data_27433 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27433 _Entry.Title ; Double knot toxin (DkTx) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-25 _Entry.Accession_date 2018-03-25 _Entry.Last_release_date 2018-03-26 _Entry.Original_release_date 2018-03-26 _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 Venkatraman Ramanujam . . . . 27433 2 Mehdi Mobli . . . . 27433 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27433 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 347 27433 '15N chemical shifts' 75 27433 '1H chemical shifts' 519 27433 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 . . 2024-03-08 2018-03-25 update BMRB 'update entry citation' 27433 1 . . 2019-03-18 2018-03-25 original author 'original release' 27433 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27433 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37953402 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Basis of the Bivalency of the TRPV1 Agonist DkTx ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew Chem Int Ed Engl' _Citation.Journal_name_full 'Angewandte Chemie (International ed. in English)' _Citation.Journal_volume 63 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1521-3773 _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 e202314621 _Citation.Page_last e202314621 _Citation.Year 2024 _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 Venkatraman Ramanujam V. . . . 27433 1 2 Theo Crawford T. . . . 27433 1 3 Ben Cristofori-Armstrong B. . . . 27433 1 4 Jennifer Deuis J. R. . . 27433 1 5 Xinying Jia X. . . . 27433 1 6 Michael Maxwell M. J. . . 27433 1 7 Sina Jami S. . . . 27433 1 8 Linlin Ma L. . . . 27433 1 9 Irina Vetter I. . . . 27433 1 10 Mehdi Mobli M. . . . 27433 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27433 _Assembly.ID 1 _Assembly.Name 'Double knot toxin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 8820.25 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Double knot toxin' 1 $Double_knot_toxin A . yes native no no . . . 27433 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Double_knot_toxin _Entity.Sf_category entity _Entity.Sf_framecode Double_knot_toxin _Entity.Entry_ID 27433 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Double_knot_toxin _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 ; GDCAKEGEVCSWGKKCCDLD NFYCPMEFIPHCKKYKPYVP VTTSFNCAKEGEVCGWGSKC CHGLDCPLAFIPYCEKYR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 27433 1 2 . ASP . 27433 1 3 . CYS . 27433 1 4 . ALA . 27433 1 5 . LYS . 27433 1 6 . GLU . 27433 1 7 . GLY . 27433 1 8 . GLU . 27433 1 9 . VAL . 27433 1 10 . CYS . 27433 1 11 . SER . 27433 1 12 . TRP . 27433 1 13 . GLY . 27433 1 14 . LYS . 27433 1 15 . LYS . 27433 1 16 . CYS . 27433 1 17 . CYS . 27433 1 18 . ASP . 27433 1 19 . LEU . 27433 1 20 . ASP . 27433 1 21 . ASN . 27433 1 22 . PHE . 27433 1 23 . TYR . 27433 1 24 . CYS . 27433 1 25 . PRO . 27433 1 26 . MET . 27433 1 27 . GLU . 27433 1 28 . PHE . 27433 1 29 . ILE . 27433 1 30 . PRO . 27433 1 31 . HIS . 27433 1 32 . CYS . 27433 1 33 . LYS . 27433 1 34 . LYS . 27433 1 35 . TYR . 27433 1 36 . LYS . 27433 1 37 . PRO . 27433 1 38 . TYR . 27433 1 39 . VAL . 27433 1 40 . PRO . 27433 1 41 . VAL . 27433 1 42 . THR . 27433 1 43 . THR . 27433 1 44 . SER . 27433 1 45 . PHE . 27433 1 46 . ASN . 27433 1 47 . CYS . 27433 1 48 . ALA . 27433 1 49 . LYS . 27433 1 50 . GLU . 27433 1 51 . GLY . 27433 1 52 . GLU . 27433 1 53 . VAL . 27433 1 54 . CYS . 27433 1 55 . GLY . 27433 1 56 . TRP . 27433 1 57 . GLY . 27433 1 58 . SER . 27433 1 59 . LYS . 27433 1 60 . CYS . 27433 1 61 . CYS . 27433 1 62 . HIS . 27433 1 63 . GLY . 27433 1 64 . LEU . 27433 1 65 . ASP . 27433 1 66 . CYS . 27433 1 67 . PRO . 27433 1 68 . LEU . 27433 1 69 . ALA . 27433 1 70 . PHE . 27433 1 71 . ILE . 27433 1 72 . PRO . 27433 1 73 . TYR . 27433 1 74 . CYS . 27433 1 75 . GLU . 27433 1 76 . LYS . 27433 1 77 . TYR . 27433 1 78 . ARG . 27433 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27433 1 . ASP 2 2 27433 1 . CYS 3 3 27433 1 . ALA 4 4 27433 1 . LYS 5 5 27433 1 . GLU 6 6 27433 1 . GLY 7 7 27433 1 . GLU 8 8 27433 1 . VAL 9 9 27433 1 . CYS 10 10 27433 1 . SER 11 11 27433 1 . TRP 12 12 27433 1 . GLY 13 13 27433 1 . LYS 14 14 27433 1 . LYS 15 15 27433 1 . CYS 16 16 27433 1 . CYS 17 17 27433 1 . ASP 18 18 27433 1 . LEU 19 19 27433 1 . ASP 20 20 27433 1 . ASN 21 21 27433 1 . PHE 22 22 27433 1 . TYR 23 23 27433 1 . CYS 24 24 27433 1 . PRO 25 25 27433 1 . MET 26 26 27433 1 . GLU 27 27 27433 1 . PHE 28 28 27433 1 . ILE 29 29 27433 1 . PRO 30 30 27433 1 . HIS 31 31 27433 1 . CYS 32 32 27433 1 . LYS 33 33 27433 1 . LYS 34 34 27433 1 . TYR 35 35 27433 1 . LYS 36 36 27433 1 . PRO 37 37 27433 1 . TYR 38 38 27433 1 . VAL 39 39 27433 1 . PRO 40 40 27433 1 . VAL 41 41 27433 1 . THR 42 42 27433 1 . THR 43 43 27433 1 . SER 44 44 27433 1 . PHE 45 45 27433 1 . ASN 46 46 27433 1 . CYS 47 47 27433 1 . ALA 48 48 27433 1 . LYS 49 49 27433 1 . GLU 50 50 27433 1 . GLY 51 51 27433 1 . GLU 52 52 27433 1 . VAL 53 53 27433 1 . CYS 54 54 27433 1 . GLY 55 55 27433 1 . TRP 56 56 27433 1 . GLY 57 57 27433 1 . SER 58 58 27433 1 . LYS 59 59 27433 1 . CYS 60 60 27433 1 . CYS 61 61 27433 1 . HIS 62 62 27433 1 . GLY 63 63 27433 1 . LEU 64 64 27433 1 . ASP 65 65 27433 1 . CYS 66 66 27433 1 . PRO 67 67 27433 1 . LEU 68 68 27433 1 . ALA 69 69 27433 1 . PHE 70 70 27433 1 . ILE 71 71 27433 1 . PRO 72 72 27433 1 . TYR 73 73 27433 1 . CYS 74 74 27433 1 . GLU 75 75 27433 1 . LYS 76 76 27433 1 . TYR 77 77 27433 1 . ARG 78 78 27433 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27433 _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 $Double_knot_toxin . 29017 organism . 'Ornithoctonus huwena' 'Chinese earth tiger' . . Eukaryota Metazoa Ornithoctonus huwena . . . . . . . . . . . . . 27433 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27433 _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 $Double_knot_toxin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'Intein harbouring vectors' . . . 27433 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27433 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Double knot toxin' '[U-13C; U-15N]' . . 1 $Double_knot_toxin . . 300 . . uM . . . . 27433 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27433 1 3 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 27433 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 27433 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 27433 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.8 . pH 27433 1 pressure 1 . atm 27433 1 temperature 273 . K 27433 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 27433 _Software.ID 1 _Software.Type . _Software.Name CCPNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27433 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 27433 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27433 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27433 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 27433 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27433 _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 $spectrometer_1 . . . . . . . . . . . . . . . . . 27433 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27433 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27433 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27433 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27433 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27433 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27433 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27433 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27433 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27433 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27433 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27433 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27433 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27433 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27433 1 2 '3D HNCO' . . . 27433 1 3 '3D CBCA(CO)NH' . . . 27433 1 4 '3D HNCACB' . . . 27433 1 5 '3D HBHA(CO)NH' . . . 27433 1 6 '3D HCCH-TOCSY' . . . 27433 1 7 '3D 1H-15N NOESY' . . . 27433 1 8 '3D 1H-13C NOESY aliphatic' . . . 27433 1 9 '3D 1H-13C NOESY aromatic' . . . 27433 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 $CCPNMR . . 27433 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 GLY HA2 H 1 3.891 0.000 . . . . . . . 1 GLY HA2 . 27433 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.891 0.000 . . . . . . . 1 GLY HA3 . 27433 1 3 . 1 . 1 1 1 GLY CA C 13 43.274 0.000 . . . . . . . 1 GLY CA . 27433 1 4 . 1 . 1 2 2 ASP HA H 1 4.661 0.000 . . . . . . . 2 ASP HA . 27433 1 5 . 1 . 1 2 2 ASP HB2 H 1 2.688 0.000 . . . . . . . 2 ASP HB2 . 27433 1 6 . 1 . 1 2 2 ASP HB3 H 1 2.589 0.000 . . . . . . . 2 ASP HB3 . 27433 1 7 . 1 . 1 2 2 ASP C C 13 175.118 0.000 . . . . . . . 2 ASP C . 27433 1 8 . 1 . 1 2 2 ASP CA C 13 54.730 0.000 . . . . . . . 2 ASP CA . 27433 1 9 . 1 . 1 2 2 ASP CB C 13 41.263 0.000 . . . . . . . 2 ASP CB . 27433 1 10 . 1 . 1 3 3 CYS H H 1 8.005 0.000 . . . . . . . 3 CYS H . 27433 1 11 . 1 . 1 3 3 CYS HA H 1 4.971 0.000 . . . . . . . 3 CYS HA . 27433 1 12 . 1 . 1 3 3 CYS HB2 H 1 3.171 0.000 . . . . . . . 3 CYS HB2 . 27433 1 13 . 1 . 1 3 3 CYS HB3 H 1 2.968 0.000 . . . . . . . 3 CYS HB3 . 27433 1 14 . 1 . 1 3 3 CYS C C 13 172.720 0.000 . . . . . . . 3 CYS C . 27433 1 15 . 1 . 1 3 3 CYS CA C 13 53.529 0.000 . . . . . . . 3 CYS CA . 27433 1 16 . 1 . 1 3 3 CYS CB C 13 43.215 0.000 . . . . . . . 3 CYS CB . 27433 1 17 . 1 . 1 3 3 CYS N N 15 114.923 0.001 . . . . . . . 3 CYS N . 27433 1 18 . 1 . 1 4 4 ALA H H 1 9.233 0.000 . . . . . . . 4 ALA H . 27433 1 19 . 1 . 1 4 4 ALA HA H 1 4.472 0.000 . . . . . . . 4 ALA HA . 27433 1 20 . 1 . 1 4 4 ALA HB1 H 1 1.168 0.000 . . . . . . . 4 ALA QB . 27433 1 21 . 1 . 1 4 4 ALA HB2 H 1 1.168 0.000 . . . . . . . 4 ALA QB . 27433 1 22 . 1 . 1 4 4 ALA HB3 H 1 1.168 0.000 . . . . . . . 4 ALA QB . 27433 1 23 . 1 . 1 4 4 ALA C C 13 175.306 0.000 . . . . . . . 