 111.9586357 . 54.61136877 . B 105 SER H B 105 SER N B 104 LEU CA 1 1 99463376.25 . 4105027.5 . 10.04339355 . 129.1378691 . 57.9674053 . B 106 ARG H B 106 ARG N B 105 SER CA 71 72 88890932.75 . 3678622.5 . 8.438329717 . 117.7543175 . 54.67326238 . B 107 SER H B 107 SER N B 106 ARG CA 164 167 513311912 . 21284152 . 7.677136467 . 114.2893734 . 59.83239947 . B 108 THR H B 108 THR N B 107 SER CA 156 159 5431196208 . 231663792 . 7.764322027 . 123.5472154 . 63.14573368 . B 110 HIS H B 110 HIS N B 109 PRO CA ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . . ppm . . . . . . 51024 3 2 . . C 13 C . . . ppm . . . . . . 51024 3 3 . . N 15 N . . . ppm . . . . . . 51024 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 51024 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D HNCACO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 750.2940063 6.205714443 11.99819051 circular true true 2 ppm 15N 76.03500366 32.87959334 133.3157961 circular true false 3 ppm 13C 188.6940002 12.04451147 183.0712657 circular true false _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 73 88 282432076 . 11835056 . 8.364598934 . 122.5631285 . 174.9337058 . A 2 ASN H A 2 ASN N A 2 ASN C 114 132 54922928.88 . 2305565.5 . 8.020095844 . 116.3141821 . 178.3646392 . A 4 TYR H A 4 TYR N A 4 TYR C 142 165 65294192.12 . 2675507.75 . 7.765767829 . 120.5692813 . 178.2550995 . A 5 ILE H A 5 ILE N A 5 ILE C 183 208 52655696.75 . 2210492.5 . 7.121344191 . 119.1504196 . 178.1879765 . A 6 TYR H A 6 TYR N A 6 TYR C 124 142 57835986.25 . 2376256.25 . 7.868239247 . 120.0836181 . 178.9866524 . A 7 LEU H A 7 LEU N A 7 LEU C 29 43 65248743.38 . 2745055.5 . 8.681178529 . 106.6264383 . 175.7278983 . A 8 GLY H A 8 GLY N A 8 GLY C 17 30 68661569.25 . 2863269 . 8.781931023 . 109.7124884 . 174.4582558 . A 9 GLY H A 9 GLY N A 9 GLY C 177 202 89647080.25 . 3605059.75 . 8.91815096 . 124.900303 . 182.2378315 . A 10 ALA H A 10 ALA N A 10 ALA C 38 52 45241601.12 . 1864872.25 . 8.624218798 . 122.2886414 . 177.38869 . A 11 ILE H A 11 ILE N A 11 ILE C 66 81 82671093.5 . 3367142.5 . 8.406683867 . 121.1029625 . 178.4039751 . A 12 LEU H A 12 LEU N A 12 LEU C 46 61 97356075 . 4033369.25 . 8.538719672 . 119.79593 . 178.8934052 . A 13 ALA H A 13 ALA N A 13 ALA C 123 141 44889279.5 . 1814298.75 . 7.888948645 . 120.0836181 . 178.4419669 . A 14 GLU H A 14 GLU N A 14 GLU C 52 67 95175381.25 . 3872740.5 . 8.492373869 . 121.6743615 . 178.6072798 . A 15 VAL H A 15 VAL N A 15 VAL C 25 39 84627779.25 . 3512229.75 . 8.713554967 . 122.3271744 . 177.9353557 . A 16 ILE H A 16 ILE N A 16 ILE C 51 66 83607165.25 . 3495504.25 . 8.511949816 . 108.2156054 . 174.1579817 . A 17 GLY H A 17 GLY N A 17 GLY C 53 68 42632253.25 . 1691187.75 . 8.516650039 . 121.6992065 . 178.4750104 . A 20 LEU H A 20 LEU N A 20 LEU C 111 129 97100968.25 . 4047934.5 . 8.036492742 . 121.5304508 . 181.5915487 . A 21 MET H A 21 MET N A 21 MET C 147 172 91203561.75 . 3771381.25 . 7.553745324 . 124.8772849 . 178.2201238 . A 22 LYS H A 22 LYS N A 22 LYS C 157 182 80627124.25 . 3331694 . 7.466791994 . 119.0527768 . 176.0641101 . A 23 PHE H A 23 PHE N A 23 PHE C 134 156 143411781 . 5977300.5 . 7.706842305 . 121.3004957 . 177.9465133 . A 25 GLU H A 25 GLU N A 25 GLU C 4 15 67512737.5 . 2823294.25 . 9.410033091 . 112.1331292 . 174.9122402 . A 26 GLY H A 26 GLY N A 26 GLY C 117 135 82615243 . 3374385.5 . 7.91549627 . 113.9156895 . 173.8563684 . A 27 PHE H A 27 PHE N A 27 PHE C 149 174 27337071.38 . 1138151.875 . 7.566793749 . 102.4110072 . 175.1966164 . A 28 THR H A 28 THR N A 28 THR C 163 188 59201242.38 . 2450427.5 . 7.35806094 . 119.9157018 . 178.1770759 . A 29 ARG H A 29 ARG N A 29 ARG C 5 16 239204287 . 10119352 . 9.341475888 . 119.3523045 . 177.394854 . A 31 TRP H A 31 TRP N A 31 TRP C 71 86 89064954.5 . 3660907.25 . 8.382403545 . 122.1238166 . 178.4882804 . A 34 VAL H A 34 VAL N A 34 VAL C 13 26 71208069.25 . 2816319 . 8.832036488 . 105.0773435 . 174.5916577 . A 35 GLY H A 35 GLY N A 35 GLY C 181 206 76992121.25 . 3264219.5 . 7.462055568 . 119.3640346 . 178.2269128 . A 37 ILE H A 37 ILE N A 37 ILE C 84 99 58129300.12 . 2395934.75 . 8.298791577 . 118.6928303 . 177.6628931 . A 38 ILE H A 38 ILE N A 38 ILE C 94 111 90184179.25 . 3735949.25 . 8.225208486 . 116.251848 . 177.5985508 . A 39 CYS H A 39 CYS N A 39 CYS C 56 71 96552950.75 . 3956975 . 8.44276963 . 119.1122132 . 178.3344216 . A 40 TYR H A 40 TYR N A 40 TYR C 60 75 91914546.75 . 3746862.25 . 8.402032593 . 117.1858752 . 176.5020224 . A 41 CYS H A 41 CYS N A 41 CYS C 74 89 82297899 . 3487949.25 . 8.360096738 . 119.4154751 . 178.5690841 . A 42 ALA H A 42 ALA N A 42 ALA C 48 63 25484967.31 . 1054221.75 . 8.537612186 . 112.6130839 . 178.6407614 . A 43 SER H A 43 SER N A 42 ALA C 103 121 93151330.75 . 3803488.75 . 8.169521832 . 116.4473847 . 177.5348935 . A 44 PHE H A 44 PHE N A 44 PHE C 81 96 85225273.5 . 3540524 . 