4 ALA C . 27433 1 24 . 1 . 1 4 4 ALA CA C 13 51.140 0.000 . . . . . . . 4 ALA CA . 27433 1 25 . 1 . 1 4 4 ALA CB C 13 20.804 0.000 . . . . . . . 4 ALA CB . 27433 1 26 . 1 . 1 4 4 ALA N N 15 125.263 0.004 . . . . . . . 4 ALA N . 27433 1 27 . 1 . 1 5 5 LYS H H 1 8.992 0.000 . . . . . . . 5 LYS H . 27433 1 28 . 1 . 1 5 5 LYS HA H 1 3.867 0.000 . . . . . . . 5 LYS HA . 27433 1 29 . 1 . 1 5 5 LYS HB2 H 1 1.825 0.000 . . . . . . . 5 LYS HB2 . 27433 1 30 . 1 . 1 5 5 LYS HB3 H 1 1.383 0.000 . . . . . . . 5 LYS HB3 . 27433 1 31 . 1 . 1 5 5 LYS HG2 H 1 1.264 0.000 . . . . . . . 5 LYS HG2 . 27433 1 32 . 1 . 1 5 5 LYS HG3 H 1 1.474 0.000 . . . . . . . 5 LYS HG3 . 27433 1 33 . 1 . 1 5 5 LYS HD2 H 1 1.629 0.000 . . . . . . . 5 LYS HD2 . 27433 1 34 . 1 . 1 5 5 LYS HD3 H 1 1.629 0.000 . . . . . . . 5 LYS HD3 . 27433 1 35 . 1 . 1 5 5 LYS HE2 H 1 2.968 0.000 . . . . . . . 5 LYS HE2 . 27433 1 36 . 1 . 1 5 5 LYS HE3 H 1 2.968 0.000 . . . . . . . 5 LYS HE3 . 27433 1 37 . 1 . 1 5 5 LYS C C 13 175.028 0.000 . . . . . . . 5 LYS C . 27433 1 38 . 1 . 1 5 5 LYS CA C 13 55.115 0.000 . . . . . . . 5 LYS CA . 27433 1 39 . 1 . 1 5 5 LYS CB C 13 33.240 0.000 . . . . . . . 5 LYS CB . 27433 1 40 . 1 . 1 5 5 LYS CG C 13 25.532 0.000 . . . . . . . 5 LYS CG . 27433 1 41 . 1 . 1 5 5 LYS CD C 13 29.336 0.000 . . . . . . . 5 LYS CD . 27433 1 42 . 1 . 1 5 5 LYS CE C 13 41.677 0.000 . . . . . . . 5 LYS CE . 27433 1 43 . 1 . 1 5 5 LYS N N 15 126.184 0.000 . . . . . . . 5 LYS N . 27433 1 44 . 1 . 1 6 6 GLU H H 1 7.678 0.000 . . . . . . . 6 GLU H . 27433 1 45 . 1 . 1 6 6 GLU HA H 1 3.219 0.000 . . . . . . . 6 GLU HA . 27433 1 46 . 1 . 1 6 6 GLU HB2 H 1 1.731 0.000 . . . . . . . 6 GLU HB2 . 27433 1 47 . 1 . 1 6 6 GLU HB3 H 1 1.587 0.000 . . . . . . . 6 GLU HB3 . 27433 1 48 . 1 . 1 6 6 GLU HG2 H 1 2.231 0.000 . . . . . . . 6 GLU HG2 . 27433 1 49 . 1 . 1 6 6 GLU HG3 H 1 2.157 0.000 . . . . . . . 6 GLU HG3 . 27433 1 50 . 1 . 1 6 6 GLU C C 13 177.233 0.000 . . . . . . . 6 GLU C . 27433 1 51 . 1 . 1 6 6 GLU CA C 13 58.389 0.000 . . . . . . . 6 GLU CA . 27433 1 52 . 1 . 1 6 6 GLU CB C 13 29.247 0.000 . . . . . . . 6 GLU CB . 27433 1 53 . 1 . 1 6 6 GLU CG C 13 35.820 0.000 . . . . . . . 6 GLU CG . 27433 1 54 . 1 . 1 6 6 GLU N N 15 120.324 0.002 . . . . . . . 6 GLU N . 27433 1 55 . 1 . 1 7 7 GLY H H 1 8.850 0.000 . . . . . . . 7 GLY H . 27433 1 56 . 1 . 1 7 7 GLY HA2 H 1 4.276 0.000 . . . . . . . 7 GLY HA2 . 27433 1 57 . 1 . 1 7 7 GLY HA3 H 1 3.590 0.000 . . . . . . . 7 GLY HA3 . 27433 1 58 . 1 . 1 7 7 GLY C C 13 173.820 0.000 . . . . . . . 7 GLY C . 27433 1 59 . 1 . 1 7 7 GLY CA C 13 45.660 0.000 . . . . . . . 7 GLY CA . 27433 1 60 . 1 . 1 7 7 GLY N N 15 113.486 0.007 . . . . . . . 7 GLY N . 27433 1 61 . 1 . 1 8 8 GLU H H 1 8.238 0.000 . . . . . . . 8 GLU H . 27433 1 62 . 1 . 1 8 8 GLU HA H 1 4.529 0.000 . . . . . . . 8 GLU HA . 27433 1 63 . 1 . 1 8 8 GLU HB2 H 1 2.205 0.000 . . . . . . . 8 GLU HB2 . 27433 1 64 . 1 . 1 8 8 GLU HB3 H 1 1.958 0.000 . . . . . . . 8 GLU HB3 . 27433 1 65 . 1 . 1 8 8 GLU HG2 H 1 2.151 0.000 . . . . . . . 8 GLU HG2 . 27433 1 66 . 1 . 1 8 8 GLU HG3 H 1 2.071 0.000 . . . . . . . 8 GLU HG3 . 27433 1 67 . 1 . 1 8 8 GLU C C 13 175.937 0.000 . . . . . . . 8 GLU C . 27433 1 68 . 1 . 1 8 8 GLU CA C 13 55.455 0.000 . . . . . . . 8 GLU CA . 27433 1 69 . 1 . 1 8 8 GLU CB C 13 30.740 0.000 . . . . . . . 8 GLU CB . 27433 1 70 . 1 . 1 8 8 GLU CG C 13 37.440 0.000 . . . . . . . 8 GLU CG . 27433 1 71 . 1 . 1 8 8 GLU N N 15 121.342 0.003 . . . . . . . 8 GLU N . 27433 1 72 . 1 . 1 9 9 VAL H H 1 8.222 0.000 . . . . . . . 9 VAL H . 27433 1 73 . 1 . 1 9 9 VAL HA H 1 4.250 0.000 . . . . . . . 9 VAL HA . 27433 1 74 . 1 . 1 9 9 VAL HB H 1 1.751 0.000 . . . . . . . 9 VAL HB . 27433 1 75 . 1 . 1 9 9 VAL HG11 H 1 0.783 0.000 . . . . . . . 9 VAL QG1 . 27433 1 76 . 1 . 1 9 9 VAL HG12 H 1 0.783 0.000 . . . . . . . 9 VAL QG1 . 27433 1 77 . 1 . 1 9 9 VAL HG13 H 1 0.783 0.000 . . . . . . . 9 VAL QG1 . 27433 1 78 . 1 . 1 9 9 VAL HG21 H 1 0.729 0.000 . . . . . . . 9 VAL QG2 . 27433 1 79 . 1 . 1 9 9 VAL HG22 H 1 0.729 0.000 . . . . . . . 9 VAL QG2 . 27433 1 80 . 1 . 1 9 9 VAL HG23 H 1 0.729 0.000 . . . . . . . 9 VAL QG2 . 27433 1 81 . 1 . 1 9 9 VAL C C 13 175.318 0.000 . . . . . . . 9 VAL C . 27433 1 82 . 1 . 1 9 9 VAL CA C 13 63.039 0.000 . . . . . . . 9 VAL CA . 27433 1 83 . 1 . 1 9 9 VAL CB C 13 31.778 0.000 . . . . . . . 9 VAL CB . 27433 1 84 . 1 . 1 9 9 VAL CG1 C 13 21.094 0.000 . . . . . . . 9 VAL CG1 . 27433 1 85 . 1 . 1 9 9 VAL CG2 C 13 22.200 0.000 . . . . . . . 9 VAL CG2 . 27433 1 86 . 1 . 1 9 9 VAL N N 15 120.799 0.004 . . . . . . . 9 VAL N . 27433 1 87 . 1 . 1 10 10 CYS H H 1 7.771 0.000 . . . . . . . 10 CYS H . 27433 1 88 . 1 . 1 10 10 CYS HA H 1 5.076 0.000 . . . . . . . 10 CYS HA . 27433 1 89 . 1 . 1 10 10 CYS HB2 H 1 3.391 0.000 . . . . . . . 10 CYS HB2 . 27433 1 90 . 1 . 1 10 10 CYS HB3 H 1 3.165 0.000 . . . . . . . 10 CYS HB3 . 27433 1 91 . 1 . 1 10 10 CYS C C 13 172.271 0.000 . . . . . . . 10 CYS C . 27433 1 92 . 1 . 1 10 10 CYS CA C 13 52.401 0.000 . . . . . . . 10 CYS CA . 27433 1 93 . 1 . 1 10 10 CYS CB C 13 47.982 0.000 . . . . . . . 10 CYS CB . 27433 1 94 . 1 . 1 10 10 CYS N N 15 121.893 0.002 . . . . . . . 10 CYS N . 27433 1 95 . 1 . 1 11 11 SER H H 1 8.348 0.000 . . . . . . . 11 SER H . 27433 1 96 . 1 . 1 11 11 SER HA H 1 4.525 0.000 . . . . . . . 11 SER HA . 27433 1 97 . 1 . 1 11 11 SER HB2 H 1 3.941 0.000 . . . . . . . 11 SER HB2 . 27433 1 98 . 1 . 1 11 11 SER HB3 H 1 3.793 0.000 . . . . . . . 11 SER HB3 . 27433 1 99 . 1 . 1 11 11 SER C C 13 175.248 0.000 . . . . . . . 11 SER C . 27433 1 100 . 1 . 1 11 11 SER CA C 13 57.656 0.000 . . . . . . . 11 SER CA . 27433 1 101 . 1 . 1 11 11 SER CB C 13 65.493 0.000 . . . . . . . 11 SER CB . 27433 1 102 . 1 . 1 11 11 SER N N 15 112.634 0.000 . . . . . . . 11 SER N . 27433 1 103 . 1 . 1 12 12 TRP H H 1 8.620 0.000 . . . . . . . 12 TRP H . 27433 1 104 . 1 . 1 12 12 TRP HA H 1 4.364 0.000 . . . . . . . 12 TRP HA . 27433 1 105 . 1 . 1 12 12 TRP HB2 H 1 3.289 0.000 . . . . . . . 12 TRP HB2 . 27433 1 106 . 1 . 1 12 12 TRP HB3 H 1 3.289 0.000 . . . . . . . 12 TRP HB3 . 27433 1 107 . 1 . 1 12 12 TRP HD1 H 1 7.269 0.001 . . . . . . . 12 TRP HD1 . 27433 1 108 . 1 . 1 12 12 TRP HE1 H 1 10.123 0.000 . . . . . . . 12 TRP HE1 . 27433 1 109 . 1 . 1 12 12 TRP HE3 H 1 7.509 0.000 . . . . . . . 12 TRP HE3 . 27433 1 110 . 1 . 1 12 12 TRP HZ2 H 1 7.442 0.001 . . . . . . . 12 TRP HZ2 . 27433 1 111 . 1 . 1 12 12 TRP HZ3 H 1 7.102 0.000 . . . . . . . 12 TRP HZ3 . 27433 1 112 . 1 . 1 12 12 TRP HH2 H 1 7.221 0.000 . . . . . . . 12 TRP HH2 . 27433 1 113 . 1 . 1 12 12 TRP C C 13 177.340 0.000 . . . . . . . 12 TRP C . 27433 1 114 . 1 . 1 12 12 TRP CA C 13 59.665 0.000 . . . . . . . 12 TRP CA . 27433 1 115 . 1 . 1 12 12 TRP CB C 13 28.234 0.000 . . . . . . . 12 TRP CB . 27433 1 116 . 1 . 1 12 12 TRP CD1 C 13 128.224 0.000 . . . . . . . 12 TRP CD1 . 27433 1 117 . 1 . 1 12 12 TRP CE3 C 13 121.766 0.000 . . . . . . . 12 TRP CE3 . 27433 1 118 . 1 . 1 12 12 TRP CZ2 C 13 115.747 0.000 . . . . . . . 12 TRP CZ2 . 27433 1 119 . 1 . 1 12 12 TRP CZ3 C 13 122.953 0.000 . . . . . . . 12 TRP CZ3 . 27433 1 120 . 1 . 1 12 12 TRP CH2 C 13 125.684 0.000 . . . . . . . 12 TRP CH2 . 27433 1 121 . 1 . 1 12 12 TRP N N 15 120.612 0.001 . . . . . . . 12 TRP N . 27433 1 122 . 1 . 1 12 12 TRP NE1 N 15 129.112 0.000 . . . . . . . 12 TRP NE1 . 27433 1 123 . 1 . 1 13 13 GLY H H 1 8.040 0.000 . . . . . . . 13 GLY H . 27433 1 124 . 1 . 1 13 13 GLY HA2 H 1 3.861 0.000 . . . . . . . 13 GLY HA2 . 27433 1 125 . 1 . 1 13 13 GLY HA3 H 1 3.623 0.000 . . . . . . . 13 GLY HA3 . 27433 1 126 . 1 . 1 13 13 GLY C C 13 173.345 0.000 . . . . . . . 13 GLY C . 27433 1 127 . 1 . 1 13 13 GLY CA C 13 44.865 0.000 . . . . . . . 13 GLY CA . 27433 1 128 . 1 . 1 13 13 GLY N N 15 104.849 0.001 . . . . . . . 13 GLY N . 27433 1 129 . 1 . 1 14 14 LYS H H 1 7.465 0.000 . . . . . . . 14 LYS H . 27433 1 130 . 1 . 1 14 14 LYS HA H 1 4.371 0.000 . . . . . . . 14 LYS HA . 27433 1 131 . 1 . 1 14 14 LYS HB2 H 1 1.787 0.000 . . . . . . . 14 LYS HB2 . 27433 1 132 . 1 . 1 14 14 LYS HB3 H 1 1.400 0.000 . . . . . . . 14 LYS HB3 . 27433 1 133 . 1 . 1 14 14 LYS HG2 H 1 1.458 0.000 . . . . . . . 14 LYS HG2 . 27433 1 134 . 1 . 1 14 14 LYS HG3 H 1 1.458 0.000 . . . . . . . 14 LYS HG3 . 27433 1 135 . 1 . 1 14 14 LYS HD2 H 1 1.638 0.000 . . . . . . . 14 LYS HD2 . 27433 1 136 . 1 . 1 14 14 LYS HD3 H 1 1.558 0.000 . . . . . . . 14 LYS HD3 . 27433 1 137 . 1 . 1 14 14 LYS HE2 H 1 2.942 0.000 . . . . . . . 14 LYS HE2 . 27433 1 138 . 1 . 1 14 14 LYS HE3 H 1 2.942 0.000 . . . . . . . 14 LYS HE3 . 27433 1 139 . 1 . 1 14 14 LYS C C 13 173.699 0.000 . . . . . . . 14 LYS C . 27433 1 140 . 1 . 1 14 14 LYS CA C 13 55.535 0.000 . . . . . . . 14 LYS CA . 27433 1 141 . 1 . 1 14 14 LYS CB C 13 32.667 0.000 . . . . . . . 14 LYS CB . 27433 1 142 . 1 . 1 14 14 LYS CG C 13 25.186 0.000 . . . . . . . 14 LYS CG . 27433 1 143 . 1 . 1 14 14 LYS CD C 13 29.153 0.000 . . . . . . . 14 LYS CD . 27433 1 144 . 1 . 1 14 14 LYS CE C 13 42.302 0.000 . . . . . . . 14 LYS CE . 27433 1 145 . 1 . 1 14 14 LYS N N 15 125.302 0.002 . . . . . . . 14 LYS N . 27433 1 146 . 1 . 1 15 15 LYS H H 1 8.261 0.000 . . . . . . . 15 LYS H . 27433 1 147 . 1 . 1 15 15 LYS HA H 1 4.354 0.000 . . . . . . . 15 LYS HA . 27433 1 148 . 1 . 1 15 15 LYS HB2 H 1 1.922 0.000 . . . . . . . 15 LYS HB2 . 27433 1 149 . 1 . 1 15 15 LYS HB3 H 1 1.639 0.000 . . . . . . . 15 LYS HB3 . 27433 1 150 . 1 . 1 15 15 LYS HG2 H 1 1.459 0.000 . . . . . . . 15 LYS HG2 . 27433 1 151 . 1 . 1 15 15 LYS HG3 H 1 1.459 0.000 . . . . . . . 15 LYS HG3 . 27433 1 152 . 1 . 1 15 15 LYS HD2 H 1 1.648 0.000 . . . . . . . 15 LYS HD2 . 27433 1 153 . 1 . 1 15 15 LYS HD3 H 1 1.648 0.000 . . . . . . . 15 LYS HD3 . 27433 1 154 . 1 . 1 15 15 LYS HE2 H 1 2.965 0.000 . . . . . . . 15 LYS HE2 . 27433 1 155 . 1 . 1 15 15 LYS HE3 H 1 2.965 0.000 . . . . . . . 15 LYS HE3 . 27433 1 156 . 1 . 1 15 15 LYS C C 13 177.451 0.000 . . . . . . . 15 LYS C . 27433 1 157 . 1 . 1 15 15 LYS CA C 13 55.230 0.000 . . . . . . . 15 LYS CA . 27433 1 158 . 1 . 1 15 15 LYS CB C 13 33.631 0.000 . . . . . . . 15 LYS CB . 27433 1 159 . 1 . 1 15 15 LYS CG C 13 24.890 0.000 . . . . . . . 15 LYS CG . 27433 1 160 . 1 . 1 15 15 LYS CD C 13 29.356 0.000 . . . . . . . 15 LYS CD . 27433 1 161 . 1 . 1 15 15 LYS CE C 13 42.000 0.000 . . . . . . . 15 LYS CE . 27433 1 162 . 1 . 1 15 15 LYS N N 15 123.572 0.001 . . . . . . . 15 LYS N . 27433 1 163 . 1 . 1 16 16 CYS H H 1 8.835 0.000 . . . . . . . 16 CYS H . 27433 1 164 . 1 . 1 16 16 CYS HA H 1 4.869 0.000 . . . . . . . 16 CYS HA . 27433 1 165 . 1 . 1 16 16 CYS HB2 H 1 3.102 0.000 . . . . . . . 16 CYS HB2 . 27433 1 166 . 1 . 1 16 16 CYS HB3 H 1 2.413 0.000 . . . . . . . 16 CYS HB3 . 27433 1 167 . 1 . 1 16 16 CYS C C 13 175.121 0.000 . . . . . . . 16 CYS C . 27433 1 168 . 1 . 1 16 16 CYS CA C 13 56.857 0.000 . . . . . . . 16 CYS CA . 27433 1 169 . 1 . 1 16 16 CYS CB C 13 38.879 0.000 . . . . . . . 16 CYS CB . 27433 1 170 . 1 . 1 16 16 CYS N N 15 118.802 0.004 . . . . . . . 16 CYS N . 27433 1 171 . 1 . 1 17 17 CYS H H 1 9.339 0.000 . . . . . . . 17 CYS H . 27433 1 172 . 1 . 1 17 17 CYS HA H 1 4.352 0.000 . . . . . . . 17 CYS HA . 27433 1 173 . 1 . 1 17 17 CYS HB2 H 1 3.166 0.000 . . . . . . . 17 CYS HB2 . 27433 1 174 . 1 . 1 17 17 CYS HB3 H 1 2.384 0.000 . . . . . . . 17 CYS HB3 . 27433 1 175 . 1 . 1 17 17 CYS C C 13 174.498 0.000 . . . . . . . 17 CYS C . 27433 1 176 . 1 . 1 17 17 CYS CA C 13 54.468 0.000 . . . . . . . 17 CYS CA . 27433 1 177 . 1 . 1 17 17 CYS CB C 13 40.156 0.000 . . . . . . . 17 CYS CB . 27433 1 178 . 1 . 1 17 17 CYS N N 15 121.343 0.006 . . . . . . . 17 CYS N . 27433 1 179 . 1 . 1 18 18 ASP H H 1 8.493 0.000 . . . . . . . 18 ASP H . 27433 1 180 . 1 . 1 18 18 ASP HA H 1 4.506 0.000 . . . . . . . 18 ASP HA . 27433 1 181 . 1 . 1 18 18 ASP HB2 H 1 3.421 0.000 . . . . . . . 18 ASP HB2 . 27433 1 182 . 1 . 1 18 18 ASP HB3 H 1 2.513 0.000 . . . . . . . 18 ASP HB3 . 27433 1 183 . 1 . 1 18 18 ASP C C 13 176.048 0.000 . . . . . . . 18 ASP C . 27433 1 184 . 1 . 1 18 18 ASP CA C 13 53.943 0.000 . . . . . . . 18 ASP CA . 27433 1 185 . 1 . 1 18 18 ASP CB C 13 39.353 0.000 . . . . . . . 18 ASP CB . 27433 1 186 . 1 . 1 18 18 ASP N N 15 118.146 0.000 . . . . . . . 18 ASP N . 27433 1 187 . 1 . 1 19 19 LEU H H 1 8.565 0.000 . . . . . . . 19 LEU H . 27433 1 188 . 1 . 1 19 19 LEU HA H 1 4.863 0.000 . . . . . . . 19 LEU HA . 27433 1 189 . 1 . 1 19 19 LEU HB2 H 1 1.821 0.000 . . . . . . . 19 LEU HB2 . 27433 1 190 . 1 . 1 19 19 LEU HB3 H 1 1.757 0.000 . . . . . . . 19 LEU HB3 . 27433 1 191 . 1 . 1 19 19 LEU HG H 1 1.899 0.000 . . . . . . . 19 LEU HG . 27433 1 192 . 1 . 1 19 19 LEU HD11 H 1 1.011 0.000 . . . . . . . 19 LEU QD1 . 27433 1 193 . 1 . 1 19 19 LEU HD12 H 1 1.011 0.000 . . . . . . . 19 LEU QD1 . 27433 1 194 . 1 . 1 19 19 LEU HD13 H 1 1.011 0.000 . . . . . . . 19 LEU QD1 . 27433 1 195 . 1 . 1 19 19 LEU HD21 H 1 1.003 0.000 . . . . . . . 19 LEU QD2 . 27433 1 196 . 1 . 1 19 19 LEU HD22 H 1 1.003 0.000 . . . . . . . 19 LEU QD2 . 27433 1 197 . 1 . 1 19 19 LEU HD23 H 1 1.003 0.000 . . . . . . . 19 LEU QD2 . 27433 1 198 . 1 . 1 19 19 LEU C C 13 178.436 0.000 . . . . . . . 19 LEU C . 27433 1 199 . 1 . 1 19 19 LEU CA C 13 56.430 0.000 . . . . . . . 19 LEU CA . 27433 1 200 . 1 . 1 19 19 LEU CB C 13 41.676 0.000 . . . . . . . 19 LEU CB . 27433 1 201 . 1 . 1 19 19 LEU CG C 13 26.770 0.000 . . . . . . . 19 LEU CG . 27433 1 202 . 1 . 1 19 19 LEU CD1 C 13 24.200 0.000 . . . . . . . 19 LEU CD1 . 27433 1 203 . 1 . 1 19 19 LEU CD2 C 13 26.060 0.000 . . . . . . . 19 LEU CD2 . 27433 1 204 . 1 . 1 19 19 LEU N N 15 122.554 0.003 . . . . . . . 19 LEU N . 27433 1 205 . 1 . 1 20 20 ASP H H 1 8.266 0.000 . . . . . . . 20 ASP H . 27433 1 206 . 1 . 1 20 20 ASP HA H 1 4.588 0.000 . . . . . . . 20 ASP HA . 27433 1 207 . 1 . 1 20 20 ASP HB2 H 1 2.660 0.000 . . . . . . . 20 ASP HB2 . 27433 1 208 . 1 . 1 20 20 ASP HB3 H 1 2.691 0.000 . . . . . . . 20 ASP HB3 . 27433 1 209 . 1 . 1 20 20 ASP C C 13 176.673 0.000 . . . . . . . 20 ASP C . 27433 1 210 . 1 . 1 20 20 ASP CA C 13 56.714 0.000 . . . . . . . 20 ASP CA . 27433 1 211 . 1 . 1 20 20 ASP CB C 13 40.938 0.000 . . . . . . . 20 ASP CB . 27433 1 212 . 1 . 1 20 20 ASP N N 15 117.484 0.001 . . . . . . . 20 ASP N . 27433 1 213 . 1 . 1 21 21 ASN H H 1 8.023 0.000 . . . . . . . 21 ASN H . 27433 1 214 . 1 . 1 21 21 ASN HA H 1 4.871 0.000 . . . . . . . 21 ASN HA . 27433 1 215 . 1 . 1 21 21 ASN HB2 H 1 2.557 0.000 . . . . . . . 21 ASN HB2 . 27433 1 216 . 1 . 1 21 21 ASN HB3 H 1 2.163 0.000 . . . . . . . 21 ASN HB3 . 27433 1 217 . 1 . 1 21 21 ASN HD21 H 1 6.992 0.000 . . . . . . . 21 ASN HD21 . 27433 1 218 . 1 . 1 21 21 ASN HD22 H 1 8.834 0.002 . . . . . . . 21 ASN HD22 . 27433 1 219 . 1 . 1 21 21 ASN C C 13 173.481 0.000 . . . . . . . 21 ASN C . 27433 1 220 . 1 . 1 21 21 ASN CA C 13 54.310 0.000 . . . . . . . 21 ASN CA . 27433 1 221 . 1 . 1 21 21 ASN CB C 13 43.141 0.000 . . . . . . . 21 ASN CB . 27433 1 222 . 1 . 1 21 21 ASN N N 15 114.460 0.000 . . . . . . . 21 ASN N . 27433 1 223 . 1 . 1 21 21 ASN ND2 N 15 118.863 0.000 . . . . . . . 21 ASN ND2 . 27433 1 224 . 1 . 1 22 22 PHE H H 1 8.468 0.000 . . . . . . . 22 PHE H . 27433 1 225 . 1 . 1 22 22 PHE HA H 1 5.356 0.000 . . . . . . . 22 PHE HA . 27433 1 226 . 1 . 1 22 22 PHE HB2 H 1 3.090 0.000 . . . . . . . 22 PHE HB2 . 27433 1 227 . 1 . 1 22 22 PHE HB3 H 1 2.663 0.000 . . . . . . . 22 PHE HB3 . 27433 1 228 . 1 . 1 22 22 PHE HD1 H 1 7.253 0.000 . . . . . . . 22 PHE QD . 27433 1 229 . 1 . 1 22 22 PHE HD2 H 1 7.253 0.000 . . . . . . . 22 PHE QD . 27433 1 230 . 1 . 1 22 22 PHE HE1 H 1 7.321 0.000 . . . . . . . 22 PHE QE . 27433 1 231 . 1 . 1 22 22 PHE HE2 H 1 7.321 0.000 . . . . . . . 22 PHE QE . 27433 1 232 . 1 . 1 22 22 PHE HZ H 1 7.253 0.000 . . . . . . . 22 PHE HZ . 27433 1 233 . 1 . 1 22 22 PHE C C 13 173.465 0.000 . . . . . . . 22 PHE C . 27433 1 234 . 1 . 1 22 22 PHE CA C 13 56.914 0.000 . . . . . . . 22 PHE CA . 27433 1 235 . 1 . 1 22 22 PHE CB C 13 43.024 0.000 . . . . . . . 22 PHE CB . 27433 1 236 . 1 . 1 22 22 PHE CD1 C 13 130.207 0.000 . . . . . . . 22 PHE CD1 . 27433 1 237 . 1 . 1 22 22 PHE CD2 C 13 130.207 0.000 . . . . . . . 22 PHE CD2 . 27433 1 238 . 1 . 1 22 22 PHE CE1 C 13 131.099 0.000 . . . . . . . 22 PHE CE1 . 27433 1 239 . 1 . 1 22 22 PHE CE2 C 13 131.099 0.000 . . . . . . . 22 PHE CE2 . 27433 1 240 . 1 . 1 22 22 PHE CZ C 13 130.207 0.000 . . . . . . . 22 PHE CZ . 27433 1 241 . 1 . 1 22 22 PHE N N 15 120.747 0.002 . . . . . . . 22 PHE N . 27433 1 242 . 1 . 1 23 23 TYR H H 1 9.218 0.000 . . . . . . . 23 TYR H . 27433 1 243 . 1 . 1 23 23 TYR HA H 1 4.806 0.000 . . . . . . . 23 TYR HA . 27433 1 244 . 1 . 1 23 23 TYR HB2 H 1 2.650 0.000 . . . . . . . 23 TYR HB2 . 27433 1 245 . 1 . 1 23 23 TYR HB3 H 1 2.776 0.000 . . . . . . . 23 TYR HB3 . 27433 1 246 . 1 . 1 23 23 TYR HD1 H 1 6.413 0.000 . . . . . . . 23 TYR QD . 27433 1 247 . 1 . 1 23 23 TYR HD2 H 1 6.413 0.000 . . . . . . . 23 TYR QD . 27433 1 248 . 1 . 1 23 23 TYR HE1 H 1 6.486 0.000 . . . . . . . 23 TYR QE . 27433 1 249 . 1 . 1 23 23 TYR HE2 H 1 6.486 0.000 . . . . . . . 23 TYR QE . 27433 1 250 . 1 . 1 23 23 TYR C C 13 171.608 0.000 . . . . . . . 23 TYR C . 27433 1 251 . 1 . 1 23 23 TYR CA C 13 54.716 0.000 . . . . . . . 23 TYR CA . 27433 1 252 . 1 . 1 23 23 TYR CB C 13 41.767 0.000 . . . . . . . 23 TYR CB . 27433 1 253 . 1 . 1 23 23 TYR CD1 C 13 134.709 0.000 . . . . . . . 23 TYR CD1 . 27433 1 254 . 1 . 1 23 23 TYR CD2 C 13 134.709 0.002 . . . . . . . 23 TYR CD2 . 27433 1 255 . 1 . 1 23 23 TYR CE1 C 13 117.962 0.000 . . . . . . . 23 TYR CE1 . 27433 1 256 . 1 . 1 23 23 TYR CE2 C 13 117.962 0.000 . . . . . . . 23 TYR CE2 . 27433 1 257 . 1 . 1 23 23 TYR N N 15 115.608 0.004 . . . . . . . 23 TYR N . 27433 1 258 . 1 . 1 24 24 CYS H H 1 8.759 0.000 . . . . . . . 24 CYS H . 27433 1 259 . 1 . 1 24 24 CYS HA H 1 5.052 0.000 . . . . . . . 24 CYS HA . 27433 1 260 . 1 . 1 24 24 CYS HB2 H 1 3.157 0.000 . . . . . . . 24 CYS HB2 . 27433 1 261 . 1 . 1 24 24 CYS HB3 H 1 3.065 0.000 . . . . . . . 24 CYS HB3 . 27433 1 262 . 1 . 1 24 24 CYS CA C 13 51.670 0.000 . . . . . . . 24 CYS CA . 27433 1 263 . 1 . 1 24 24 CYS CB C 13 41.125 0.000 . . . . . . . 24 CYS CB . 27433 1 264 . 1 . 1 24 24 CYS N N 15 122.481 0.000 . . . . . . . 24 CYS N . 27433 1 265 . 1 . 1 25 25 PRO HA H 1 4.515 0.000 . . . . . . . 25 PRO HA . 27433 1 266 . 1 . 1 25 25 PRO HB2 H 1 2.169 0.000 . . . . . . . 25 PRO HB2 . 27433 1 267 . 1 . 1 25 25 PRO HB3 H 1 1.937 0.000 . . . . . . . 25 PRO HB3 . 27433 1 268 . 1 . 1 25 25 PRO HG2 H 1 1.900 0.000 . . . . . . . 25 PRO HG2 . 27433 1 269 . 1 . 1 25 25 PRO HG3 H 1 1.900 0.000 . . . . . . . 25 PRO HG3 . 27433 1 270 . 1 . 1 25 25 PRO HD2 H 1 3.756 0.000 . . . . . . . 25 PRO HD2 . 27433 1 271 . 1 . 1 25 25 PRO HD3 H 1 3.394 0.000 . . . . . . . 25 PRO HD3 . 27433 1 272 . 1 . 1 25 25 PRO C C 13 175.167 0.000 . . . . . . . 25 PRO C . 27433 1 273 . 1 . 1 25 25 PRO CA C 13 62.641 0.000 . . . . . . . 25 PRO CA . 27433 1 274 . 1 . 1 25 25 PRO CB C 13 33.450 0.000 . . . . . . . 25 PRO CB . 27433 1 275 . 1 . 1 25 25 PRO CG C 13 27.174 0.000 . . . . . . . 25 PRO CG . 27433 1 276 . 1 . 1 25 25 PRO CD C 13 52.350 0.000 . . . . . . . 25 PRO CD . 27433 1 277 . 1 . 1 26 26 MET H H 1 8.553 0.000 . . . . . . . 26 MET H . 27433 1 278 . 1 . 1 26 26 MET HA H 1 4.523 0.000 . . . . . . . 26 MET HA . 27433 1 279 . 1 . 1 26 26 MET HB2 H 1 2.104 0.000 . . . . . . . 26 MET HB2 . 27433 1 280 . 1 . 1 26 26 MET HB3 H 1 1.946 0.000 . . . . . . . 26 MET HB3 . 27433 1 281 . 1 . 1 26 26 MET HG2 H 1 2.505 0.000 . . . . . . . 26 MET HG2 . 27433 1 282 . 1 . 1 26 26 MET HG3 H 1 2.573 0.000 . . . . . . . 26 MET HG3 . 27433 1 283 . 1 . 1 26 26 MET HE1 H 1 2.057 0.000 . . . . . . . 26 MET QE . 27433 1 284 . 1 . 1 26 26 MET HE2 H 1 2.057 0.000 . . . . . . . 26 MET QE . 27433 1 285 . 1 . 1 26 26 MET HE3 H 1 2.057 0.000 . . . . . . . 26 MET QE . 27433 1 286 . 1 . 1 26 26 MET C C 13 174.933 0.000 . . . . . . . 26 MET C . 27433 1 287 . 1 . 1 26 26 MET CA C 13 54.573 0.000 . . . . . . . 26 MET CA . 27433 1 288 . 1 . 1 26 26 MET CB C 13 30.471 0.000 . . . . . . . 26 MET CB . 