8.356546927 . 120.9003575 . 178.3796634 . A 45 TRP H A 45 TRP N A 45 TRP C 15 28 40734506.25 . 1714179.375 . 8.800781821 . 118.7668865 . 179.4248796 . A 46 LEU H A 46 LEU N A 46 LEU C 189 218 55938996.25 . 2216183 . 8.412277879 . 121.1687544 . 179.037271 . A 47 LEU H A 47 LEU N A 47 LEU C 95 112 61032978.12 . 2456816.75 . 8.188517678 . 121.4443648 . 180.001998 . A 48 ALA H A 48 ALA N A 48 ALA C 162 187 73944402 . 3109480.75 . 7.362949649 . 114.5977419 . 178.2563624 . A 49 GLN H A 49 GLN N A 49 GLN C 165 190 69021790 . 2876337.25 . 7.19143074 . 120.0040225 . 177.1848614 . A 51 LEU H A 51 LEU N A 51 LEU C 167 192 107427415.2 . 4418284 . 7.110753907 . 118.9540535 . 177.4893762 . A 52 ALA H A 52 ALA N A 52 ALA C 180 205 40487773.5 . 1710094 . 7.725601806 . 113.9113319 . 174.9277141 . A 53 TYR H A 53 TYR N A 53 TYR C 130 148 84434711.25 . 3514893 . 7.819998861 . 119.2759234 . 172.6990991 . A 54 ILE H A 54 ILE N A 54 ILE C 98 115 97795248.25 . 4127502.5 . 8.193300997 . 118.3791724 . 177.7574177 . A 56 THR H A 56 THR N A 55 PRO C 18 31 105051081.8 . 4388136 . 8.770498042 . 107.2842208 . 176.1232312 . A 57 GLY H A 57 GLY N A 57 GLY C 171 196 84873035 . 3556755.25 . 6.877746536 . 119.5475426 . 176.9010218 . A 58 ILE H A 58 ILE N A 58 ILE C 122 140 79997374.5 . 3312242.25 . 7.913294789 . 121.4465418 . 179.4511359 . A 59 ALA H A 59 ALA N A 59 ALA C 28 42 84706101.5 . 3498718.75 . 8.696201416 . 115.2108845 . 177.8337822 . A 60 TYR H A 60 TYR N A 60 TYR C 106 124 88705912 . 3703477 . 8.120612468 . 119.7721266 . 179.9952376 . A 61 ALA H A 61 ALA N A 61 ALA C 105 123 67619330.75 . 2745430.25 . 8.151092445 . 116.0593288 . 177.1625268 . A 62 ILE H A 62 ILE N A 62 ILE C 26 40 68635995.75 . 2867513.25 . 8.712103211 . 121.4135828 . 181.0076971 . A 63 TRP H A 63 TRP N A 63 TRP C 8 19 79913472.25 . 3281414 . 9.170466302 . 119.6021627 . 177.4256788 . A 64 VAL H A 64 VAL N A 64 VAL C 61 76 73206202.25 . 3089969 . 8.434891302 . 109.5630169 . 174.8062511 . A 65 GLY H A 65 GLY N A 65 GLY C 43 58 54041953.38 . 2147223.5 . 8.568770272 . 118.2089002 . 178.2377706 . A 66 VAL H A 66 VAL N A 66 VAL C 170 195 57652152.5 . 2361772.75 . 6.978920243 . 106.046832 . 174.3297816 . A 67 GLY H A 67 GLY N A 67 GLY C 20 34 70311958.5 . 2983191.25 . 8.742039647 . 121.0070437 . 178.9864599 . A 68 ILE H A 68 ILE N A 68 ILE C 160 185 94702631.75 . 3921630.75 . 7.438398423 . 119.629804 . 177.6346584 . A 69 VAL H A 69 VAL N A 69 VAL C 178 203 38755136.12 . 1555580.875 . 8.552293629 . 118.0137124 . 179.3367528 . A 70 LEU H A 70 LEU N A 70 LEU C 10 22 106954247.5 . 4414489.5 . 9.020141557 . 119.8709829 . 179.5010098 . A 71 ILE H A 71 ILE N A 71 ILE C 77 92 44312852.88 . 1853137.125 . 8.336507604 . 123.9459625 . 178.3474491 . A 73 LEU H A 73 LEU N A 73 LEU C 190 219 64049338.12 . 2612159.25 . 8.641778622 . 119.155835 . 179.0479846 . A 74 LEU H A 74 LEU N A 74 LEU C 136 158 86534432 . 3553509.25 . 7.755406831 . 125.1587372 . 177.7436478 . A 76 TRP H A 76 TRP N A 76 TRP C 104 122 99433244 . 4155059 . 8.160862177 . 103.9822344 . 173.6774067 . A 77 GLY H A 77 GLY N A 77 GLY C 57 72 119516425.8 . 4976442 . 8.447724322 . 114.4188095 . 176.6217553 . A 78 PHE H A 78 PHE N A 78 PHE C 173 198 83679968.75 . 3476044 . 6.794540453 . 112.3250911 . 176.5758597 . A 79 PHE H A 79 PHE N A 79 PHE C 159 184 103526381.8 . 4341027 . 7.452700007 . 108.9393033 . 175.0823399 . A 80 GLY H A 80 GLY N A 80 GLY C 143 166 158252312.5 . 6618017.5 . 7.665855118 . 119.6207622 . 174.1941169 . A 81 GLN H A 81 GLN N A 81 GLN C 137 160 324555999 . 13674463 . 7.741542315 . 125.9698504 . 175.2453786 . A 82 ARG H A 82 ARG N A 82 ARG C 175 200 88903230.25 . 3682439.5 . 6.407955174 . 122.6716394 . 174.8195663 . A 83 LEU H A 83 LEU N A 83 LEU C 158 183 95012429 . 3954709 . 7.449331258 . 119.1215077 . 175.4318396 . A 84 ASP H A 84 ASP N A 84 ASP C 22 36 174237757.5 . 7059387.5 . 8.745643638 . 118.5541541 . 176.0411864 . A 85 LEU H A 85 LEU N A 85 LEU C 151 176 112639416.8 . 4648264.5 . 7.528626494 . 117.5423316 . 179.1347821 . A 87 ALA H A 87 ALA N A 87 ALA C 90 105 70183261 . 2901733.25 . 8.249927991 . 118.3357423 . 178.2052576 . A 88 ILE H A 88 ILE N A 88 ILE C 19 32 89432836.5 . 3749790.5 . 8.765574885 . 119.2636465 . 178.3332427 . A 89 ILE H A 89 ILE N A 89 ILE C 14 27 119445147 . 4934017 . 8.825417332 . 107.5393569 . 175.6241102 . A 90 GLY H A 90 GLY N A 90 GLY C 39 53 69957672.5 . 2845974.75 . 8.62008969 . 120.6098989 . 178.6330142 . A 91 MET H A 91 MET N A 91 MET C 45 60 64995679.25 . 2667432.5 . 8.563132144 . 120.2400886 . 178.1990361 . A 92 MET H A 92 MET N A 92 MET C 92 107 47973880.88 . 1964776.625 . 8.240051553 . 120.5285968 . 178.8264893 . A 93 LEU H A 93 LEU N A 93 LEU C 119 137 31543237.06 . 1342153 . 7.952316592 . 118.4853901 . 177.7868563 . A 94 ILE H A 94 ILE N A 94 ILE C 65 80 64375701.75 . 2577179.75 . 8.416682629 . 116.8847364 . 176.5526242 . A 95 CYS H A 95 CYS N A 95 CYS C 16 29 54568396.88 . 2292435.5 . 8.794985514 . 120.1409901 . 179.010158 . A 96 ALA H A 96 ALA N A 96 ALA C 49 64 63782593.38 . 2667403.75 . 8.529674863 . 105.7509792 . 175.1258635 . A 97 GLY H A 97 GLY N A 97 GLY C 179 204 75210201.25 . 2978170.25 . 8.332800357 . 120.7528241 . 178.5590384 . A 98 VAL H A 98 VAL N A 98 VAL C 107 125 34388405.5 . 1439667.125 . 8.110655774 . 120.588442 . 178.2029915 . A 99 LEU H A 99 LEU N A 99 LEU C 59 74 79634773.5 . 3185160.5 . 8.437308564 . 119.180637 . 177.6890484 . A 100 ILE H A 100 ILE N A 100 ILE C 58 74 79634773.5 . 3185160.5 . 8.437308564 . 119.180637 . 177.6890484 . A 100 ILE H A 100 ILE N A 39 CYS C 115 133 56228020.62 . 2343797.75 . 8.004824322 . 117.8190851 . 176.7329502 . A 101 ILE H A 101 ILE N A 101 ILE C 161 186 48009549.62 . 2019722.625 . 7.426331108 . 114.2998772 . 175.9371614 . A 102 ASN H A 102 ASN N A 102 ASN C 79 94 28553042 . 1207885.5 . 8.340386747 . 115.3813114 . 177.5261604 . A 103 LEU H A 103 LEU N A 103 LEU C 145 170 30646658.19 . 1314112.75 . 7.637041363 . 114.7958798 . 176.6242065 . A 104 LEU H A 104 LEU N A 104 LEU C 6 17 262828290 . 11164453 . 9.248238311 . 127.2774952 . 176.4241863 . A 106 ARG H A 106 ARG N A 106 ARG C 75 90 81970875.75 . 3463178 . 8.35012929 . 117.2128446 . 176.4548352 . A 107 SER H A 107 SER N A 107 SER C@7909 131 153 308510368 . 13270800 . 7.822130742 . 117.4072828 . 172.8308708 . A 108 THR H A 108 THR N A 108 THR C 126 144 1491598808 . 64119052 . 7.817401212 . 123.7538028 . 178.7900258 . A 110 HIS H A 110 HIS N A 110 HIS C 99 116 141011064 . 5943245 . 8.17762991 . 121.8087233 . 174.53581 . B 2 ASN H B 2 ASN N B 2 ASN C 78 93 63736234.5 . 2618230.25 . 8.340275806 . 116.5009582 . 178.4041636 . B 4 TYR H B 4 TYR N B 4 TYR C 135 157 60311898.75 . 2476863.5 . 7.774280108 . 121.2208401 . 178.0862377 . B 5 ILE H B 5 ILE N B 5 ILE C 182 207 69032254.5 . 2879653.75 . 6.86349518 . 118.8296822 . 178.1603811 . B 6 TYR H B 6 TYR N B 6 TYR C 188 217 23746422.75 . 958866.75 . 7.991676679 . 120.0502532 . 178.6523041 . B 7 LEU H B 7 LEU N B 7 LEU C 24 38 57577424.12 . 2375137 . 8.721299328 . 106.4719517 . 175.6119342 . B 8 GLY H B 8 GLY N B 8 GLY C 27 41 75257692.25 . 3135252 . 8.708500254 . 109.4832535 . 174.3527815 . B 9 GLY H B 9 GLY N B 9 GLY C 11 24 121839666.8 . 5016260 . 8.895062492 . 124.9366509 . 182.2741442 . B 10 ALA H B 10 ALA N B 10 ALA C 41 55 47622738.38 . 1974287.5 . 8.58595207 . 123.005515 . 177.1194541 . B 11 ILE H B 11 ILE N B 11 ILE C 80 95 110459903.2 . 4525625 . 8.32670637 . 120.7575984 . 178.3914882 . B 12 LEU H B 12 LEU N B 12 LEU C 55 70 91626442.5 . 3744432 . 8.480310593 . 119.4061592 . 178.6980503 . B 13 ALA H B 13 ALA N B 13 ALA C 140 163 59151367 . 2477699.25 . 7.7353603 . 119.3847023 . 177.8167114 . B 14 GLU H B 14 GLU N B 14 GLU C 72 87 90293143.25 . 3710232.25 . 8.380946942 . 121.5931588 . 179.0685481 . B 15 VAL H B 15 VAL N B 15 VAL C 44 59 72414006.75 . 3051404.5 . 8.560199509 . 122.2555105 . 177.9090543 . B 16 ILE H B 16 ILE N B 16 ILE C 54 69 76923288.25 . 3186805 . 8.482990779 . 108.0385035 . 174.5758583 . B 17 GLY H B 17 GLY N B 17 GLY C 89 104 69450073.5 . 2915248.5 . 8.266325198 . 120.6955293 . 178.9835551 . B 20 LEU H B 20 LEU N B 20 LEU C 97 114 108103927.5 . 4504498.5 . 8.142929424 . 121.3466914 . 181.2638214 . B 21 MET H B 21 MET N B 21 MET C 138 161 120051282.8 . 4976063.5 . 7.728819211 . 122.4967746 . 178.3249912 . B 22 LYS H B 22 LYS N B 22 LYS C 146 171 137108030.5 . 5744992.5 . 7.611956429 . 117.9248144 . 175.6733417 . B 23 PHE H B 23 PHE N B 23 PHE C 102 120 145659338.5 . 6042347.5 . 8.122879254 . 122.2999883 . 178.059609 . B 25 GLU H B 25 GLU N B 25 GLU C 9 20 108568040.5 . 4539466.5 . 9.145357429 . 113.0167105 . 174.6255287 . B 26 GLY H B 26 GLY N B 26 GLY C 118 136 130571203 . 5400654.5 . 7.92517637 . 114.0934916 . 174.1917907 . B 27 PHE H B 27 PHE N B 27 PHE C 148 173 24507149.88 . 1058363.375 . 7.519518728 . 102.237586 . 175.3922372 . B 28 THR H B 28 THR N B 28 THR C 150 175 86226263.25 . 3561438.75 . 7.531687194 . 120.7731295 . 177.8739412 . B 29 ARG H B 29 ARG N B 29 ARG C 187 214 25602615.5 . 1045152.938 . 8.936337669 . 130.9550521 . 177.4091878 . B 30 LEU H B 30 LEU N B 30 LEU C 7 18 215499099.5 . 8967934 . 9.210230989 . 118.7809512 . 177.2304765 . B 31 TRP H B 31 TRP N B 31 TRP C 63 78 104806343.2 . 4257711 . 8.414873847 . 121.9111127 . 178.548793 . B 34 VAL H B 34 VAL N B 34 VAL C 12 25 100864463 . 4109235.25 . 8.823394245 . 105.472821 . 174.7390079 . B 35 GLY H B 35 GLY N B 35 GLY C 83 98 26742968.06 . 1096180.5 . 8.2996061 . 121.2704403 . 174.7797097 . B 36 THR H B 36 THR N B 36 THR C@7908 153 178 85252349.5 . 3546588.75 . 7.51601269 . 119.7030849 . 178.3113773 . B 37 ILE H B 37 ILE N B 37 ILE C 68 83 145299775.5 . 5968701.5 . 8.393045981 . 119.3958108 . 