27433 1 289 . 1 . 1 26 26 MET CG C 13 32.020 0.000 . . . . . . . 26 MET CG . 27433 1 290 . 1 . 1 26 26 MET CE C 13 16.991 0.000 . . . . . . . 26 MET CE . 27433 1 291 . 1 . 1 26 26 MET N N 15 120.078 0.003 . . . . . . . 26 MET N . 27433 1 292 . 1 . 1 27 27 GLU H H 1 7.240 0.000 . . . . . . . 27 GLU H . 27433 1 293 . 1 . 1 27 27 GLU HA H 1 4.519 0.000 . . . . . . . 27 GLU HA . 27433 1 294 . 1 . 1 27 27 GLU HB2 H 1 2.135 0.000 . . . . . . . 27 GLU HB2 . 27433 1 295 . 1 . 1 27 27 GLU HB3 H 1 1.502 0.000 . . . . . . . 27 GLU HB3 . 27433 1 296 . 1 . 1 27 27 GLU HG2 H 1 2.205 0.000 . . . . . . . 27 GLU HG2 . 27433 1 297 . 1 . 1 27 27 GLU HG3 H 1 1.955 0.000 . . . . . . . 27 GLU HG3 . 27433 1 298 . 1 . 1 27 27 GLU C C 13 175.157 0.000 . . . . . . . 27 GLU C . 27433 1 299 . 1 . 1 27 27 GLU CA C 13 54.134 0.000 . . . . . . . 27 GLU CA . 27433 1 300 . 1 . 1 27 27 GLU CB C 13 33.780 0.000 . . . . . . . 27 GLU CB . 27433 1 301 . 1 . 1 27 27 GLU CG C 13 36.090 0.000 . . . . . . . 27 GLU CG . 27433 1 302 . 1 . 1 27 27 GLU N N 15 121.730 0.004 . . . . . . . 27 GLU N . 27433 1 303 . 1 . 1 28 28 PHE H H 1 8.473 0.000 . . . . . . . 28 PHE H . 27433 1 304 . 1 . 1 28 28 PHE HA H 1 4.340 0.000 . . . . . . . 28 PHE HA . 27433 1 305 . 1 . 1 28 28 PHE HB2 H 1 3.188 0.000 . . . . . . . 28 PHE HB2 . 27433 1 306 . 1 . 1 28 28 PHE HB3 H 1 3.040 0.000 . . . . . . . 28 PHE HB3 . 27433 1 307 . 1 . 1 28 28 PHE HD1 H 1 7.288 0.000 . . . . . . . 28 PHE QD . 27433 1 308 . 1 . 1 28 28 PHE HD2 H 1 7.288 0.000 . . . . . . . 28 PHE QD . 27433 1 309 . 1 . 1 28 28 PHE HE1 H 1 7.322 0.000 . . . . . . . 28 PHE QE . 27433 1 310 . 1 . 1 28 28 PHE HE2 H 1 7.322 0.000 . . . . . . . 28 PHE QE . 27433 1 311 . 1 . 1 28 28 PHE HZ H 1 7.288 0.000 . . . . . . . 28 PHE HZ . 27433 1 312 . 1 . 1 28 28 PHE C C 13 176.653 0.000 . . . . . . . 28 PHE C . 27433 1 313 . 1 . 1 28 28 PHE CA C 13 61.081 0.000 . . . . . . . 28 PHE CA . 27433 1 314 . 1 . 1 28 28 PHE CB C 13 38.906 0.000 . . . . . . . 28 PHE CB . 27433 1 315 . 1 . 1 28 28 PHE CD1 C 13 130.895 0.000 . . . . . . . 28 PHE CD1 . 27433 1 316 . 1 . 1 28 28 PHE CD2 C 13 130.895 0.000 . . . . . . . 28 PHE CD2 . 27433 1 317 . 1 . 1 28 28 PHE CE1 C 13 130.895 0.000 . . . . . . . 28 PHE CE1 . 27433 1 318 . 1 . 1 28 28 PHE CE2 C 13 130.895 0.000 . . . . . . . 28 PHE CE2 . 27433 1 319 . 1 . 1 28 28 PHE CZ C 13 130.895 0.000 . . . . . . . 28 PHE CZ . 27433 1 320 . 1 . 1 28 28 PHE N N 15 121.477 0.008 . . . . . . . 28 PHE N . 27433 1 321 . 1 . 1 29 29 ILE H H 1 8.165 0.000 . . . . . . . 29 ILE H . 27433 1 322 . 1 . 1 29 29 ILE HA H 1 4.193 0.000 . . . . . . . 29 ILE HA . 27433 1 323 . 1 . 1 29 29 ILE HB H 1 1.861 0.000 . . . . . . . 29 ILE HB . 27433 1 324 . 1 . 1 29 29 ILE HG12 H 1 1.233 0.000 . . . . . . . 29 ILE HG12 . 27433 1 325 . 1 . 1 29 29 ILE HG13 H 1 1.233 0.000 . . . . . . . 29 ILE HG13 . 27433 1 326 . 1 . 1 29 29 ILE HG21 H 1 0.641 0.000 . . . . . . . 29 ILE QG2 . 27433 1 327 . 1 . 1 29 29 ILE HG22 H 1 0.641 0.000 . . . . . . . 29 ILE QG2 . 27433 1 328 . 1 . 1 29 29 ILE HG23 H 1 0.641 0.000 . . . . . . . 29 ILE QG2 . 27433 1 329 . 1 . 1 29 29 ILE HD11 H 1 0.795 0.000 . . . . . . . 29 ILE QD1 . 27433 1 330 . 1 . 1 29 29 ILE HD12 H 1 0.795 0.000 . . . . . . . 29 ILE QD1 . 27433 1 331 . 1 . 1 29 29 ILE HD13 H 1 0.795 0.000 . . . . . . . 29 ILE QD1 . 27433 1 332 . 1 . 1 29 29 ILE CA C 13 58.880 0.000 . . . . . . . 29 ILE CA . 27433 1 333 . 1 . 1 29 29 ILE CB C 13 37.380 0.000 . . . . . . . 29 ILE CB . 27433 1 334 . 1 . 1 29 29 ILE CG1 C 13 26.700 0.000 . . . . . . . 29 ILE CG1 . 27433 1 335 . 1 . 1 29 29 ILE CG2 C 13 18.230 0.000 . . . . . . . 29 ILE CG2 . 27433 1 336 . 1 . 1 29 29 ILE CD1 C 13 13.000 0.000 . . . . . . . 29 ILE CD1 . 27433 1 337 . 1 . 1 29 29 ILE N N 15 118.309 0.000 . . . . . . . 29 ILE N . 27433 1 338 . 1 . 1 30 30 PRO HA H 1 4.451 0.000 . . . . . . . 30 PRO HA . 27433 1 339 . 1 . 1 30 30 PRO HB2 H 1 2.181 0.000 . . . . . . . 30 PRO HB2 . 27433 1 340 . 1 . 1 30 30 PRO HB3 H 1 1.968 0.000 . . . . . . . 30 PRO HB3 . 27433 1 341 . 1 . 1 30 30 PRO HG2 H 1 1.875 0.000 . . . . . . . 30 PRO HG2 . 27433 1 342 . 1 . 1 30 30 PRO HG3 H 1 1.875 0.000 . . . . . . . 30 PRO HG3 . 27433 1 343 . 1 . 1 30 30 PRO HD2 H 1 3.615 0.000 . . . . . . . 30 PRO HD2 . 27433 1 344 . 1 . 1 30 30 PRO HD3 H 1 3.615 0.000 . . . . . . . 30 PRO HD3 . 27433 1 345 . 1 . 1 30 30 PRO C C 13 175.434 0.000 . . . . . . . 30 PRO C . 27433 1 346 . 1 . 1 30 30 PRO CA C 13 62.680 0.000 . . . . . . . 30 PRO CA . 27433 1 347 . 1 . 1 30 30 PRO CB C 13 33.640 0.000 . . . . . . . 30 PRO CB . 27433 1 348 . 1 . 1 30 30 PRO CG C 13 27.150 0.000 . . . . . . . 30 PRO CG . 27433 1 349 . 1 . 1 30 30 PRO CD C 13 50.227 0.000 . . . . . . . 30 PRO CD . 27433 1 350 . 1 . 1 31 31 HIS H H 1 7.331 0.000 . . . . . . . 31 HIS H . 27433 1 351 . 1 . 1 31 31 HIS HA H 1 5.124 0.000 . . . . . . . 31 HIS HA . 27433 1 352 . 1 . 1 31 31 HIS HB2 H 1 2.807 0.000 . . . . . . . 31 HIS HB2 . 27433 1 353 . 1 . 1 31 31 HIS HB3 H 1 2.469 0.000 . . . . . . . 31 HIS HB3 . 27433 1 354 . 1 . 1 31 31 HIS HD2 H 1 7.109 0.000 . . . . . . . 31 HIS HD2 . 27433 1 355 . 1 . 1 31 31 HIS HE1 H 1 8.444 0.000 . . . . . . . 31 HIS HE1 . 27433 1 356 . 1 . 1 31 31 HIS C C 13 174.348 0.000 . . . . . . . 31 HIS C . 27433 1 357 . 1 . 1 31 31 HIS CA C 13 53.300 0.000 . . . . . . . 31 HIS CA . 27433 1 358 . 1 . 1 31 31 HIS CB C 13 31.004 0.000 . . . . . . . 31 HIS CB . 27433 1 359 . 1 . 1 31 31 HIS CD2 C 13 120.354 0.000 . . . . . . . 31 HIS CD2 . 27433 1 360 . 1 . 1 31 31 HIS CE1 C 13 137.366 0.000 . . . . . . . 31 HIS CE1 . 27433 1 361 . 1 . 1 31 31 HIS N N 15 114.334 0.001 . . . . . . . 31 HIS N . 27433 1 362 . 1 . 1 32 32 CYS H H 1 8.141 0.000 . . . . . . . 32 CYS H . 27433 1 363 . 1 . 1 32 32 CYS HA H 1 4.474 0.000 . . . . . . . 32 CYS HA . 27433 1 364 . 1 . 1 32 32 CYS HB2 H 1 2.650 0.000 . . . . . . . 32 CYS HB2 . 27433 1 365 . 1 . 1 32 32 CYS HB3 H 1 3.074 0.000 . . . . . . . 32 CYS HB3 . 27433 1 366 . 1 . 1 32 32 CYS C C 13 175.858 0.000 . . . . . . . 32 CYS C . 27433 1 367 . 1 . 1 32 32 CYS CA C 13 58.950 0.000 . . . . . . . 32 CYS CA . 27433 1 368 . 1 . 1 32 32 CYS CB C 13 41.913 0.000 . . . . . . . 32 CYS CB . 27433 1 369 . 1 . 1 32 32 CYS N N 15 117.757 0.007 . . . . . . . 32 CYS N . 27433 1 370 . 1 . 1 33 33 LYS H H 1 8.996 0.001 . . . . . . . 33 LYS H . 27433 1 371 . 1 . 1 33 33 LYS HA H 1 4.872 0.000 . . . . . . . 33 LYS HA . 27433 1 372 . 1 . 1 33 33 LYS HB2 H 1 1.560 0.000 . . . . . . . 33 LYS HB2 . 27433 1 373 . 1 . 1 33 33 LYS HB3 H 1 1.343 0.000 . . . . . . . 33 LYS HB3 . 27433 1 374 . 1 . 1 33 33 LYS HG2 H 1 1.373 0.000 . . . . . . . 33 LYS HG2 . 27433 1 375 . 1 . 1 33 33 LYS HG3 H 1 1.373 0.000 . . . . . . . 33 LYS HG3 . 27433 1 376 . 1 . 1 33 33 LYS HD2 H 1 1.644 0.000 . . . . . . . 33 LYS HD2 . 27433 1 377 . 1 . 1 33 33 LYS HD3 H 1 1.644 0.000 . . . . . . . 33 LYS HD3 . 27433 1 378 . 1 . 1 33 33 LYS HE2 H 1 3.041 0.000 . . . . . . . 33 LYS HE2 . 27433 1 379 . 1 . 1 33 33 LYS HE3 H 1 3.041 0.000 . . . . . . . 33 LYS HE3 . 27433 1 380 . 1 . 1 33 33 LYS C C 13 174.055 0.000 . . . . . . . 33 LYS C . 27433 1 381 . 1 . 1 33 33 LYS CA C 13 54.594 0.000 . . . . . . . 33 LYS CA . 27433 1 382 . 1 . 1 33 33 LYS CB C 13 36.687 0.000 . . . . . . . 33 LYS CB . 27433 1 383 . 1 . 1 33 33 LYS CG C 13 24.687 0.000 . . . . . . . 33 LYS CG . 27433 1 384 . 1 . 1 33 33 LYS CD C 13 29.356 0.000 . . . . . . . 33 LYS CD . 27433 1 385 . 1 . 1 33 33 LYS CE C 13 42.083 0.000 . . . . . . . 33 LYS CE . 27433 1 386 . 1 . 1 33 33 LYS N N 15 125.626 0.008 . . . . . . . 33 LYS N . 27433 1 387 . 1 . 1 34 34 LYS H H 1 8.778 0.000 . . . . . . . 34 LYS H . 27433 1 388 . 1 . 1 34 34 LYS HA H 1 4.249 0.000 . . . . . . . 34 LYS HA . 27433 1 389 . 1 . 1 34 34 LYS HB2 H 1 1.565 0.000 . . . . . . . 34 LYS HB2 . 27433 1 390 . 1 . 1 34 34 LYS HB3 H 1 1.674 0.000 . . . . . . . 34 LYS HB3 . 27433 1 391 . 1 . 1 34 34 LYS HG2 H 1 1.247 0.000 . . . . . . . 34 LYS HG2 . 27433 1 392 . 1 . 1 34 34 LYS HG3 H 1 1.247 0.000 . . . . . . . 34 LYS HG3 . 27433 1 393 . 1 . 1 34 34 LYS HD2 H 1 1.559 0.000 . . . . . . . 34 LYS HD2 . 27433 1 394 . 1 . 1 34 34 LYS HD3 H 1 1.559 0.000 . . . . . . . 34 LYS HD3 . 27433 1 395 . 1 . 1 34 34 LYS HE2 H 1 2.942 0.000 . . . . . . . 34 LYS HE2 . 27433 1 396 . 1 . 1 34 34 LYS HE3 H 1 2.883 0.000 . . . . . . . 34 LYS HE3 . 27433 1 397 . 1 . 1 34 34 LYS C C 13 177.776 0.000 . . . . . . . 34 LYS C . 27433 1 398 . 1 . 1 34 34 LYS CA C 13 56.290 0.000 . . . . . . . 34 LYS CA . 27433 1 399 . 1 . 1 34 34 LYS CB C 13 33.840 0.000 . . . . . . . 34 LYS CB . 27433 1 400 . 1 . 1 34 34 LYS CG C 13 25.660 0.000 . . . . . . . 34 LYS CG . 27433 1 401 . 1 . 1 34 34 LYS CD C 13 29.356 0.000 . . . . . . . 34 LYS CD . 27433 1 402 . 1 . 1 34 34 LYS CE C 13 41.973 0.000 . . . . . . . 34 LYS CE . 27433 1 403 . 1 . 1 34 34 LYS N N 15 123.578 0.000 . . . . . . . 34 LYS N . 27433 1 404 . 1 . 1 35 35 TYR H H 1 7.985 0.000 . . . . . . . 35 TYR H . 27433 1 405 . 1 . 1 35 35 TYR HA H 1 4.470 0.000 . . . . . . . 35 TYR HA . 27433 1 406 . 1 . 1 35 35 TYR HB2 H 1 2.870 0.000 . . . . . . . 35 TYR HB2 . 27433 1 407 . 1 . 1 35 35 TYR HB3 H 1 2.674 0.000 . . . . . . . 35 TYR HB3 . 27433 1 408 . 1 . 1 35 35 TYR HD1 H 1 6.766 0.000 . . . . . . . 35 TYR QD . 27433 1 409 . 1 . 1 35 35 TYR HD2 H 1 6.766 0.000 . . . . . . . 35 TYR QD . 27433 1 410 . 1 . 1 35 35 TYR HE1 H 1 6.516 0.000 . . . . . . . 35 TYR QE . 27433 1 411 . 1 . 1 35 35 TYR HE2 H 1 6.516 0.000 . . . . . . . 35 TYR QE . 27433 1 412 . 1 . 1 35 35 TYR C C 13 175.526 0.000 . . . . . . . 35 TYR C . 27433 1 413 . 1 . 1 35 35 TYR CA C 13 59.559 0.000 . . . . . . . 35 TYR CA . 27433 1 414 . 1 . 1 35 35 TYR CB C 13 39.460 0.000 . . . . . . . 35 TYR CB . 27433 1 415 . 1 . 1 35 35 TYR CD1 C 13 133.949 0.000 . . . . . . . 35 TYR CD1 . 27433 1 416 . 1 . 1 35 35 TYR CD2 C 13 133.949 0.000 . . . . . . . 35 TYR CD2 . 27433 1 417 . 1 . 1 35 35 TYR CE1 C 13 119.271 0.000 . . . . . . . 35 TYR CE1 . 27433 1 418 . 1 . 1 35 35 TYR CE2 C 13 119.271 0.000 . . . . . . . 35 TYR CE2 . 27433 1 419 . 1 . 