177.7599185 . B 38 ILE H B 38 ILE N B 38 ILE C 86 101 122555734.5 . 5046368.5 . 8.289534662 . 116.5894323 . 177.6667632 . B 39 CYS H B 39 CYS N B 39 CYS C 42 57 59361392.5 . 2386288 . 8.56883256 . 118.9967668 . 178.2925112 . B 40 TYR H B 40 TYR N B 40 TYR C 176 201 47655788.12 . 1992617 . 8.588263556 . 117.9578101 . 176.592124 . B 41 CYS H B 41 CYS N B 41 CYS C 87 102 93977747.75 . 3915927.75 . 8.280450966 . 119.8286111 . 178.4852528 . B 42 ALA H B 42 ALA N B 42 ALA C 88 103 75740059.12 . 2909847 . 8.282994312 . 116.2736294 . 177.7136554 . B 44 PHE H B 44 PHE N B 44 PHE C 67 82 77310383 . 3050699.25 . 8.402968967 . 121.1687544 . 178.8224499 . B 45 TRP H B 45 TRP N B 45 TRP C 37 51 105413043.2 . 4316318 . 8.626174923 . 119.171965 . 179.0392001 . B 46 LEU H B 46 LEU N B 46 LEU C 35 49 47153065.12 . 1955033.5 . 8.631280473 . 121.123784 . 180.0924931 . B 47 LEU H B 47 LEU N B 47 LEU C 21 35 80977052.25 . 3372456.5 . 8.748723956 . 121.2559544 . 180.5593165 . B 48 ALA H B 48 ALA N B 48 ALA C 164 189 77225688.5 . 3184324.5 . 7.31469265 . 114.9402869 . 177.5673154 . B 49 GLN H B 49 GLN N B 49 GLN C 155 180 21842330.5 . 894034.875 . 7.472663361 . 107.4318826 . 178.4080189 . B 50 THR H B 50 THR N B 50 THR C@7906 172 197 55723979.5 . 2312842.75 . 6.818782946 . 117.9934082 . 176.9541047 . B 51 LEU H B 51 LEU N B 51 LEU C 168 193 97215080.75 . 4031097.25 . 7.056524396 . 120.2614728 . 177.0987 . B 52 ALA H B 52 ALA N B 52 ALA C 152 177 47739279.88 . 2043818.375 . 7.539099862 . 113.2482022 . 174.3987656 . B 53 TYR H B 53 TYR N B 53 TYR C 129 147 98017925 . 4116179.5 . 7.790357773 . 119.3518182 . 173.4327646 . B 54 ILE H B 54 ILE N B 54 ILE C 3 14 30703195.81 . 1309005.875 . 9.924721914 . 106.740646 . 175.2896535 . B 57 GLY H B 57 GLY N B 57 GLY C 174 199 70893298.75 . 2947014 . 6.452753934 . 117.990317 . 176.7707252 . B 58 ILE H B 58 ILE N B 58 ILE C 82 97 70207045.25 . 2922811.75 . 8.315064886 . 121.940955 . 178.7839493 . B 59 ALA H B 59 ALA N B 59 ALA C 76 91 80033639 . 3380980.25 . 8.352474142 . 115.9496363 . 176.8648836 . B 60 TYR H B 60 TYR N B 60 TYR C 112 130 99943476 . 4166222.5 . 8.033107097 . 118.4868819 . 179.9570109 . B 61 ALA H B 61 ALA N B 61 ALA C 50 65 68969606.75 . 2825116 . 8.507492884 . 117.1365981 . 176.8891887 . B 62 ILE H B 62 ILE N B 62 ILE C 64 79 57448120.12 . 2401766.5 . 8.419185678 . 121.9887413 . 180.2039918 . B 63 TRP H B 63 TRP N B 63 TRP C 34 48 77343757.75 . 3318258 . 8.653842347 . 120.3327635 . 177.9849852 . B 64 VAL H B 64 VAL N B 64 VAL C 40 54 62207323.75 . 2612562.5 . 8.596002734 . 108.2599398 . 175.2002621 . B 65 GLY H B 65 GLY N B 65 GLY C 1 12 65227767.12 . 2742116 . 9.015166126 . 120.2467776 . 177.9140232 . B 66 VAL H B 66 VAL N B 66 VAL C 169 194 61896685 . 2556286.5 . 7.013272118 . 106.4880589 . 174.5595808 . B 67 GLY H B 67 GLY N B 67 GLY C 125 143 90518422.5 . 3817082.5 . 7.884977405 . 120.9768536 . 178.9168967 . B 68 ILE H B 68 ILE N B 68 ILE C 139 162 86622165.75 . 3614496.5 . 7.68768818 . 122.550373 . 177.0082741 . B 69 VAL H B 69 VAL N B 69 VAL C 93 110 35023486.88 . 1488104.75 . 8.22229343 . 117.6728491 . 179.0309881 . B 70 LEU H B 70 LEU N B 70 LEU C 30 44 112343165.2 . 4615288.5 . 8.67984587 . 119.5262348 . 178.8444424 . B 71 ILE H B 71 ILE N B 71 ILE C 96 113 70331464.75 . 2951151 . 8.118908624 . 121.2031486 . 179.3028641 . B 73 LEU H B 73 LEU N B 73 LEU C 31 45 89792534.25 . 3720302.5 . 8.671838494 . 120.1479405 . 179.3437583 . B 74 LEU H B 74 LEU N B 74 LEU C 132 154 119633855.8 . 4992248 . 7.803324046 . 124.5492082 . 177.8895944 . B 76 TRP H B 76 TRP N B 76 TRP C 33 47 89177912 . 3730118.75 . 8.658567061 . 105.3749398 . 173.5553451 . B 77 GLY H B 77 GLY N B 77 GLY C 100 118 59143020.5 . 2448695.5 . 8.191746378 . 113.3297225 . 176.127705 . B 78 PHE H B 78 PHE N B 78 PHE C 166 191 61502659.62 . 2598639.5 . 7.178825931 . 114.17874 . 176.9346897 . B 79 PHE H B 79 PHE N B 79 PHE C 121 139 149298292.5 . 6270005.5 . 7.919937728 . 108.9903966 . 174.6620518 . B 80 GLY H B 80 GLY N B 80 GLY C 141 164 308046472 . 12926267 . 7.731105641 . 120.5027853 . 175.0055969 . B 81 GLN H B 81 GLN N B 81 GLN C 91 106 578972638 . 24614028 . 8.235663074 . 124.0525283 . 176.5380953 . B 82 ARG H B 82 ARG N B 82 ARG C 110 128 253969931.5 . 10735920 . 8.049739651 . 124.3963116 . 174.5768586 . B 83 LEU H B 83 LEU N B 83 LEU C 156 181 150898570.5 . 6325841 . 7.453471868 . 120.573186 . 175.3454224 . B 84 ASP H B 84 ASP N B 84 ASP C 186 212 170349632 . 6968676.5 . 8.725132553 . 118.6499151 . 175.9496764 . B 85 LEU H B 85 LEU N B 85 LEU C 23 37 92877327.25 . 3759279.25 . 8.728836116 . 118.7762099 . 175.3903201 . B 85 LEU H B 85 LEU N B 84 ASP C 154 179 154782166 . 6446722 . 7.476733438 . 117.8336171 . 179.3676897 . B 87 ALA H B 87 ALA N B 87 ALA C 120 138 91611447 . 3799896.5 . 7.935902996 . 118.0164321 . 178.3174296 . B 88 ILE H B 88 ILE N B 88 ILE C 32 46 97003042.5 . 3986702.25 . 