1 35 35 TYR N N 15 123.132 0.007 . . . . . . . 35 TYR N . 27433 1 420 . 1 . 1 36 36 LYS H H 1 8.156 0.000 . . . . . . . 36 LYS H . 27433 1 421 . 1 . 1 36 36 LYS HA H 1 4.560 0.000 . . . . . . . 36 LYS HA . 27433 1 422 . 1 . 1 36 36 LYS HB2 H 1 1.703 0.000 . . . . . . . 36 LYS HB2 . 27433 1 423 . 1 . 1 36 36 LYS HB3 H 1 1.585 0.000 . . . . . . . 36 LYS HB3 . 27433 1 424 . 1 . 1 36 36 LYS HG2 H 1 1.380 0.000 . . . . . . . 36 LYS HG2 . 27433 1 425 . 1 . 1 36 36 LYS HG3 H 1 1.380 0.000 . . . . . . . 36 LYS HG3 . 27433 1 426 . 1 . 1 36 36 LYS HD2 H 1 1.647 0.000 . . . . . . . 36 LYS HD2 . 27433 1 427 . 1 . 1 36 36 LYS HD3 H 1 1.647 0.000 . . . . . . . 36 LYS HD3 . 27433 1 428 . 1 . 1 36 36 LYS HE2 H 1 2.990 0.000 . . . . . . . 36 LYS HE2 . 27433 1 429 . 1 . 1 36 36 LYS HE3 H 1 2.990 0.000 . . . . . . . 36 LYS HE3 . 27433 1 430 . 1 . 1 36 36 LYS CA C 13 53.595 0.000 . . . . . . . 36 LYS CA . 27433 1 431 . 1 . 1 36 36 LYS CB C 13 32.940 0.000 . . . . . . . 36 LYS CB . 27433 1 432 . 1 . 1 36 36 LYS CG C 13 24.484 0.000 . . . . . . . 36 LYS CG . 27433 1 433 . 1 . 1 36 36 LYS CD C 13 29.559 0.000 . . . . . . . 36 LYS CD . 27433 1 434 . 1 . 1 36 36 LYS CE C 13 42.500 0.000 . . . . . . . 36 LYS CE . 27433 1 435 . 1 . 1 36 36 LYS N N 15 122.435 0.001 . . . . . . . 36 LYS N . 27433 1 436 . 1 . 1 37 37 PRO HA H 1 4.286 0.000 . . . . . . . 37 PRO HA . 27433 1 437 . 1 . 1 37 37 PRO HB2 H 1 2.201 0.000 . . . . . . . 37 PRO HB2 . 27433 1 438 . 1 . 1 37 37 PRO HB3 H 1 2.242 0.000 . . . . . . . 37 PRO HB3 . 27433 1 439 . 1 . 1 37 37 PRO HG2 H 1 1.920 0.000 . . . . . . . 37 PRO HG2 . 27433 1 440 . 1 . 1 37 37 PRO HG3 H 1 1.920 0.000 . . . . . . . 37 PRO HG3 . 27433 1 441 . 1 . 1 37 37 PRO HD2 H 1 3.570 0.000 . . . . . . . 37 PRO HD2 . 27433 1 442 . 1 . 1 37 37 PRO HD3 H 1 3.570 0.000 . . . . . . . 37 PRO HD3 . 27433 1 443 . 1 . 1 37 37 PRO C C 13 176.324 0.000 . . . . . . . 37 PRO C . 27433 1 444 . 1 . 1 37 37 PRO CA C 13 63.023 0.000 . . . . . . . 37 PRO CA . 27433 1 445 . 1 . 1 37 37 PRO CB C 13 32.050 0.000 . . . . . . . 37 PRO CB . 27433 1 446 . 1 . 1 37 37 PRO CG C 13 27.680 0.000 . . . . . . . 37 PRO CG . 27433 1 447 . 1 . 1 37 37 PRO CD C 13 50.726 0.000 . . . . . . . 37 PRO CD . 27433 1 448 . 1 . 1 38 38 TYR H H 1 8.223 0.000 . . . . . . . 38 TYR H . 27433 1 449 . 1 . 1 38 38 TYR HA H 1 4.478 0.000 . . . . . . . 38 TYR HA . 27433 1 450 . 1 . 1 38 38 TYR HB2 H 1 3.008 0.000 . . . . . . . 38 TYR HB2 . 27433 1 451 . 1 . 1 38 38 TYR HB3 H 1 2.842 0.000 . . . . . . . 38 TYR HB3 . 27433 1 452 . 1 . 1 38 38 TYR HD1 H 1 7.047 0.000 . . . . . . . 38 TYR QD . 27433 1 453 . 1 . 1 38 38 TYR HD2 H 1 7.047 0.000 . . . . . . . 38 TYR QD . 27433 1 454 . 1 . 1 38 38 TYR HE1 H 1 6.765 0.000 . . . . . . . 38 TYR QE . 27433 1 455 . 1 . 1 38 38 TYR HE2 H 1 6.765 0.000 . . . . . . . 38 TYR QE . 27433 1 456 . 1 . 1 38 38 TYR C C 13 175.028 0.000 . . . . . . . 38 TYR C . 27433 1 457 . 1 . 1 38 38 TYR CA C 13 57.887 0.000 . . . . . . . 38 TYR CA . 27433 1 458 . 1 . 1 38 38 TYR CB C 13 38.650 0.000 . . . . . . . 38 TYR CB . 27433 1 459 . 1 . 1 38 38 TYR CD1 C 13 134.002 0.000 . . . . . . . 38 TYR CD1 . 27433 1 460 . 1 . 1 38 38 TYR CD2 C 13 134.002 0.000 . . . . . . . 38 TYR CD2 . 27433 1 461 . 1 . 1 38 38 TYR CE1 C 13 119.101 0.000 . . . . . . . 38 TYR CE1 . 27433 1 462 . 1 . 1 38 38 TYR CE2 C 13 119.101 0.000 . . . . . . . 38 TYR CE2 . 27433 1 463 . 1 . 1 38 38 TYR N N 15 120.843 0.008 . . . . . . . 38 TYR N . 27433 1 464 . 1 . 1 39 39 VAL H H 1 7.769 0.000 . . . . . . . 39 VAL H . 27433 1 465 . 1 . 1 39 39 VAL HA H 1 4.262 0.000 . . . . . . . 39 VAL HA . 27433 1 466 . 1 . 1 39 39 VAL HB H 1 1.884 0.000 . . . . . . . 39 VAL HB . 27433 1 467 . 1 . 1 39 39 VAL HG11 H 1 0.845 0.000 . . . . . . . 39 VAL QG1 . 27433 1 468 . 1 . 1 39 39 VAL HG12 H 1 0.845 0.000 . . . . . . . 39 VAL QG1 . 27433 1 469 . 1 . 1 39 39 VAL HG13 H 1 0.845 0.000 . . . . . . . 39 VAL QG1 . 27433 1 470 . 1 . 1 39 39 VAL HG21 H 1 0.814 0.000 . . . . . . . 39 VAL QG2 . 27433 1 471 . 1 . 1 39 39 VAL HG22 H 1 0.814 0.000 . . . . . . . 39 VAL QG2 . 27433 1 472 . 1 . 1 39 39 VAL HG23 H 1 0.814 0.000 . . . . . . . 39 VAL QG2 . 27433 1 473 . 1 . 1 39 39 VAL CA C 13 59.262 0.000 . . . . . . . 39 VAL CA . 27433 1 474 . 1 . 1 39 39 VAL CB C 13 33.040 0.000 . . . . . . . 39 VAL CB . 27433 1 475 . 1 . 1 39 39 VAL CG1 C 13 21.100 0.000 . . . . . . . 39 VAL CG1 . 27433 1 476 . 1 . 1 39 39 VAL CG2 C 13 20.430 0.000 . . . . . . . 39 VAL CG2 . 27433 1 477 . 1 . 1 39 39 VAL N N 15 126.086 0.001 . . . . . . . 39 VAL N . 27433 1 478 . 1 . 1 40 40 PRO HA H 1 4.282 0.000 . . . . . . . 40 PRO HA . 27433 1 479 . 1 . 1 40 40 PRO HB2 H 1 1.861 0.000 . . . . . . . 40 PRO HB2 . 27433 1 480 . 1 . 1 40 40 PRO HB3 H 1 1.760 0.000 . . . . . . . 40 PRO HB3 . 27433 1 481 . 1 . 1 40 40 PRO HG2 H 1 1.915 0.000 . . . . . . . 40 PRO HG2 . 27433 1 482 . 1 . 1 40 40 PRO HG3 H 1 1.915 0.000 . . . . . . . 40 PRO HG3 . 27433 1 483 . 1 . 1 40 40 PRO HD2 H 1 3.571 0.000 . . . . . . . 40 PRO HD2 . 27433 1 484 . 1 . 1 40 40 PRO HD3 H 1 3.571 0.000 . . . . . . . 40 PRO HD3 . 27433 1 485 . 1 . 1 40 40 PRO C C 13 176.715 0.000 . . . . . . . 40 PRO C . 27433 1 486 . 1 . 1 40 40 PRO CA C 13 62.600 0.000 . . . . . . . 40 PRO CA . 27433 1 487 . 1 . 1 40 40 PRO CB C 13 32.041 0.000 . . . . . . . 40 PRO CB . 27433 1 488 . 1 . 1 40 40 PRO CG C 13 26.894 0.000 . . . . . . . 40 PRO CG . 27433 1 489 . 1 . 1 40 40 PRO CD C 13 50.413 0.000 . . . . . . . 40 PRO CD . 27433 1 490 . 1 . 1 41 41 VAL H H 1 8.159 0.000 . . . . . . . 41 VAL H . 27433 1 491 . 1 . 1 41 41 VAL HA H 1 4.133 0.000 . . . . . . . 41 VAL HA . 27433 1 492 . 1 . 1 41 41 VAL HB H 1 2.066 0.000 . . . . . . . 41 VAL HB . 27433 1 493 . 1 . 1 41 41 VAL HG11 H 1 0.923 0.000 . . . . . . . 41 VAL QG1 . 27433 1 494 . 1 . 1 41 41 VAL HG12 H 1 0.923 0.000 . . . . . . . 41 VAL QG1 . 27433 1 495 . 1 . 1 41 41 VAL HG13 H 1 0.923 0.000 . . . . . . . 41 VAL QG1 . 27433 1 496 . 1 . 1 41 41 VAL HG21 H 1 0.939 0.000 . . . . . . . 41 VAL QG2 . 27433 1 497 . 1 . 1 41 41 VAL HG22 H 1 0.939 0.000 . . . . . . . 41 VAL QG2 . 27433 1 498 . 1 . 1 41 41 VAL HG23 H 1 0.939 0.000 . . . . . . . 41 VAL QG2 . 27433 1 499 . 1 . 1 41 41 VAL C C 13 176.576 0.000 . . . . . . . 41 VAL C . 27433 1 500 . 1 . 1 41 41 VAL CA C 13 62.340 0.000 . . . . . . . 41 VAL CA . 27433 1 501 . 1 . 1 41 41 VAL CB C 13 32.910 0.000 . . . . . . . 41 VAL CB . 27433 1 502 . 1 . 1 41 41 VAL CG1 C 13 21.300 0.000 . . . . . . . 41 VAL CG1 . 27433 1 503 . 1 . 1 41 41 VAL CG2 C 13 20.440 0.000 . . . . . . . 41 VAL CG2 . 27433 1 504 . 1 . 1 41 41 VAL N N 15 120.251 0.008 . . . . . . . 41 VAL N . 27433 1 505 . 1 . 1 42 42 THR H H 1 8.229 0.000 . . . . . . . 42 THR H . 27433 1 506 . 1 . 1 42 42 THR HA H 1 4.426 0.000 . . . . . . . 42 THR HA . 27433 1 507 . 1 . 1 42 42 THR HB H 1 4.197 0.000 . . . . . . . 42 THR HB . 27433 1 508 . 1 . 1 42 42 THR HG21 H 1 1.152 0.000 . . . . . . . 42 THR QG2 . 27433 1 509 . 1 . 1 42 42 THR HG22 H 1 1.152 0.000 . . . . . . . 42 THR QG2 . 27433 1 510 . 1 . 1 42 42 THR HG23 H 1 1.152 0.000 . . . . . . . 42 THR QG2 . 27433 1 511 . 1 . 1 42 42 THR C C 13 174.562 0.000 . . . . . . . 42 THR C . 27433 1 512 . 1 . 1 42 42 THR CA C 13 61.711 0.000 . . . . . . . 42 THR CA . 27433 1 513 . 1 . 1 42 42 THR CB C 13 69.860 0.000 . . . . . . . 42 THR CB . 27433 1 514 . 1 . 1 42 42 THR CG2 C 13 21.540 0.000 . . . . . . . 42 THR CG2 . 27433 1 515 . 1 . 1 42 42 THR N N 15 117.854 0.000 . . . . . . . 42 THR N . 27433 1 516 . 1 . 1 43 43 THR H H 1 8.167 0.000 . . . . . . . 43 THR H . 27433 1 517 . 1 . 1 43 43 THR HA H 1 4.352 0.000 . . . . . . . 43 THR HA . 27433 1 518 . 1 . 1 43 43 THR HB H 1 4.196 0.000 . . . . . . . 43 THR HB . 27433 1 519 . 1 . 1 43 43 THR HG21 H 1 1.151 0.000 . . . . . . . 43 THR QG2 . 27433 1 520 . 1 . 1 43 43 THR HG22 H 1 1.151 0.000 . . . . . . . 43 THR QG2 . 27433 1 521 . 1 . 1 43 43 THR HG23 H 1 1.151 0.000 . . . . . . . 43 THR QG2 . 27433 1 522 . 1 . 1 43 43 THR C C 13 174.286 0.000 . . . . . . . 43 THR C . 27433 1 523 . 1 . 1 43 43 THR CA C 13 61.683 0.014 . . . . . . . 43 THR CA . 27433 1 524 . 1 . 1 43 43 THR CB C 13 69.870 0.000 . . . . . . . 43 THR CB . 27433 1 525 . 1 . 1 43 43 THR CG2 C 13 21.380 0.000 . . . . . . . 43 THR CG2 . 27433 1 526 . 1 . 1 43 43 THR N N 15 116.191 0.001 . . . . . . . 43 THR N . 27433 1 527 . 1 . 1 44 44 SER H H 1 8.224 0.000 . . . . . . . 44 SER H . 27433 1 528 . 1 . 1 44 44 SER HA H 1 4.424 0.000 . . . . . . . 44 SER HA . 27433 1 529 . 1 . 1 44 44 SER HB2 H 1 3.768 0.000 . . . . . . . 44 SER HB2 . 27433 1 530 . 1 . 1 44 44 SER HB3 H 1 3.768 0.000 . . . . . . . 44 SER HB3 . 27433 1 531 . 1 . 1 44 44 SER C C 13 173.945 0.000 . . . . . . . 44 SER C . 27433 1 532 . 1 . 1 44 44 SER CA C 13 58.217 0.000 . . . . . . . 44 SER CA . 27433 1 533 . 1 . 1 44 44 SER CB C 13 63.866 0.000 . . . . . . . 44 SER CB . 27433 1 534 . 1 . 1 44 44 SER N N 15 117.627 0.004 . . . . . . . 44 SER N . 27433 1 535 . 1 . 1 45 45 PHE H H 1 8.224 0.000 . . . . . . . 45 PHE H . 27433 1 536 . 1 . 1 45 45 PHE HA H 1 4.646 0.000 . . . . . . . 45 PHE HA . 27433 1 537 . 1 . 1 45 45 PHE HB2 H 1 3.165 0.001 . . . . . . . 45 PHE HB2 . 27433 1 538 . 1 . 1 45 45 PHE HB3 H 1 2.994 0.000 . . . . . . . 45 PHE HB3 . 27433 1 539 . 1 . 1 45 45 PHE HD1 H 1 7.249 0.000 . . . . . . . 45 PHE QD . 27433 1 540 . 1 . 1 45 45 PHE HD2 H 1 7.249 0.000 . . . . . . . 45 PHE QD . 27433 1 541 . 1 . 1 45 45 PHE HE1 H 1 7.322 0.000 . . . . . . . 45 PHE QE . 27433 1 542 . 1 . 1 45 45 PHE HE2 H 1 7.322 0.000 . . . . . . . 45 PHE QE . 27433 1 543 . 1 . 1 45 45 PHE HZ H 1 7.249 0.000 . . . . . . . 45 PHE HZ . 27433 1 544 . 1 . 1 45 45 PHE C C 13 175.395 0.000 . . . . . . . 45 PHE C . 27433 1 545 . 1 . 1 45 45 PHE CA C 13 57.696 0.000 . . . . . . . 45 PHE CA . 27433 1 546 . 1 . 1 45 45 PHE CB C 13 39.620 0.000 . . . . . . . 45 PHE CB . 27433 1 547 . 1 . 1 45 45 PHE CD1 C 13 132.908 0.004 . . . . . . . 45 PHE CD1 . 27433 1 548 . 1 . 1 45 45 PHE CD2 C 13 132.908 0.000 . . . . . . . 45 PHE CD2 . 27433 1 549 . 1 . 1 45 45 PHE CE1 C 13 132.906 0.002 . . . . . . . 45 PHE CE1 . 27433 1 550 . 1 . 1 45 45 PHE CE2 C 13 132.906 0.000 . . . . . . . 45 PHE CE2 . 27433 1 551 . 1 . 1 45 45 PHE CZ C 13 132.914 0.000 . . . . . . . 45 PHE CZ . 27433 1 552 . 1 . 1 45 45 PHE N N 15 121.712 0.003 . . . . . . . 45 PHE N . 27433 1 553 . 1 . 1 46 46 ASN H H 1 8.349 0.000 . . . . . . . 46 ASN H . 27433 1 554 . 1 . 1 46 46 ASN HA H 1 4.730 0.000 . . . . . . . 46 ASN HA . 27433 1 555 . 1 . 1 46 46 ASN HB2 H 1 2.772 0.000 . . . . . . . 46 ASN HB2 . 27433 1 556 . 1 . 1 46 46 ASN HB3 H 1 2.678 0.000 . . . . . . . 46 ASN HB3 . 27433 1 557 . 1 . 1 46 46 ASN HD21 H 1 7.567 0.000 . . . . . . . 46 ASN HD21 . 27433 1 558 . 1 . 1 46 46 ASN HD22 H 1 6.903 0.001 . . . . . . . 46 ASN HD22 . 27433 1 559 . 1 . 1 46 46 ASN C C 13 174.061 0.000 . . . . . . . 46 ASN C . 27433 1 560 . 1 . 1 46 46 ASN CA C 13 52.923 0.000 . . . . . . . 46 ASN CA . 27433 1 561 . 1 . 1 46 46 ASN CB C 13 38.928 0.000 . . . . . . . 46 ASN CB . 27433 1 562 . 1 . 1 46 46 ASN N N 15 120.550 0.006 . . . . . . . 46 ASN N . 27433 1 563 . 1 . 1 46 46 ASN ND2 N 15 112.841 0.000 . . . . . . . 46 ASN ND2 . 27433 1 564 . 1 . 1 47 47 CYS H H 1 7.970 0.000 . . . . . . . 47 CYS H . 27433 1 565 . 1 . 1 47 47 CYS HA H 1 4.812 0.000 . . . . . . . 47 CYS HA . 27433 1 566 . 1 . 1 47 47 CYS HB2 H 1 3.087 0.000 . . . . . . . 47 CYS HB2 . 27433 1 567 . 1 . 1 47 47 CYS HB3 H 1 2.992 0.000 . . . . . . . 47 CYS HB3 . 27433 1 568 . 1 . 1 47 47 CYS C C 13 172.342 0.000 . . . . . . . 47 CYS C . 27433 1 569 . 1 . 1 47 47 CYS CA C 13 54.242 0.000 . . . . . . . 47 CYS CA . 27433 1 570 . 1 . 1 47 47 CYS CB C 13 42.921 0.000 . . . . . . . 47 CYS CB . 27433 1 571 . 1 . 1 47 47 CYS N N 15 116.724 0.001 . . . . . . . 47 CYS N . 27433 1 572 . 1 . 1 48 48 ALA H H 1 8.960 0.000 . . . . . . . 48 ALA H . 27433 1 573 . 1 . 1 48 48 ALA HA H 1 4.434 0.000 . . . . . . . 48 ALA HA . 27433 1 574 . 1 . 1 48 48 ALA HB1 H 1 1.252 0.000 . . . . . . . 48 ALA QB . 27433 1 575 . 1 . 1 48 48 ALA HB2 H 1 1.252 0.000 . . . . . . . 48 ALA QB . 27433 1 576 . 1 . 1 48 48 ALA HB3 H 1 1.252 0.000 . . . . . . . 48 ALA QB . 27433 1 577 . 1 . 1 48 48 ALA C C 13 174.127 0.000 . . . . . . . 48 ALA C . 27433 1 578 . 1 . 1 48 48 ALA CA C 13 51.995 0.000 . . . . . . . 48 ALA CA . 27433 1 579 . 1 . 1 48 48 ALA CB C 13 19.956 0.000 . . . . . . . 48 ALA CB . 27433 1 580 . 1 . 1 48 48 ALA N N 15 125.734 0.005 . . . . . . . 48 ALA N . 27433 1 581 . 1 . 1 49 49 LYS H H 1 8.429 0.000 . . . . . . . 49 LYS H . 27433 1 582 . 1 . 1 49 49 LYS HA H 1 4.045 0.000 . . . . . . . 49 LYS HA . 27433 1 583 . 1 . 1 49 49 LYS HB2 H 1 1.923 0.000 . . . . . . . 49 LYS HB2 . 27433 1 584 . 1 . 1 49 49 LYS HB3 H 1 1.458 0.000 . . . . . . . 49 LYS HB3 . 27433 1 585 . 1 . 1 49 49 LYS HG2 H 1 1.386 0.000 . . . . . . . 49 LYS HG2 . 27433 1 586 . 1 . 1 49 49 LYS HG3 H 1 1.571 0.000 . . . . . . . 49 LYS HG3 . 27433 1 587 . 1 . 1 49 49 LYS HD2 H 1 1.649 0.000 . . . . . . . 49 LYS HD2 . 27433 1 588 . 1 . 1 49 49 LYS HD3 H 1 1.649 0.000 . . . . . . . 49 LYS HD3 . 27433 1 589 . 1 . 1 49 49 LYS HE2 H 1 2.972 0.000 . . . . . . . 49 LYS HE2 . 27433 1 590 . 1 . 1 49 49 LYS HE3 H 1 2.972 0.000 . . . . . . . 49 LYS HE3 . 27433 1 591 . 1 . 1 49 49 LYS C C 13 175.349 0.000 . . . . . . . 49 LYS C . 27433 1 592 . 1 . 1 49 49 LYS CA C 13 54.643 0.000 . . . . . . . 49 LYS CA . 27433 1 593 . 1 . 1 49 49 LYS CB C 13 33.857 0.000 . . . . . . . 49 LYS CB . 27433 1 594 . 1 . 1 49 49 LYS CG C 13 25.520 0.000 . . . . . . . 49 LYS CG . 27433 1 595 . 1 . 1 49 49 LYS CD C 13 29.263 0.000 . . . . . . . 49 LYS CD . 27433 1 596 . 1 . 1 49 49 LYS CE C 13 42.193 0.000 . . . . . . . 49 LYS CE . 27433 1 597 . 1 . 1 49 49 LYS N N 15 122.733 0.001 . . . . . . . 49 LYS N . 27433 1 598 . 1 . 1 50 50 GLU H H 1 8.335 0.000 . . . . . . . 50 GLU H . 27433 1 599 . 1 . 1 50 50 GLU HA H 1 3.468 0.000 . . . . . . . 50 GLU HA . 27433 1 600 . 1 . 1 50 50 GLU HB2 H 1 1.863 0.000 . . . . . . . 50 GLU HB2 . 27433 1 601 . 1 . 1 50 50 GLU HB3 H 1 1.863 0.000 . . . . . . . 50 GLU HB3 . 27433 1 602 . 1 . 1 50 50 GLU HG2 H 1 2.224 0.000 . . . . . . . 50 GLU HG2 . 27433 1 603 . 1 . 1 50 50 GLU HG3 H 1 2.120 0.000 . . . . . . . 50 GLU HG3 . 27433 1 604 . 1 . 1 50 50 GLU C C 13 177.595 0.000 . . . . . . . 50 GLU C . 27433 1 605 . 1 . 1 50 50 GLU CA C 13 58.624 0.000 . . . . . . . 50 GLU CA . 27433 1 606 . 1 . 1 50 50 GLU CB C 13 29.465 0.000 . . . . . . . 50 GLU CB . 27433 1 607 . 1 . 1 50 50 GLU CG C 13 36.000 0.000 . . . . . . . 50 GLU CG . 27433 1 608 . 1 . 1 50 50 GLU N N 15 119.807 0.002 . . . . . . . 50 GLU N . 27433 1 609 . 1 . 1 51 51 GLY H H 1 9.011 0.000 . . . . . . . 51 GLY H . 27433 1 610 . 1 . 1 51 51 GLY HA2 H 1 4.211 0.000 . . . . . . . 51 GLY HA2 . 27433 1 611 . 1 . 1 51 51 GLY HA3 H 1 3.583 0.000 . . . . . . . 51 GLY HA3 . 27433 1 612 . 1 . 1 51 51 GLY C C 13 173.402 0.000 . . . . . . . 51 GLY C . 27433 1 613 . 1 . 1 51 51 GLY CA C 13 45.607 0.000 . . . . . . . 51 GLY CA . 27433 1 614 . 1 . 1 51 51 GLY N N 15 113.078 0.000 . . . . . . . 51 GLY N . 27433 1 615 . 1 . 1 52 52 GLU H H 1 8.159 0.000 . . . . . . . 52 GLU H . 27433 1 616 . 1 . 1 52 52 GLU HA H 1 4.623 0.000 . . . . . . . 52 GLU HA . 27433 1 617 . 1 . 1 52 52 GLU HB2 H 1 2.011 0.000 . . . . . . . 52 GLU HB2 . 27433 1 618 . 1 . 1 52 52 GLU HB3 H 1 2.334 0.000 . . . . . . . 52 GLU HB3 . 27433 1 619 . 1 . 1 52 52 GLU HG2 H 1 2.156 0.000 . . . . . . . 52 GLU HG2 . 27433 1 620 . 1 . 1 52 52 GLU HG3 H 1 2.070 0.000 . . . . . . . 52 GLU HG3 . 27433 1 621 . 1 . 1 52 52 GLU C C 13 175.720 0.000 . . . . . . . 52 GLU C . 27433 1 622 . 1 . 1 52 52 GLU CA C 13 55.235 0.000 . . . . . . . 52 GLU CA . 27433 1 623 . 1 . 1 52 52 GLU CB C 13 30.783 0.000 . . . . . . . 52 GLU CB . 27433 1 624 . 1 . 1 52 52 GLU CG C 13 37.620 0.000 . . . . . . . 52 GLU CG . 27433 1 625 . 1 . 1 52 52 GLU N N 15 119.825 0.002 . . . . . . . 52 GLU N . 27433 1 626 . 1 . 1 53 53 VAL H H 1 8.241 0.000 . . . . . . . 53 VAL H . 27433 1 627 . 1 . 1 53 53 VAL HA H 1 4.282 0.000 . . . . . . . 53 VAL HA . 27433 1 628 . 1 . 1 53 53 VAL HB H 1 1.863 0.000 . . . . . . . 53 VAL HB . 27433 1 629 . 1 . 1 53 53 VAL HG11 H 1 0.844 0.000 . . . . . . . 53 VAL QG1 . 27433 1 630 . 1 . 1 53 53 VAL HG12 H 1 0.844 0.000 . . . . . . . 53 VAL QG1 . 27433 1 631 . 1 . 1 53 53 VAL HG13 H 1 0.844 0.000 . . . . . . . 53 VAL QG1 . 27433 1 632 . 1 . 1 53 53 VAL HG21 H 1 0.857 0.000 . . . . . . . 53 VAL QG2 . 27433 1 633 . 1 . 1 53 53 VAL HG22 H 1 0.857 0.000 . . . . . . . 53 VAL QG2 . 27433 1 634 . 1 . 1 53 53 VAL HG23 H 1 0.857 0.000 . . . . . . . 53 VAL QG2 . 27433 1 635 . 1 . 1 53 53 VAL C C 13 175.229 0.000 . . . . . . . 53 VAL C . 27433 1 636 . 1 . 1 53 53 VAL CA C 13 62.980 0.000 . . . . . . . 53 VAL CA . 27433 1 637 . 1 . 1 53 53 VAL CB C 13 32.270 0.000 . . . . . . . 53 VAL CB . 27433 1 638 . 1 . 1 53 53 VAL CG1 C 13 21.360 0.000 . . . . . . . 53 VAL CG1 . 27433 1 639 . 1 . 1 53 53 VAL CG2 C 13 21.990 0.000 . . . . . . . 53 VAL CG2 . 27433 1 640 . 1 . 1 53 53 VAL N N 15 120.481 0.002 . . . . . . . 53 VAL N . 27433 1 641 . 1 . 1 54 54 CYS H H 1 7.998 0.000 . . . . . . . 54 CYS H . 27433 1 642 . 1 . 1 54 54 CYS HA H 1 5.099 0.001 . . . . . . . 54 CYS HA . 27433 1 643 . 1 . 1 54 54 CYS HB2 H 1 3.346 0.000 . . . . . . . 54 CYS HB2 . 27433 1 644 . 1 . 1 54 54 CYS HB3 H 1 3.268 0.000 . . . . . . . 54 CYS HB3 . 27433 1 645 . 1 . 1 54 54 CYS C C 13 173.108 0.000 . . . . . . . 54 CYS C . 27433 1 646 . 1 . 1 54 54 CYS CA C 13 53.189 0.000 . . . . . . . 54 CYS CA . 27433 1 647 . 1 . 1 54 54 CYS CB C 13 48.570 0.000 . . . . . . . 54 CYS CB . 27433 1 648 . 1 . 1 54 54 CYS N N 15 120.177 0.006 . . . . . . . 54 CYS N . 27433 1 649 . 1 . 1 55 55 GLY H H 1 7.899 0.000 . . . . . . . 55 GLY H . 27433 1 650 . 1 . 1 55 55 GLY HA2 H 1 4.032 0.000 . . . . . . . 55 GLY HA2 . 27433 1 651 . 1 . 1 55 55 GLY HA3 H 1 3.744 0.000 . . . . . . . 55 GLY HA3 . 27433 1 652 . 1 . 1 55 55 GLY C C 13 174.255 0.000 . . . . . . . 55 GLY C . 27433 1 653 . 1 . 1 55 55 GLY CA C 13 44.817 0.000 . . . . . . . 55 GLY CA . 27433 1 654 . 1 . 1 55 55 GLY N N 15 106.286 0.001 . . . . . . . 55 GLY N . 27433 1 655 . 1 . 1 56 56 TRP H H 1 8.514 0.000 . . . . . . . 56 TRP H . 27433 1 656 . 1 . 1 56 56 TRP HA H 1 4.347 0.000 . . . . . . . 56 TRP HA . 27433 1 657 . 1 . 1 56 56 TRP HB2 H 1 3.291 0.000 . . . . . . . 56 TRP HB2 . 27433 1 658 . 1 . 1 56 56 TRP HB3 H 1 3.163 0.000 . . . . . . . 56 TRP HB3 . 27433 1 659 . 1 . 1 56 56 TRP HD1 H 1 7.222 0.001 . . . . . . . 56 TRP HD1 . 27433 1 660 . 1 . 1 56 56 TRP HE1 H 1 10.083 0.000 . . . . . . . 56 TRP HE1 . 27433 1 661 . 1 . 1 56 56 TRP HE3 H 1 7.565 0.000 . . . . . . . 56 TRP HE3 . 27433 1 662 . 1 . 1 56 56 TRP HZ2 H 1 7.336 0.000 . . . . . . . 56 TRP HZ2 . 27433 1 663 . 1 . 1 56 56 TRP HZ3 H 1 7.140 0.000 . . . . . . . 56 TRP HZ3 . 27433 1 664 . 1 . 1 56 56 TRP HH2 H 1 7.197 0.000 . . . . . . . 56 TRP HH2 . 27433 1 665 . 1 . 1 56 56 TRP C C 13 176.949 0.000 . . . . . . . 56 TRP C . 27433 1 666 . 1 . 1 56 56 TRP CA C 13 58.897 0.000 . . . . . . . 56 TRP CA . 27433 1 667 . 1 . 1 56 56 TRP CB C 13 27.880 0.000 . . . . . . . 56 TRP CB . 27433 1 668 . 1 . 1 56 56 TRP CD1 C 13 128.131 0.000 . . . . . . . 56 TRP CD1 . 27433 1 669 . 1 . 1 56 56 TRP CE3 C 13 121.767 0.000 . . . . . . . 56 TRP CE3 . 27433 1 670 . 1 . 1 56 56 TRP CZ2 C 13 115.540 0.000 . . . . . . . 56 TRP CZ2 . 27433 1 671 . 1 . 1 56 56 TRP CZ3 C 13 123.119 0.000 . . . . . . . 56 TRP CZ3 . 27433 1 672 . 1 . 1 56 56 TRP CH2 C 13 125.395 0.000 . . . . . . . 56 TRP CH2 . 27433 1 673 . 1 . 1 56 56 TRP N N 15 121.620 0.003 . . . . . . . 56 TRP N . 27433 1 674 . 1 . 1 56 56 TRP NE1 N 15 129.109 0.009 . . . . . . . 56 TRP NE1 . 27433 1 675 . 1 . 1 57 57 GLY H H 1 8.368 0.000 . . . . . . . 57 GLY H . 27433 1 676 . 1 . 1 57 57 GLY HA2 H 1 4.000 0.000 . . . . . . . 57 GLY HA2 . 27433 1 677 . 1 . 1 57 57 GLY HA3 H 1 3.627 0.000 . . . . . . . 57 GLY HA3 . 27433 1 678 . 1 . 1 57 57 GLY C C 13 174.250 0.000 . . . . . . . 57 GLY C . 27433 1 679 . 1 . 1 57 57 GLY CA C 13 45.206 0.000 . . . . . . . 57 GLY CA . 27433 1 680 . 1 . 1 57 57 GLY N N 15 108.765 0.004 . . . . . . . 