8.662429673 . 119.5569054 . 178.4098901 . B 89 ILE H B 89 ILE N B 89 ILE C 191 220 104321364.8 . 4272982 . 8.818154495 . 107.4865448 . 175.5440372 . B 90 GLY H B 90 GLY N B 90 GLY C 47 62 100628407 . 4116998.5 . 8.531804598 . 119.7788885 . 178.4927152 . B 91 MET H B 91 MET N B 91 MET C 69 84 96703078.75 . 3837374 . 8.416316503 . 119.5998916 . 177.9190952 . B 92 MET H B 92 MET N B 92 MET C 85 100 54670716 . 2166990.75 . 8.282270949 . 119.3907635 . 178.5280619 . B 93 LEU H B 93 LEU N B 93 LEU C 108 126 50236499 . 2154944.75 . 8.109570889 . 116.2344462 . 176.2301129 . B 95 CYS H B 95 CYS N B 95 CYS C 36 50 49411313.88 . 1939161.375 . 8.630332728 . 120.2589783 . 178.7537878 . B 96 ALA H B 96 ALA N B 96 ALA C 62 77 68879195.5 . 2874818 . 8.428302529 . 105.7837548 . 174.9728898 . B 97 GLY H B 97 GLY N B 97 GLY C 101 119 42392704.5 . 1780963.125 . 8.186753607 . 120.265153 . 177.6315787 . B 98 VAL H B 98 VAL N B 98 VAL C 113 131 34744242.88 . 1516052.125 . 8.024187228 . 119.7385129 . 178.1888075 . B 99 LEU H B 99 LEU N B 99 LEU C 70 85 109174380.2 . 4298163 . 8.39310638 . 119.0396534 . 177.7408173 . B 100 ILE H B 100 ILE N B 100 ILE C 133 155 66263758.5 . 2735256.25 . 7.779229384 . 118.5306921 . 177.5608735 . B 101 ILE H B 101 ILE N B 101 ILE C 109 127 58154266.25 . 2461006.25 . 8.095467342 . 115.2281605 . 176.4902417 . B 102 ASN H B 102 ASN N B 102 ASN C 185 211 27476692.81 . 1168119.375 . 8.436355644 . 114.5938054 . 178.305809 . B 103 LEU H B 103 LEU N B 103 LEU C 184 209 22807302.81 . 963340 . 7.750765988 . 114.0871667 . 177.1126481 . B 104 LEU H B 104 LEU N B 104 LEU C 2 13 79774280.25 . 3333966.25 . 10.03400192 . 129.1392478 . 177.1167679 . B 106 ARG H B 106 ARG N B 106 ARG C 144 167 191588261.5 . 8159094 . 7.668389284 . 114.2845878 . 172.611096 . B 108 THR H B 108 THR N B 108 THR C 127 145 2799767864 . 122115152 . 7.753110111 . 123.5589987 . 178.7916155 . B 110 HIS H B 110 HIS N B 110 HIS C ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . . ppm . . . . . . 51024 4 2 . . C 13 C . . . ppm . . . . . . 51024 4 3 . . N 15 N . . . ppm . . . . . . 51024 4 stop_ save_ save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 51024 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 15N 76.03500366 31.99960506 132.8757982 circular true false 2 ppm 1H 750.2940063 9.005478891 13.58547906 circular true true _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 72 78 55788823 . 9880886 . 122.6005626 . 8.369831476 . A 2 ASN N A 2 ASN H 115 121 15916903 . 2649053.75 . 116.333494 . 8.029843384 . A 4 TYR N A 4 TYR H 207 226 31659521.5 . 5164569 . 120.5021174 . 7.770898954 . A 5 ILE N A 5 ILE H 203 222 23668570.75 . 2816757 . 119.1051028 . 7.124582051 . A 6 TYR N A 6 TYR H 128 134 36262856.5 . 5568931 . 120.0059794 . 7.872233341 . A 7 LEU N A 7 LEU H 33 39 25993855.38 . 3798737 . 106.6789478 . 8.687331836 . A 8 GLY N A 8 GLY H 20 26 23728254 . 3831208.5 . 109.6991199 . 8.787599382 . A 9 GLY N A 9 GLY H 190 206 33402045.75 . 5336558 . 125.002666 . 8.917598221 . A 10 ALA N A 10 ALA H 41 47 26171042.38 . 4334113 . 122.2685268 . 8.624926875 . A 11 ILE N A 11 ILE H 195 211 57474570.5 . 8160381 . 121.1460834 . 8.412780034 . A 12 LEU N A 12 LEU H 49 55 50191259.5 . 8675670 . 119.7653298 . 8.545876105 . A 13 ALA N A 13 ALA H 126 132 33393338.75 . 5191489 . 120.0836181 . 7.894196917 . A 14 GLU N A 14 GLU H 192 208 40271089.25 . 5962636.5 . 121.6815708 . 8.499730273 . A 15 VAL N A 15 VAL H 28 34 28724920.88 . 4568560 . 122.3217731 . 8.720848434 . A 16 ILE N A 16 ILE H 53 59 31801112.25 . 4862120.5 . 108.2078527 . 8.516363466 . A 17 GLY N A 17 GLY H 213 232 14711503 . 2423295.5 . 116.7069154 . 7.551723723 . A 18 THR N A 18 THR H 161 168 22245697.75 . 3094767.5 . 117.3664863 . 7.490352752 . A 19 THR N A 19 THR H 54 60 42772710.5 . 6254895 . 121.6992065 . 8.521334002 . A 20 LEU N A 20 LEU H 111 117 27621717.12 . 4535329 . 121.534967 . 8.040347744 . A 21 MET N A 21 MET H 153 159 29965803.62 . 5768526.5 . 124.8795562 . 7.560664814 . A 22 LYS N A 22 LYS H 208 227 57258044.5 . 9016889 . 119.0938982 . 7.470641191 . A 23 PHE N A 23 PHE H 119 125 28421993.75 . 4882505 . 113.7472583 . 7.963976254 . A 24 SER N A 24 SER H 147 153 35812382.38 . 6418235.5 . 121.2970401 . 7.712767591 . A 25 GLU N A 25 GLU H 3 9 28151918.62 . 5131193 . 112.1416513 . 9.415565927 . A 26 GLY N A 26 GLY H 198 214 36858316.75 . 4557102 . 113.9161204 . 7.92382001 . A 27 PHE N A 27 PHE H 155 162 19069595.25 . 2910885.5 . 102.3723984 . 7.555300989 . A 28 THR N A 28 THR H 171 179 19534841 . 3208799.5 . 119.8766599 . 7.359108807 . A 29 ARG N A 29 ARG H 9 15 23061338.06 . 4081263.75 . 131.4105781 . 9.091703761 . A 30 LEU N A 30 LEU H 4 10 44894974.25 . 8481926 . 119.3652251 . 9.34496022 . A 31 TRP N A 31 TRP H 168 176 23900313.38 . 3901722 . 116.294992 . 7.4420996 . A 33 SER N A 33 SER H 70 76 37704567.75 . 5063143 . 122.1238166 . 8.387391251 . A 34 VAL N A 34 VAL H 15 21 28335783.75 . 4997069.5 . 105.0037489 . 8.835773256 . A 35 GLY N A 35 GLY H 94 100 25418482 . 3366966 . 121.2726829 . 8.214378695 . A 36 THR N A 36 THR H 201 218 40285812.5 . 5765854 . 119.5167728 . 7.464795998 . A 37 ILE N A 37 ILE H 82 88 25726790.5 . 4674277 . 118.6271885 . 8.301323647 . A 38 ILE N A 38 ILE H 93 99 24750068 . 3696625 . 116.2126083 . 8.23020771 . A 39 CYS N A 39 CYS H 57 63 46277879.75 . 6926005 . 119.0048141 . 8.447667377 . A 40 TYR N A 40 TYR H 67 73 26793602.75 . 3913746.5 . 117.37829 . 8.405993009 . A 41 CYS N A 41 CYS H 73 79 32735175.75 . 5179022 . 119.4032089 . 8.365927303 . A 42 ALA N A 42 ALA H 50 56 25908207.75 . 4520519 . 112.5216463 . 8.53994308 . A 43 SER N A 43 SER H 100 106 27424734.5 . 4239318 . 116.4920813 . 8.174979431 . A 44 PHE N A 44 PHE H 187 203 44613005 . 6331671 . 120.8367213 . 8.358733719 . A 45 TRP N A 45 TRP H 18 24 27385405.38 . 4372031 . 118.7260166 . 8.808185918 . A 46 LEU N A 46 LEU H 211 230 52926565.75 . 7224759 . 121.2153459 . 8.421672001 . A 47 LEU N A 47 LEU H 96 102 35066095.25 . 5381813 . 121.4827967 . 8.193261993 . A 48 ALA N A 48 ALA H 170 178 23503946.5 . 3688741.75 . 114.5753883 . 7.366795233 . A 49 GLN N A 49 GLN H 154 160 16532724.62 . 2700257.25 . 111.3475411 . 7.564833228 . A 50 THR N A 50 THR H 174 186 20093901 . 3793192.5 . 120.0188593 . 7.194879646 . A 51 LEU N A 51 LEU H 176 188 24421113.62 . 3934423.5 . 118.9337898 . 7.115481044 . A 52 ALA N A 52 ALA H 199 215 21569058.75 . 2823275 . 113.9873021 . 7.741420589 . A 53 TYR N A 53 TYR H 133 139 31316624 . 4321650.5 . 119.3035461 . 7.823266228 . A 54 ILE N A 54 ILE H 95 101 45109824.25 . 7212561.5 . 118.4057972 . 8.200016609 . A 56 THR N A 56 THR H 21 27 36104117.25 . 6459958 . 107.2703272 . 8.774737436 . A 57 GLY N A 57 GLY H 181 195 24792071.88 . 4061761.25 . 119.5636724 . 6.882896141 . A 58 ILE N A 58 ILE H 124 130 23801831.62 . 3885671.5 . 121.4817713 . 7.914526312 . A 59 ALA N A 59 ALA H 31 37 28307530.5 . 4679837 . 115.1925013 . 8.702725421 . A 60 TYR N A 60 TYR H 106 112 27302516.25 . 4626647 . 119.7537277 . 8.124304802 . A 61 ALA N A 61 ALA H 102 108 21355914.25 . 3377535.75 . 116.0480323 . 8.155844474 . A 62 ILE N A 62 ILE H 29 35 30433362 . 4653916 . 121.3965464 . 8.715067344 . A 63 TRP N A 63 TRP H 7 13 20984202.38 . 3599902.75 . 119.5996783 . 9.177450095 . A 64 VAL N A 64 VAL H 62 68 21855315.75 . 3274517 . 109.5108945 . 8.437265588 . A 65 GLY N A 65 GLY H 46 52 37723842.5 . 5443310 . 118.2089002 . 8.570350638 . A 66 VAL N A 66 VAL H 180 192 16847672.19 . 2825392.25 . 105.9812324 . 6.983821158 . A 67 GLY N A 67 GLY H 24 30 42413268.75 . 5394386 . 121.0681847 . 8.748609122 . A 68 ILE N A 68 ILE H 167 175 44405508.75 . 7089205 . 119.5956147 . 7.449886732 . A 69 VAL N A 69 VAL H 191 207 33684713.25 . 4344093 . 118.1211826 . 8.55653211 . A 70 LEU N A 70 LEU H 12 18 27551888 . 4722066.5 . 119.897204 . 9.023938151 . A 71 ILE N A 71 ILE H 130 136 26775784.62 . 4279695 . 118.5245221 . 7.844313577 . A 72 SER N A 72 SER H 76 82 31437569.38 . 5183915.5 . 123.9680817 . 8.340007555 . A 73 LEU N A 73 LEU H 209 228 41816930.75 . 5780366.5 . 119.1559248 . 8.640549937 . A 74 LEU N A 74 LEU H 91 97 26130722.62 . 4390138 . 115.2658507 . 8.238107412 . A 75 SER N A 75 SER H 139 145 30908072 . 4778576 . 125.1709386 . 7.760251363 . A 76 TRP N A 76 TRP H 101 107 25653736.5 . 4234546 . 103.9665664 . 8.167986105 . A 77 GLY N A 77 GLY H 58 64 49599626.75 . 7796128 . 114.43958 . 8.453660319 . A 78 PHE N A 78 PHE H 183 199 21299969.5 . 3616295.5 . 112.3669811 . 6.800962032 . A 79 PHE N A 79 PHE H 166 174 29926257.5 . 5394600 . 108.896374 . 7.458345678 . A 80 GLY N A 80 GLY H 149 155 39871707.75 . 7378001 . 119.6205908 . 7.673311724 . A 81 GLN N A 81 GLN H 143 149 59891338.75 . 10906907 . 125.976257 . 7.745972569 . A 82 ARG N A 82 ARG H 185 201 44101607.25 . 7658536 . 122.7033963 . 6.41364565 . A 83 LEU N A 83 LEU H 165 173 70398282.25 . 12212603 . 119.1024377 . 7.458184267 . A 84 ASP N A 84 ASP H 25 31 51249366.62 . 8670700 . 118.5541541 . 8.751360765 . A 85 LEU N A 85 LEU H 157 164 39691865 . 6615370.5 . 117.5260655 . 7.532144769 . A 87 ALA N A 87 ALA H 88 94 30754525.5 . 4691193 . 118.3454682 . 8.252098335 . A 88 ILE N A 88 ILE H 22 28 27009157 . 4099147.25 . 119.2929398 . 8.768103595 . A 89 ILE N A 89 ILE H 16 22 46027682.25 . 8010981 . 107.5163038 . 8.829107965 . A 90 GLY N A 90 GLY H 42 48 27193012.88 . 4591928 . 120.7565758 . 8.623371662 . A 91 MET N A 91 MET H 48 54 26757414.25 . 4194070 . 120.2352449 . 8.565885143 . A 92 MET N A 92 MET H 90 96 24179164.25 . 3690621 . 120.4880232 . 8.239253893 . A 93 LEU N A 93 LEU H 120 126 16406650.19 . 3058808.75 . 118.608972 . 7.949539156 . A 94 ILE N A 94 ILE H 65 71 20809026.88 . 3175784 . 116.8847364 . 8.418889158 . A 95 CYS N A 95 CYS H 19 25 20277844 . 3618484.25 . 