57 GLY N . 27433 1 681 . 1 . 1 58 58 SER H H 1 7.720 0.000 . . . . . . . 58 SER H . 27433 1 682 . 1 . 1 58 58 SER HA H 1 4.649 0.000 . . . . . . . 58 SER HA . 27433 1 683 . 1 . 1 58 58 SER HB2 H 1 3.763 0.000 . . . . . . . 58 SER HB2 . 27433 1 684 . 1 . 1 58 58 SER HB3 H 1 3.637 0.000 . . . . . . . 58 SER HB3 . 27433 1 685 . 1 . 1 58 58 SER C C 13 173.035 0.000 . . . . . . . 58 SER C . 27433 1 686 . 1 . 1 58 58 SER CA C 13 57.285 0.000 . . . . . . . 58 SER CA . 27433 1 687 . 1 . 1 58 58 SER CB C 13 64.201 0.000 . . . . . . . 58 SER CB . 27433 1 688 . 1 . 1 58 58 SER N N 15 116.740 0.002 . . . . . . . 58 SER N . 27433 1 689 . 1 . 1 59 59 LYS H H 1 8.506 0.000 . . . . . . . 59 LYS H . 27433 1 690 . 1 . 1 59 59 LYS HA H 1 4.527 0.000 . . . . . . . 59 LYS HA . 27433 1 691 . 1 . 1 59 59 LYS HB2 H 1 1.830 0.000 . . . . . . . 59 LYS HB2 . 27433 1 692 . 1 . 1 59 59 LYS HB3 H 1 1.689 0.000 . . . . . . . 59 LYS HB3 . 27433 1 693 . 1 . 1 59 59 LYS HG2 H 1 1.431 0.000 . . . . . . . 59 LYS HG2 . 27433 1 694 . 1 . 1 59 59 LYS HG3 H 1 1.431 0.000 . . . . . . . 59 LYS HG3 . 27433 1 695 . 1 . 1 59 59 LYS HD2 H 1 1.646 0.000 . . . . . . . 59 LYS HD2 . 27433 1 696 . 1 . 1 59 59 LYS HD3 H 1 1.646 0.000 . . . . . . . 59 LYS HD3 . 27433 1 697 . 1 . 1 59 59 LYS HE2 H 1 2.974 0.000 . . . . . . . 59 LYS HE2 . 27433 1 698 . 1 . 1 59 59 LYS HE3 H 1 2.974 0.000 . . . . . . . 59 LYS HE3 . 27433 1 699 . 1 . 1 59 59 LYS C C 13 176.944 0.000 . . . . . . . 59 LYS C . 27433 1 700 . 1 . 1 59 59 LYS CA C 13 54.866 0.000 . . . . . . . 59 LYS CA . 27433 1 701 . 1 . 1 59 59 LYS CB C 13 33.857 0.000 . . . . . . . 59 LYS CB . 27433 1 702 . 1 . 1 59 59 LYS CG C 13 24.687 0.000 . . . . . . . 59 LYS CG . 27433 1 703 . 1 . 1 59 59 LYS CD C 13 28.950 0.000 . . . . . . . 59 LYS CD . 27433 1 704 . 1 . 1 59 59 LYS CE C 13 42.320 0.000 . . . . . . . 59 LYS CE . 27433 1 705 . 1 . 1 59 59 LYS N N 15 124.409 0.000 . . . . . . . 59 LYS N . 27433 1 706 . 1 . 1 60 60 CYS H H 1 9.117 0.000 . . . . . . . 60 CYS H . 27433 1 707 . 1 . 1 60 60 CYS HA H 1 5.101 0.000 . . . . . . . 60 CYS HA . 27433 1 708 . 1 . 1 60 60 CYS HB2 H 1 3.153 0.000 . . . . . . . 60 CYS HB2 . 27433 1 709 . 1 . 1 60 60 CYS HB3 H 1 2.533 0.000 . . . . . . . 60 CYS HB3 . 27433 1 710 . 1 . 1 60 60 CYS C C 13 176.360 0.000 . . . . . . . 60 CYS C . 27433 1 711 . 1 . 1 60 60 CYS CA C 13 55.856 0.000 . . . . . . . 60 CYS CA . 27433 1 712 . 1 . 1 60 60 CYS CB C 13 40.754 0.000 . . . . . . . 60 CYS CB . 27433 1 713 . 1 . 1 60 60 CYS N N 15 120.520 0.002 . . . . . . . 60 CYS N . 27433 1 714 . 1 . 1 61 61 CYS H H 1 9.581 0.000 . . . . . . . 61 CYS H . 27433 1 715 . 1 . 1 61 61 CYS HA H 1 4.510 0.000 . . . . . . . 61 CYS HA . 27433 1 716 . 1 . 1 61 61 CYS HB2 H 1 3.392 0.000 . . . . . . . 61 CYS HB2 . 27433 1 717 . 1 . 1 61 61 CYS HB3 H 1 2.546 0.000 . . . . . . . 61 CYS HB3 . 27433 1 718 . 1 . 1 61 61 CYS C C 13 172.461 0.000 . . . . . . . 61 CYS C . 27433 1 719 . 1 . 1 61 61 CYS CA C 13 54.240 0.000 . . . . . . . 61 CYS CA . 27433 1 720 . 1 . 1 61 61 CYS CB C 13 40.460 0.000 . . . . . . . 61 CYS CB . 27433 1 721 . 1 . 1 61 61 CYS N N 15 121.745 0.002 . . . . . . . 61 CYS N . 27433 1 722 . 1 . 1 62 62 HIS H H 1 8.460 0.000 . . . . . . . 62 HIS H . 27433 1 723 . 1 . 1 62 62 HIS HA H 1 4.346 0.000 . . . . . . . 62 HIS HA . 27433 1 724 . 1 . 1 62 62 HIS HB2 H 1 3.235 0.000 . . . . . . . 62 HIS HB2 . 27433 1 725 . 1 . 1 62 62 HIS HB3 H 1 3.070 0.000 . . . . . . . 62 HIS HB3 . 27433 1 726 . 1 . 1 62 62 HIS HD2 H 1 7.244 0.000 . . . . . . . 62 HIS HD2 . 27433 1 727 . 1 . 1 62 62 HIS HE1 H 1 8.335 0.000 . . . . . . . 62 HIS HE1 . 27433 1 728 . 1 . 1 62 62 HIS C C 13 175.622 0.000 . . . . . . . 62 HIS C . 27433 1 729 . 1 . 1 62 62 HIS CA C 13 58.282 0.000 . . . . . . . 62 HIS CA . 27433 1 730 . 1 . 1 62 62 HIS CB C 13 29.250 0.000 . . . . . . . 62 HIS CB . 27433 1 731 . 1 . 1 62 62 HIS CD2 C 13 121.122 0.000 . . . . . . . 62 HIS CD2 . 27433 1 732 . 1 . 1 62 62 HIS CE1 C 13 138.367 0.000 . . . . . . . 62 HIS CE1 . 27433 1 733 . 1 . 1 62 62 HIS N N 15 117.481 0.005 . . . . . . . 62 HIS N . 27433 1 734 . 1 . 1 63 63 GLY H H 1 8.613 0.001 . . . . . . . 63 GLY H . 27433 1 735 . 1 . 1 63 63 GLY HA2 H 1 4.154 0.000 . . . . . . . 63 GLY HA2 . 27433 1 736 . 1 . 1 63 63 GLY HA3 H 1 3.438 0.000 . . . . . . . 63 GLY HA3 . 27433 1 737 . 1 . 1 63 63 GLY C C 13 173.046 0.000 . . . . . . . 63 GLY C . 27433 1 738 . 1 . 1 63 63 GLY CA C 13 44.733 0.000 . . . . . . . 63 GLY CA . 27433 1 739 . 1 . 1 63 63 GLY N N 15 113.378 0.002 . . . . . . . 63 GLY N . 27433 1 740 . 1 . 1 64 64 LEU H H 1 7.632 0.000 . . . . . . . 64 LEU H . 27433 1 741 . 1 . 1 64 64 LEU HA H 1 4.867 0.000 . . . . . . . 64 LEU HA . 27433 1 742 . 1 . 1 64 64 LEU HB2 H 1 2.090 0.000 . . . . . . . 64 LEU HB2 . 27433 1 743 . 1 . 1 64 64 LEU HB3 H 1 1.156 0.000 . . . . . . . 64 LEU HB3 . 27433 1 744 . 1 . 1 64 64 LEU HG H 1 1.324 0.000 . . . . . . . 64 LEU HG . 27433 1 745 . 1 . 1 64 64 LEU HD11 H 1 0.621 0.000 . . . . . . . 64 LEU QD1 . 27433 1 746 . 1 . 1 64 64 LEU HD12 H 1 0.621 0.000 . . . . . . . 64 LEU QD1 . 27433 1 747 . 1 . 1 64 64 LEU HD13 H 1 0.621 0.000 . . . . . . . 64 LEU QD1 . 27433 1 748 . 1 . 1 64 64 LEU HD21 H 1 0.807 0.000 . . . . . . . 64 LEU QD2 . 27433 1 749 . 1 . 1 64 64 LEU HD22 H 1 0.807 0.000 . . . . . . . 64 LEU QD2 . 27433 1 750 . 1 . 1 64 64 LEU HD23 H 1 0.807 0.000 . . . . . . . 64 LEU QD2 . 27433 1 751 . 1 . 1 64 64 LEU C C 13 174.825 0.000 . . . . . . . 64 LEU C . 27433 1 752 . 1 . 1 64 64 LEU CA C 13 52.853 0.000 . . . . . . . 64 LEU CA . 27433 1 753 . 1 . 1 64 64 LEU CB C 13 44.711 0.000 . . . . . . . 64 LEU CB . 27433 1 754 . 1 . 1 64 64 LEU CG C 13 26.600 0.000 . . . . . . . 64 LEU CG . 27433 1 755 . 1 . 1 64 64 LEU CD1 C 13 23.371 0.000 . . . . . . . 64 LEU CD1 . 27433 1 756 . 1 . 1 64 64 LEU CD2 C 13 26.797 0.000 . . . . . . . 64 LEU CD2 . 27433 1 757 . 1 . 1 64 64 LEU N N 15 119.834 0.003 . . . . . . . 64 LEU N . 27433 1 758 . 1 . 1 65 65 ASP H H 1 9.289 0.000 . . . . . . . 65 ASP H . 27433 1 759 . 1 . 1 65 65 ASP HA H 1 4.813 0.000 . . . . . . . 65 ASP HA . 27433 1 760 . 1 . 1 65 65 ASP HB2 H 1 2.348 0.000 . . . . . . . 65 ASP HB2 . 27433 1 761 . 1 . 1 65 65 ASP HB3 H 1 2.143 0.000 . . . . . . . 65 ASP HB3 . 27433 1 762 . 1 . 1 65 65 ASP C C 13 173.696 0.000 . . . . . . . 65 ASP C . 27433 1 763 . 1 . 1 65 65 ASP CA C 13 52.570 0.000 . . . . . . . 65 ASP CA . 27433 1 764 . 1 . 1 65 65 ASP CB C 13 44.861 0.000 . . . . . . . 65 ASP CB . 27433 1 765 . 1 . 1 65 65 ASP N N 15 120.235 0.003 . . . . . . . 65 ASP N . 27433 1 766 . 1 . 1 66 66 CYS H H 1 8.408 0.000 . . . . . . . 66 CYS H . 27433 1 767 . 1 . 1 66 66 CYS HA H 1 5.249 0.000 . . . . . . . 66 CYS HA . 27433 1 768 . 1 . 1 66 66 CYS HB2 H 1 3.241 0.000 . . . . . . . 66 CYS HB2 . 27433 1 769 . 1 . 1 66 66 CYS HB3 H 1 3.075 0.000 . . . . . . . 66 CYS HB3 . 27433 1 770 . 1 . 1 66 66 CYS CA C 13 52.320 0.000 . . . . . . . 66 CYS CA . 27433 1 771 . 1 . 1 66 66 CYS CB C 13 41.072 0.000 . . . . . . . 66 CYS CB . 27433 1 772 . 1 . 1 66 66 CYS N N 15 123.159 0.004 . . . . . . . 66 CYS N . 27433 1 773 . 1 . 1 67 67 PRO HA H 1 4.446 0.000 . . . . . . . 67 PRO HA . 27433 1 774 . 1 . 1 67 67 PRO HB2 H 1 2.235 0.000 . . . . . . . 67 PRO HB2 . 27433 1 775 . 1 . 1 67 67 PRO HB3 H 1 1.880 0.000 . . . . . . . 67 PRO HB3 . 27433 1 776 . 1 . 1 67 67 PRO HG2 H 1 2.046 0.000 . . . . . . . 67 PRO HG2 . 27433 1 777 . 1 . 1 67 67 PRO HG3 H 1 1.943 0.000 . . . . . . . 67 PRO HG3 . 27433 1 778 . 1 . 1 67 67 PRO HD2 H 1 4.000 0.000 . . . . . . . 67 PRO HD2 . 27433 1 779 . 1 . 1 67 67 PRO HD3 H 1 3.561 0.000 . . . . . . . 67 PRO HD3 . 27433 1 780 . 1 . 1 67 67 PRO C C 13 175.210 0.000 . . . . . . . 67 PRO C . 27433 1 781 . 1 . 1 67 67 PRO CA C 13 62.710 0.000 . . . . . . . 67 PRO CA . 27433 1 782 . 1 . 1 67 67 PRO CB C 13 32.950 0.000 . . . . . . . 67 PRO CB . 27433 1 783 . 1 . 1 67 67 PRO CG C 13 27.100 0.000 . . . . . . . 67 PRO CG . 27433 1 784 . 1 . 1 67 67 PRO CD C 13 52.170 0.000 . . . . . . . 67 PRO CD . 27433 1 785 . 1 . 1 68 68 LEU H H 1 8.146 0.000 . . . . . . . 68 LEU H . 27433 1 786 . 1 . 1 68 68 LEU HA H 1 4.253 0.000 . . . . . . . 68 LEU HA . 27433 1 787 . 1 . 1 68 68 LEU HB2 H 1 1.528 0.000 . . . . . . . 68 LEU HB2 . 27433 1 788 . 1 . 1 68 68 LEU HB3 H 1 1.528 0.000 . . . . . . . 68 LEU HB3 . 27433 1 789 . 1 . 1 68 68 LEU HG H 1 1.547 0.000 . . . . . . . 68 LEU HG . 27433 1 790 . 1 . 1 68 68 LEU HD11 H 1 0.866 0.000 . . . . . . . 68 LEU QD1 . 27433 1 791 . 1 . 1 68 68 LEU HD12 H 1 0.866 0.000 . . . . . . . 68 LEU QD1 . 27433 1 792 . 1 . 1 68 68 LEU HD13 H 1 0.866 0.000 . . . . . . . 68 LEU QD1 . 27433 1 793 . 1 . 1 68 68 LEU HD21 H 1 0.801 0.000 . . . . . . . 68 LEU QD2 . 27433 1 794 . 1 . 1 68 68 LEU HD22 H 1 0.801 0.000 . . . . . . . 68 LEU QD2 . 27433 1 795 . 1 . 1 68 68 LEU HD23 H 1 0.801 0.000 . . . . . . . 68 LEU QD2 . 27433 1 796 . 1 . 1 68 68 LEU C C 13 176.001 0.000 . . . . . . . 68 LEU C . 27433 1 797 . 1 . 1 68 68 LEU CA C 13 55.039 0.000 . . . . . . . 68 LEU CA . 27433 1 798 . 1 . 1 68 68 LEU CB C 13 40.520 0.000 . . . . . . . 68 LEU CB . 27433 1 799 . 1 . 1 68 68 LEU CG C 13 27.176 0.000 . . . . . . . 68 LEU CG . 27433 1 800 . 1 . 1 68 68 LEU CD1 C 13 24.800 0.000 . . . . . . . 68 LEU CD1 . 27433 1 801 . 1 . 1 68 68 LEU CD2 C 13 23.910 0.000 . . . . . . . 68 LEU CD2 . 27433 1 802 . 1 . 1 68 68 LEU N N 15 119.951 0.001 . . . . . . . 68 LEU N . 27433 1 803 . 1 . 1 69 69 ALA H H 1 7.424 0.000 . . . . . . . 69 ALA H . 27433 1 804 . 1 . 1 69 69 ALA HA H 1 4.373 0.000 . . . . . . . 69 ALA HA . 27433 1 805 . 1 . 1 69 69 ALA HB1 H 1 1.190 0.000 . . . . . . . 69 ALA QB . 27433 1 806 . 1 . 1 69 69 ALA HB2 H 1 1.190 0.000 . . . . . . . 69 ALA QB . 27433 1 807 . 1 . 1 69 69 ALA HB3 H 1 1.190 0.000 . . . . . . . 69 ALA QB . 27433 1 808 . 1 . 1 69 69 ALA C C 13 176.023 0.000 . . . . . . . 69 ALA C . 27433 1 809 . 1 . 1 69 69 ALA CA C 13 50.870 0.000 . . . . . . . 69 ALA CA . 27433 1 810 . 1 . 1 69 69 ALA CB C 13 21.783 0.000 . . . . . . . 69 ALA CB . 27433 1 811 . 1 . 1 69 69 ALA N N 15 125.904 0.002 . . . . . . . 