120.1053909 . 8.792619909 . A 96 ALA N A 96 ALA H 51 57 21515002.5 . 3804146.75 . 105.7389229 . 8.531563606 . A 97 GLY N A 97 GLY H 197 213 54176151.75 . 8168621.5 . 120.7528241 . 8.341334586 . A 98 VAL N A 98 VAL H 107 113 33850662 . 4827457 . 120.493059 . 8.119483988 . A 99 LEU N A 99 LEU H 60 66 35008147.5 . 4496553 . 119.3211265 . 8.439482257 . A 100 ILE N A 100 ILE H 116 122 23269146 . 3753213.5 . 117.7859723 . 8.011646728 . A 101 ILE N A 101 ILE H 169 177 21162873.5 . 3298595 . 114.2901314 . 7.430701829 . A 102 ASN N A 102 ASN H 78 84 21957318.25 . 3142011.5 . 115.3863038 . 8.346512286 . A 103 LEU N A 103 LEU H 151 157 22935475.31 . 3855964.5 . 114.7932374 . 7.64219639 . A 104 LEU N A 104 LEU H 178 190 30575121.5 . 5512146 . 112.7660883 . 7.050010249 . A 105 SER N A 105 SER H 5 11 39611188.12 . 7249856 . 127.2855715 . 9.25416056 . A 106 ARG N A 106 ARG H 74 80 54130605.5 . 9057996 . 117.2154771 . 8.352056015 . A 107 SER N A 107 SER H 134 140 84858174.5 . 15557078 . 117.4153988 . 7.824618231 . A 108 THR N A 108 THR H 131 137 117825016.5 . 23246204 . 123.7540998 . 7.831085108 . A 110 HIS N A 110 HIS H 98 104 54670621.25 . 9883942 . 121.8556961 . 8.184149248 . B 2 ASN N B 2 ASN H 77 83 27048291.25 . 3988471.5 . 116.4931787 . 8.342614754 . B 4 TYR N B 4 TYR H 138 144 21601476.06 . 3259932.5 . 121.2078792 . 7.775765553 . B 5 ILE N B 5 ILE H 202 219 13996570.75 . 2065164.375 . 118.852615 . 6.871234477 . B 6 TYR N B 6 TYR H 117 123 21816591.5 . 3884842 . 120.12179 . 7.984485887 . B 7 LEU N B 7 LEU H 27 33 25883882.25 . 4452955 . 106.4905764 . 8.728265227 . B 8 GLY N B 8 GLY H 30 36 25125836.38 . 4169629.5 . 109.4639009 . 8.714563247 . B 9 GLY N B 9 GLY H 14 20 34958078.25 . 5471418 . 124.9366509 . 8.898343822 . B 10 ALA N B 10 ALA H 44 50 22892276.5 . 3718496 . 123.0450607 . 8.588389358 . B 11 ILE N B 11 ILE H 79 85 57310153.25 . 9196956 . 120.7528241 . 8.33037075 . B 12 LEU N B 12 LEU H 56 62 32433777.25 . 5330842 . 119.3850019 . 8.481983778 . B 13 ALA N B 13 ALA H 146 152 29623648.12 . 4531061.5 . 119.401462 . 7.740486904 . B 14 GLU N B 14 GLU H 71 77 30368327.88 . 4584348.5 . 121.6665134 . 8.380200237 . B 15 VAL N B 15 VAL H 47 53 29390396.5 . 5001050 . 122.2555105 . 8.561463802 . B 16 ILE N B 16 ILE H 55 61 34199181.75 . 5434635.5 . 108.0163742 . 8.489926172 . B 17 GLY N B 17 GLY H 210 229 40875359.25 . 5926647 . 118.9980909 . 8.458034125 . B 18 THR N B 18 THR H 186 202 41466280.25 . 5770827.5 . 119.552406 . 7.77773889 . B 19 THR N B 19 THR H 87 93 34268454 . 5457638 . 120.7292032 . 8.273770361 . B 20 LEU N B 20 LEU H 103 109 42715148 . 5938493 . 121.3159704 . 8.146466446 . B 21 MET N B 21 MET H 144 150 42956865.25 . 6967116.5 . 122.4886424 . 7.73391159 . B 22 LYS N B 22 LYS H 152 158 35435722.5 . 5822300.5 . 117.9322773 . 7.61653238 . B 23 PHE N B 23 PHE H 125 131 29574763.75 . 5313343.5 . 115.126024 . 7.901313859 . B 24 SER N B 24 SER H 105 111 38072787.12 . 6535616.5 . 122.2913521 . 8.126064742 . B 25 GLU N B 25 GLU H 8 14 32148372.38 . 5593404.5 . 113.0317049 . 9.149938366 . B 26 GLY N B 26 GLY H 122 128 40017673.25 . 6354163 . 114.0885738 . 7.930838737 . B 27 PHE N B 27 PHE H 200 217 17624565.56 . 2525216 . 102.4235291 . 7.535025013 . B 28 THR N B 28 THR H 156 163 28800159.75 . 4915274 . 120.7653365 . 7.535894537 . B 29 ARG N B 29 ARG H 13 19 25106084.75 . 4608725 . 130.995554 . 8.946523638 . B 30 LEU N B 30 LEU H 6 12 46293775.5 . 8344732 . 118.7810645 . 9.213245664 . B 31 TRP N B 31 TRP H 173 184 24578568.75 . 3833318 . 115.8227698 . 7.297109039 . B 33 SER N B 33 SER H 196 212 56876293 . 9691578 . 121.977115 . 8.416531135 . B 34 VAL N B 34 VAL H 17 23 28463548.88 . 4906870 . 105.472821 . 8.827531082 . B 35 GLY N B 35 GLY H 81 87 21748578.88 . 3258260.75 . 121.3384628 . 8.301771346 . B 36 THR N B 36 THR H 159 166 29324502.88 . 4995783 . 119.6502039 . 7.520970953 . B 37 ILE N B 37 ILE H 68 74 41710212.75 . 6060284 . 119.487848 . 8.400357747 . B 38 ILE N B 38 ILE H 84 90 22972034.5 . 3376483 . 116.5747927 . 8.293538422 . B 39 CYS N B 39 CYS H 45 51 28041476.75 . 4791454 . 118.9967668 . 8.571129703 . B 40 TYR N B 40 TYR H 188 204 33540048 . 4470586 . 118.0933539 . 8.589213065 . B 41 CYS N B 41 CYS H 85 91 27853739.12 . 4360326.5 . 119.9305031 . 8.282653162 . B 42 ALA N B 42 ALA H 59 65 25330737.12 . 4348621 . 112.2588948 . 8.451347129 . B 43 SER N B 43 SER H 86 92 27299075.38 . 4367220.5 . 116.2778582 . 8.282773735 . B 44 PHE N B 44 PHE H 66 72 59992626 . 8570664 . 121.2357009 . 8.412065002 . B 45 TRP N B 45 TRP H 40 46 49200442.5 . 7168527 . 119.1559248 . 8.627600435 . B 46 LEU N B 46 LEU H 38 44 22859613.75 . 3774379 . 121.278687 . 8.640324995 . B 47 LEU N B 47 LEU H 189 205 38127755.75 . 4907240.5 . 121.2840862 . 8.755356045 . B 48 ALA N B 48 ALA H 172 183 22374559.62 . 3542181.5 . 114.9853704 . 7.321439954 . B 49 GLN N B 49 GLN H 163 171 13447593.88 . 2088961.625 . 107.3260088 . 7.475741048 . B 50 THR N B 50 THR H 182 198 17205021.62 . 2850662 . 117.9937459 . 6.827959017 . B 51 LEU N B 51 LEU H 177 189 22060062.25 . 3594259.5 . 120.2599435 . 7.060113437 . B 52 ALA N B 52 ALA H 158 165 21505176.19 . 3630322.5 . 113.2895747 . 7.534807219 . B 53 TYR N B 53 TYR H 136 142 39017117.75 . 5278805 . 119.4320029 . 7.794416145 . B 54 ILE N B 54 ILE H 10 16 15521733.44 . 2433007 . 124.1618277 . 9.09523532 . B 56 THR N B 56 THR H 2 8 20755893.88 . 3501178.25 . 106.7508744 . 9.92635593 . B 57 GLY N B 57 GLY H 184 200 22306962.38 . 3821777 . 117.9832574 . 6.459372423 . B 58 ILE N B 58 ILE H 80 86 24168336.75 . 3718709.5 . 121.9444221 . 8.319312825 . B 59 ALA N B 59 ALA H 75 81 29278774.75 . 4875080 . 115.9753233 . 8.355678774 . B 60 TYR N B 60 TYR H 113 119 28243524 . 4344173 . 118.4773665 . 8.036508185 . B 61 ALA N B 61 ALA H 52 58 47497944 . 8093919 . 117.1271026 . 8.519685627 . B 62 ILE N B 62 ILE H 64 70 56876293 . 9691578 . 121.9897794 . 8.430778552 . B 63 TRP N B 63 TRP H 37 43 37813271.5 . 5180466 . 120.3610697 . 8.659493513 . B 64 VAL N B 64 VAL H 43 49 21617765.38 . 3394321 . 108.2302579 . 8.597532917 . B 65 GLY N B 65 GLY H 11 17 23689332.62 . 3987776.25 . 120.2373931 . 9.02064544 . B 66 VAL N B 66 VAL H 179 191 20048711.81 . 3678319 . 106.4728957 . 7.017685154 . B 67 GLY N B 67 GLY H 127 133 29189816.75 . 4671918.5 . 120.9549153 . 7.890083906 . B 68 ILE N B 68 ILE H 148 154 29565326.25 . 4961751 . 122.5144962 . 7.697407295 . B 69 VAL N B 69 VAL H 92 98 18286459 . 3108237 . 117.5139662 . 8.23008966 . B 70 LEU N B 70 LEU H 34 40 53208515.75 . 8473204 . 119.5832829 . 8.687781056 . B 71 ILE N B 71 ILE H 112 118 27411649.75 . 4437511 . 119.2542166 . 8.034643785 . B 72 SER N B 72 SER H 104 110 55235017 . 7519563 . 121.2201084 . 8.129854455 . B 73 LEU N B 73 LEU H 35 41 44081875.5 . 6753858 . 120.1575857 . 8.673302497 . B 74 LEU N B 74 LEU H 206 225 46828559.25 . 8007943 . 117.1150378 . 8.530493642 . B 75 SER N B 75 SER H 135 141 30879391 . 5092657 . 124.5578158 . 7.809829691 . B 76 TRP N B 76 TRP H 36 42 29718372.62 . 5475960 . 105.3660589 . 8.662518735 . B 77 GLY N B 77 GLY H 97 103 26083119.88 . 4580055 . 113.3385088 . 8.196751806 . B 78 PHE N B 78 PHE H 175 187 21494243.25 . 3738319.5 . 114.1644644 . 7.182740053 . B 79 PHE N B 79 PHE H 123 129 33933218.25 . 6027979.5 . 108.9905175 . 7.926057784 . B 80 GLY N B 80 GLY H 145 151 54979690.25 . 10503989 . 120.505013 . 7.737962156 . B 81 GLN N B 81 GLN H 89 95 76286403.75 . 13284404 . 124.0587539 . 8.239588963 . B 82 ARG N B 82 ARG H 110 116 68749188 . 13388218 . 124.3843987 . 8.054521742 . B 83 LEU N B 83 LEU H 164 172 50751822.75 . 8761662 . 120.556118 . 7.45795218 . B 84 ASP N B 84 ASP H 26 32 55618878.25 . 9814950 . 118.8618815 . 8.729359384 . B 85 LEU N B 85 LEU H 162 169 35544067.25 . 5877246 . 117.8160593 . 7.481309326 . B 87 ALA N B 87 ALA H 121 127 26719006.38 . 4321677 . 118.0405387 . 7.941217211 . B 88 ILE N B 88 ILE H 204 223 51217965.25 . 8159583.5 . 119.5882192 . 8.669887018 . B 89 ILE N B 89 ILE H 212 231 46027682.25 . 8010981 . 107.5006758 . 8.824135285 . B 90 GLY N B 90 GLY H 205 224 44397971.75 . 7474800 . 119.7694707 . 8.532806524 . B 91 MET N B 91 MET H 194 210 35307986 . 5202585 . 119.5991447 . 8.423442748 . B 92 MET N B 92 MET H 83 89 21174519.88 . 3498700 . 119.5006112 . 8.289164925 . B 93 LEU N B 93 LEU H 141 147 15992470.88 . 2496856 . 117.8977508 . 7.765446267 . B 94 ILE N B 94 ILE H 108 114 18002710.25 . 2728356.75 . 116.2280399 . 8.113584444 . B 95 CYS N B 95 CYS H 39 45 34522588.25 . 4730772.5 . 120.2579917 . 8.632552675 . B 96 ALA N B 96 ALA H 63 69 22206828.12 . 3994886.5 . 105.7647453 . 8.432018178 . B 97 GLY N B 97 GLY H 99 105 22687256.88 . 3288605.25 . 120.2837548 . 8.189733804 . B 98 VAL N B 98 VAL H 114 120 22682225.69 . 3558752.25 . 119.697381 . 8.029637543 . B 99 LEU N B 99 LEU H 69 75 27876966.5 . 4418988.5 . 119.0396534 . 8.39406144 . B 100 ILE N B 100 ILE H 137 143 26981989.62 . 4357218 . 118.5841794 . 7.782774968 . B 101 ILE N B 101 ILE H 109 115 22847498.31 . 4047272 . 115.2228499 . 8.107359253 . B 102 ASN N B 102 ASN H 193 209 47539637 . 7453060.5 . 114.5188309 . 8.442939739 . B 103 LEU N B 103 LEU H 142 148 29545805.25 . 4162654.25 . 114.1599659 . 7.764663793 . B 104 LEU N B 104 LEU H 160 167 27952628.5 . 4611210.5 . 111.9209444 . 7.517577754 . B 105 SER N B 105 SER H 1 7 25235857.38 . 4762551.5 . 129.1386112 . 10.04021371 . B 106 ARG N B 106 ARG H 61 67 30082057 . 4711264 . 117.7779789 . 8.438268833 . B 107 SER N B 107 SER H 150 156 57973658.25 . 10706699 . 114.2634693 . 7.6687534 . B 108 THR N B 108 THR H 140 146 162146625.5 . 34255792 . 123.5345741 . 7.763944516 . B 110 HIS N B 110 HIS H ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . . ppm . . . . . . 51024 5 3 . . N 15 N . . . ppm . . . . . . 51024 5 stop_ save_