69 ALA N . 27433 1 812 . 1 . 1 70 70 PHE H H 1 8.402 0.000 . . . . . . . 70 PHE H . 27433 1 813 . 1 . 1 70 70 PHE HA H 1 4.354 0.000 . . . . . . . 70 PHE HA . 27433 1 814 . 1 . 1 70 70 PHE HB2 H 1 3.185 0.000 . . . . . . . 70 PHE HB2 . 27433 1 815 . 1 . 1 70 70 PHE HB3 H 1 3.067 0.000 . . . . . . . 70 PHE HB3 . 27433 1 816 . 1 . 1 70 70 PHE HD1 H 1 7.321 0.000 . . . . . . . 70 PHE QD . 27433 1 817 . 1 . 1 70 70 PHE HD2 H 1 7.321 0.000 . . . . . . . 70 PHE QD . 27433 1 818 . 1 . 1 70 70 PHE HE1 H 1 7.380 0.000 . . . . . . . 70 PHE QE . 27433 1 819 . 1 . 1 70 70 PHE HE2 H 1 7.380 0.000 . . . . . . . 70 PHE QE . 27433 1 820 . 1 . 1 70 70 PHE HZ H 1 7.321 0.000 . . . . . . . 70 PHE HZ . 27433 1 821 . 1 . 1 70 70 PHE C C 13 176.754 0.000 . . . . . . . 70 PHE C . 27433 1 822 . 1 . 1 70 70 PHE CA C 13 61.126 0.000 . . . . . . . 70 PHE CA . 27433 1 823 . 1 . 1 70 70 PHE CB C 13 38.634 0.000 . . . . . . . 70 PHE CB . 27433 1 824 . 1 . 1 70 70 PHE CD1 C 13 132.722 0.003 . . . . . . . 70 PHE CD1 . 27433 1 825 . 1 . 1 70 70 PHE CD2 C 13 132.722 0.000 . . . . . . . 70 PHE CD2 . 27433 1 826 . 1 . 1 70 70 PHE CE1 C 13 132.686 0.000 . . . . . . . 70 PHE CE1 . 27433 1 827 . 1 . 1 70 70 PHE CE2 C 13 132.686 0.000 . . . . . . . 70 PHE CE2 . 27433 1 828 . 1 . 1 70 70 PHE CZ C 13 132.727 0.000 . . . . . . . 70 PHE CZ . 27433 1 829 . 1 . 1 70 70 PHE N N 15 120.619 0.004 . . . . . . . 70 PHE N . 27433 1 830 . 1 . 1 71 71 ILE H H 1 7.775 0.000 . . . . . . . 71 ILE H . 27433 1 831 . 1 . 1 71 71 ILE HA H 1 4.257 0.000 . . . . . . . 71 ILE HA . 27433 1 832 . 1 . 1 71 71 ILE HB H 1 1.742 0.000 . . . . . . . 71 ILE HB . 27433 1 833 . 1 . 1 71 71 ILE HG12 H 1 1.332 0.000 . . . . . . . 71 ILE HG12 . 27433 1 834 . 1 . 1 71 71 ILE HG13 H 1 1.332 0.000 . . . . . . . 71 ILE HG13 . 27433 1 835 . 1 . 1 71 71 ILE HG21 H 1 0.563 0.000 . . . . . . . 71 ILE QG2 . 27433 1 836 . 1 . 1 71 71 ILE HG22 H 1 0.563 0.000 . . . . . . . 71 ILE QG2 . 27433 1 837 . 1 . 1 71 71 ILE HG23 H 1 0.563 0.000 . . . . . . . 71 ILE QG2 . 27433 1 838 . 1 . 1 71 71 ILE HD11 H 1 0.805 0.000 . . . . . . . 71 ILE QD1 . 27433 1 839 . 1 . 1 71 71 ILE HD12 H 1 0.805 0.000 . . . . . . . 71 ILE QD1 . 27433 1 840 . 1 . 1 71 71 ILE HD13 H 1 0.805 0.000 . . . . . . . 71 ILE QD1 . 27433 1 841 . 1 . 1 71 71 ILE CA C 13 58.690 0.000 . . . . . . . 71 ILE CA . 27433 1 842 . 1 . 1 71 71 ILE CB C 13 38.600 0.000 . . . . . . . 71 ILE CB . 27433 1 843 . 1 . 1 71 71 ILE CG1 C 13 26.990 0.000 . . . . . . . 71 ILE CG1 . 27433 1 844 . 1 . 1 71 71 ILE CG2 C 13 17.610 0.000 . . . . . . . 71 ILE CG2 . 27433 1 845 . 1 . 1 71 71 ILE CD1 C 13 12.984 0.000 . . . . . . . 71 ILE CD1 . 27433 1 846 . 1 . 1 71 71 ILE N N 15 117.403 0.003 . . . . . . . 71 ILE N . 27433 1 847 . 1 . 1 72 72 PRO HA H 1 4.341 0.000 . . . . . . . 72 PRO HA . 27433 1 848 . 1 . 1 72 72 PRO HB2 H 1 2.084 0.000 . . . . . . . 72 PRO HB2 . 27433 1 849 . 1 . 1 72 72 PRO HB3 H 1 2.022 0.000 . . . . . . . 72 PRO HB3 . 27433 1 850 . 1 . 1 72 72 PRO HG2 H 1 2.147 0.000 . . . . . . . 72 PRO HG2 . 27433 1 851 . 1 . 1 72 72 PRO HG3 H 1 2.147 0.000 . . . . . . . 72 PRO HG3 . 27433 1 852 . 1 . 1 72 72 PRO HD2 H 1 3.611 0.000 . . . . . . . 72 PRO HD2 . 27433 1 853 . 1 . 1 72 72 PRO HD3 H 1 3.611 0.000 . . . . . . . 72 PRO HD3 . 27433 1 854 . 1 . 1 72 72 PRO C C 13 174.616 0.000 . . . . . . . 72 PRO C . 27433 1 855 . 1 . 1 72 72 PRO CA C 13 62.040 0.000 . . . . . . . 72 PRO CA . 27433 1 856 . 1 . 1 72 72 PRO CB C 13 32.694 0.000 . . . . . . . 72 PRO CB . 27433 1 857 . 1 . 1 72 72 PRO CG C 13 26.650 0.000 . . . . . . . 72 PRO CG . 27433 1 858 . 1 . 1 72 72 PRO CD C 13 50.410 0.000 . . . . . . . 72 PRO CD . 27433 1 859 . 1 . 1 73 73 TYR H H 1 7.376 0.000 . . . . . . . 73 TYR H . 27433 1 860 . 1 . 1 73 73 TYR HA H 1 5.042 0.000 . . . . . . . 73 TYR HA . 27433 1 861 . 1 . 1 73 73 TYR HB2 H 1 2.615 0.000 . . . . . . . 73 TYR HB2 . 27433 1 862 . 1 . 1 73 73 TYR HB3 H 1 2.439 0.000 . . . . . . . 73 TYR HB3 . 27433 1 863 . 1 . 1 73 73 TYR HD1 H 1 6.890 0.000 . . . . . . . 73 TYR QD . 27433 1 864 . 1 . 1 73 73 TYR HD2 H 1 6.890 0.000 . . . . . . . 73 TYR QD . 27433 1 865 . 1 . 1 73 73 TYR HE1 H 1 6.680 0.000 . . . . . . . 73 TYR QE . 27433 1 866 . 1 . 1 73 73 TYR HE2 H 1 6.680 0.000 . . . . . . . 73 TYR QE . 27433 1 867 . 1 . 1 73 73 TYR C C 13 176.331 0.000 . . . . . . . 73 TYR C . 27433 1 868 . 1 . 1 73 73 TYR CA C 13 55.105 0.000 . . . . . . . 73 TYR CA . 27433 1 869 . 1 . 1 73 73 TYR CB C 13 41.418 0.000 . . . . . . . 73 TYR CB . 27433 1 870 . 1 . 1 73 73 TYR CD1 C 13 134.383 0.000 . . . . . . . 73 TYR CD1 . 27433 1 871 . 1 . 1 73 73 TYR CD2 C 13 134.383 0.000 . . . . . . . 73 TYR CD2 . 27433 1 872 . 1 . 1 73 73 TYR CE1 C 13 119.110 0.000 . . . . . . . 73 TYR CE1 . 27433 1 873 . 1 . 1 73 73 TYR CE2 C 13 119.110 0.000 . . . . . . . 73 TYR CE2 . 27433 1 874 . 1 . 1 73 73 TYR N N 15 116.903 0.006 . . . . . . . 73 TYR N . 27433 1 875 . 1 . 1 74 74 CYS H H 1 8.679 0.000 . . . . . . . 74 CYS H . 27433 1 876 . 1 . 1 74 74 CYS HA H 1 4.762 0.000 . . . . . . . 74 CYS HA . 27433 1 877 . 1 . 1 74 74 CYS HB2 H 1 3.275 0.000 . . . . . . . 74 CYS HB2 . 27433 1 878 . 1 . 1 74 74 CYS HB3 H 1 2.651 0.000 . . . . . . . 74 CYS HB3 . 27433 1 879 . 1 . 1 74 74 CYS C C 13 176.127 0.000 . . . . . . . 74 CYS C . 27433 1 880 . 1 . 1 74 74 CYS CA C 13 57.219 0.000 . . . . . . . 74 CYS CA . 27433 1 881 . 1 . 1 74 74 CYS CB C 13 41.567 0.000 . . . . . . . 74 CYS CB . 27433 1 882 . 1 . 1 74 74 CYS N N 15 118.150 0.001 . . . . . . . 74 CYS N . 27433 1 883 . 1 . 1 75 75 GLU H H 1 9.285 0.000 . . . . . . . 75 GLU H . 27433 1 884 . 1 . 1 75 75 GLU HA H 1 4.940 0.000 . . . . . . . 75 GLU HA . 27433 1 885 . 1 . 1 75 75 GLU HB2 H 1 2.081 0.000 . . . . . . . 75 GLU HB2 . 27433 1 886 . 1 . 1 75 75 GLU HB3 H 1 1.957 0.000 . . . . . . . 75 GLU HB3 . 27433 1 887 . 1 . 1 75 75 GLU HG2 H 1 2.354 0.000 . . . . . . . 75 GLU HG2 . 27433 1 888 . 1 . 1 75 75 GLU HG3 H 1 2.354 0.000 . . . . . . . 75 GLU HG3 . 27433 1 889 . 1 . 1 75 75 GLU C C 13 174.500 0.000 . . . . . . . 75 GLU C . 27433 1 890 . 1 . 1 75 75 GLU CA C 13 54.008 0.000 . . . . . . . 75 GLU CA . 27433 1 891 . 1 . 1 75 75 GLU CB C 13 33.592 0.000 . . . . . . . 75 GLU CB . 27433 1 892 . 1 . 1 75 75 GLU CG C 13 34.536 0.000 . . . . . . . 75 GLU CG . 27433 1 893 . 1 . 1 75 75 GLU N N 15 122.658 0.005 . . . . . . . 75 GLU N . 27433 1 894 . 1 . 1 76 76 LYS H H 1 8.850 0.000 . . . . . . . 76 LYS H . 27433 1 895 . 1 . 1 76 76 LYS HA H 1 4.316 0.000 . . . . . . . 76 LYS HA . 27433 1 896 . 1 . 1 76 76 LYS HB2 H 1 1.800 0.000 . . . . . . . 76 LYS HB2 . 27433 1 897 . 1 . 1 76 76 LYS HB3 H 1 1.596 0.000 . . . . . . . 76 LYS HB3 . 27433 1 898 . 1 . 1 76 76 LYS HG2 H 1 1.339 0.000 . . . . . . . 76 LYS HG2 . 27433 1 899 . 1 . 1 76 76 LYS HG3 H 1 1.413 0.000 . . . . . . . 76 LYS HG3 . 27433 1 900 . 1 . 1 76 76 LYS HD2 H 1 1.647 0.000 . . . . . . . 76 LYS HD2 . 27433 1 901 . 1 . 1 76 76 LYS HD3 H 1 1.647 0.000 . . . . . . . 76 LYS HD3 . 27433 1 902 . 1 . 1 76 76 LYS HE2 H 1 2.965 0.000 . . . . . . . 76 LYS HE2 . 27433 1 903 . 1 . 1 76 76 LYS HE3 H 1 2.965 0.000 . . . . . . . 76 LYS HE3 . 27433 1 904 . 1 . 1 76 76 LYS C C 13 176.680 0.000 . . . . . . . 76 LYS C . 27433 1 905 . 1 . 1 76 76 LYS CA C 13 57.063 0.000 . . . . . . . 76 LYS CA . 27433 1 906 . 1 . 1 76 76 LYS CB C 13 33.250 0.000 . . . . . . . 76 LYS CB . 27433 1 907 . 1 . 1 76 76 LYS CG C 13 25.296 0.000 . . . . . . . 76 LYS CG . 27433 1 908 . 1 . 1 76 76 LYS CD C 13 29.279 0.000 . . . . . . . 76 LYS CD . 27433 1 909 . 1 . 1 76 76 LYS CE C 13 41.840 0.000 . . . . . . . 76 LYS CE . 27433 1 910 . 1 . 1 76 76 LYS N N 15 122.303 0.003 . . . . . . . 76 LYS N . 27433 1 911 . 1 . 1 77 77 TYR H H 1 8.101 0.000 . . . . . . . 77 TYR H . 27433 1 912 . 1 . 1 77 77 TYR HA H 1 4.493 0.000 . . . . . . . 77 TYR HA . 27433 1 913 . 1 . 1 77 77 TYR HB2 H 1 2.980 0.000 . . . . . . . 77 TYR HB2 . 27433 1 914 . 1 . 1 77 77 TYR HB3 H 1 2.834 0.000 . . . . . . . 77 TYR HB3 . 27433 1 915 . 1 . 1 77 77 TYR HD1 H 1 7.053 0.000 . . . . . . . 77 TYR QD . 27433 1 916 . 1 . 1 77 77 TYR HD2 H 1 7.053 0.000 . . . . . . . 77 TYR QD . 27433 1 917 . 1 . 1 77 77 TYR HE1 H 1 6.765 0.000 . . . . . . . 77 TYR QE . 27433 1 918 . 1 . 1 77 77 TYR HE2 H 1 6.765 0.000 . . . . . . . 77 TYR QE . 27433 1 919 . 1 . 1 77 77 TYR C C 13 175.259 0.000 . . . . . . . 77 TYR C . 27433 1 920 . 1 . 1 77 77 TYR CA C 13 58.400 0.000 . . . . . . . 77 TYR CA . 27433 1 921 . 1 . 1 77 77 TYR CB C 13 38.650 0.000 . . . . . . . 77 TYR CB . 27433 1 922 . 1 . 1 77 77 TYR CD1 C 13 133.993 0.000 . . . . . . . 77 TYR CD1 . 27433 1 923 . 1 . 1 77 77 TYR CD2 C 13 133.993 0.000 . . . . . . . 77 TYR CD2 . 27433 1 924 . 1 . 1 77 77 TYR CE1 C 13 119.123 0.000 . . . . . . . 77 TYR CE1 . 27433 1 925 . 1 . 1 77 77 TYR CE2 C 13 119.123 0.000 . . . . . . . 77 TYR CE2 . 27433 1 926 . 1 . 1 77 77 TYR N N 15 122.955 0.004 . . . . . . . 77 TYR N . 27433 1 927 . 1 . 1 78 78 ARG H H 1 7.931 0.000 . . . . . . . 78 ARG H . 27433 1 928 . 1 . 1 78 78 ARG HA H 1 4.094 0.000 . . . . . . . 78 ARG HA . 27433 1 929 . 1 . 1 78 78 ARG HB2 H 1 1.655 0.000 . . . . . . . 78 ARG HB2 . 27433 1 930 . 1 . 1 78 78 ARG HB3 H 1 1.777 0.000 . . . . . . . 78 ARG HB3 . 27433 1 931 . 1 . 1 78 78 ARG HG2 H 1 1.524 0.000 . . . . . . . 78 ARG HG2 . 27433 1 932 . 1 . 1 78 78 ARG HG3 H 1 1.524 0.000 . . . . . . . 78 ARG HG3 . 27433 1 933 . 1 . 1 78 78 ARG HD2 H 1 3.140 0.000 . . . . . . . 78 ARG HD2 . 27433 1 934 . 1 . 1 78 78 ARG HD3 H 1 3.140 0.000 . . . . . . . 78 ARG HD3 . 27433 1 935 . 1 . 1 78 78 ARG HE H 1 7.187 0.000 . . . . . . . 78 ARG HE . 27433 1 936 . 1 . 1 78 78 ARG CA C 13 57.450 0.000 . . . . . . . 78 ARG CA . 27433 1 937 . 1 . 1 78 78 ARG CB C 13 31.711 0.000 . . . . . . . 78 ARG CB . 27433 1 938 . 1 . 1 78 78 ARG CG C 13 27.210 0.000 . . . . . . . 78 ARG CG . 27433 1 939 . 1 . 1 78 78 ARG CD C 13 43.540 0.000 . . . . . . . 78 ARG CD . 27433 1 940 . 1 . 1 78 78 ARG N N 15 128.059 0.001 . . . . . . . 78 ARG N . 27433 1 941 . 1 . 1 78 78 ARG NE N 15 113.408 0.000 . . . . . . . 78 ARG NE . 27433 1 stop_ save_