data_34729 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34729 _Entry.Title ; The NMR structure of the MAX67 effector from Magnaporthe Oryzae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-12 _Entry.Accession_date 2022-04-12 _Entry.Last_release_date 2022-04-29 _Entry.Original_release_date 2022-04-29 _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 NMR' _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 M. Lahfa M. . . . 34729 2 A. Padilla A. . . . 34729 3 K. 'de Guillen' K. . . . 34729 4 J. Pissarra J. . . . 34729 5 M. Raji M. . . . 34729 6 S. Cesari S. . . . 34729 7 T. Kroj T. . . . 34729 8 P. Gladieux P. . . . 34729 9 C. Roumestand C. . . . 34729 10 P. Barthe P. . . . 34729 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Magnaporthe oryzae' . 34729 'UNKNOWN FUNCTION' . 34729 effector . 34729 'plant pathogen' . 34729 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34729 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 253 34729 '15N chemical shifts' 65 34729 '1H chemical shifts' 405 34729 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-04-18 . original BMRB . 34729 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7ZJY 'BMRB Entry Tracking System' 34729 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34729 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35657473 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N backbone and side-chain NMR assignments for three MAX effectors from Magnaporthe oryzae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 16 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD 0353 _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 305 _Citation.Page_last 309 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Lahfa M. . . . 34729 1 2 A. Padilla A. . . . 34729 1 3 K. 'de Guillen' K. . . . 34729 1 4 J. Pissarra J. . . . 34729 1 5 M. Raji M. . . . 34729 1 6 S. Cesari S. . . . 34729 1 7 T. Kroj T. . . . 34729 1 8 P. Gladieux P. . . . 34729 1 9 C. Roumestand C. . . . 34729 1 10 P. Barthe P. . . . 34729 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34729 _Assembly.ID 1 _Assembly.Name 'MAX effector protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 unit_1 1 $entity_1 A A yes . . . . . . 34729 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34729 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPHMADCTLGCKYLENNRWV SVSKSANIGDTLYIMGHSTK IGRGCKPETTEWSDAEIYSW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6717.538 _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 17 GLY . 34729 1 2 18 PRO . 34729 1 3 19 HIS . 34729 1 4 20 MET . 34729 1 5 21 ALA . 34729 1 6 22 ASP . 34729 1 7 23 CYS . 34729 1 8 24 THR . 34729 1 9 25 LEU . 34729 1 10 26 GLY . 34729 1 11 27 CYS . 34729 1 12 28 LYS . 34729 1 13 29 TYR . 34729 1 14 30 LEU . 34729 1 15 31 GLU . 34729 1 16 32 ASN . 34729 1 17 33 ASN . 34729 1 18 34 ARG . 34729 1 19 35 TRP . 34729 1 20 36 VAL . 34729 1 21 37 SER . 34729 1 22 38 VAL . 34729 1 23 39 SER . 34729 1 24 40 LYS . 34729 1 25 41 SER . 34729 1 26 42 ALA . 34729 1 27 43 ASN . 34729 1 28 44 ILE . 34729 1 29 45 GLY . 34729 1 30 46 ASP . 34729 1 31 47 THR . 34729 1 32 48 LEU . 34729 1 33 49 TYR . 34729 1 34 50 ILE . 34729 1 35 51 MET . 34729 1 36 52 GLY . 34729 1 37 53 HIS . 34729 1 38 54 SER . 34729 1 39 55 THR . 34729 1 40 56 LYS . 34729 1 41 57 ILE . 34729 1 42 58 GLY . 34729 1 43 59 ARG . 34729 1 44 60 GLY . 34729 1 45 61 CYS . 34729 1 46 62 LYS . 34729 1 47 63 PRO . 34729 1 48 64 GLU . 34729 1 49 65 THR . 34729 1 50 66 THR . 34729 1 51 67 GLU . 34729 1 52 68 TRP . 34729 1 53 69 SER . 34729 1 54 70 ASP . 34729 1 55 71 ALA . 34729 1 56 72 GLU . 34729 1 57 73 ILE . 34729 1 58 74 TYR . 34729 1 59 75 SER . 34729 1 60 76 TRP . 34729 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 34729 1 . PRO 2 2 34729 1 . HIS 3 3 34729 1 . MET 4 4 34729 1 . ALA 5 5 34729 1 . ASP 6 6 34729 1 . CYS 7 7 34729 1 . THR 8 8 34729 1 . LEU 9 9 34729 1 . GLY 10 10 34729 1 . CYS 11 11 34729 1 . LYS 12 12 34729 1 . TYR 13 13 34729 1 . LEU 14 14 34729 1 . GLU 15 15 34729 1 . ASN 16 16 34729 1 . ASN 17 17 34729 1 . ARG 18 18 34729 1 . TRP 19 19 34729 1 . VAL 20 20 34729 1 . SER 21 21 34729 1 . VAL 22 22 34729 1 . SER 23 23 34729 1 . LYS 24 24 34729 1 . SER 25 25 34729 1 . ALA 26 26 34729 1 . ASN 27 27 34729 1 . ILE 28 28 34729 1 . GLY 29 29 34729 1 . ASP 30 30 34729 1 . THR 31 31 34729 1 . LEU 32 32 34729 1 . TYR 33 33 34729 1 . ILE 34 34 34729 1 . MET 35 35 34729 1 . GLY 36 36 34729 1 . HIS 37 37 34729 1 . SER 38 38 34729 1 . THR 39 39 34729 1 . LYS 40 40 34729 1 . ILE 41 41 34729 1 . GLY 42 42 34729 1 . ARG 43 43 34729 1 . GLY 44 44 34729 1 . CYS 45 45 34729 1 . LYS 46 46 34729 1 . PRO 47 47 34729 1 . GLU 48 48 34729 1 . THR 49 49 34729 1 . THR 50 50 34729 1 . GLU 51 51 34729 1 . TRP 52 52 34729 1 . SER 53 53 34729 1 . ASP 54 54 34729 1 . ALA 55 55 34729 1 . GLU 56 56 34729 1 . ILE 57 57 34729 1 . TYR 58 58 34729 1 . SER 59 59 34729 1 . TRP 60 60 34729 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 34729 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 318829 organism . 'Pyricularia oryzae' 'rice blast fungus' . . Eukaryota Fungi Pyricularia oryzae P131 . . . . . . . . . . OOW_P131scaffold01681g1 . 34729 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 34729 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34729 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34729 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-15N] MAX67, 25 mM sodium acetate, 2 mM DTT, 95% H2O/5% D2O' _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 MAX67 [U-15N] . . 1 $entity_1 . . 0.5 . . mM . . . . 34729 1 2 'sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 34729 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34729 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34729 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] MAX67, 25 mM sodium acetate, 2 mM DTT, 95% H2O/5% D2O' _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 MAX67 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34729 2 2 'sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 34729 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34729 2 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 34729 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 34729 1 pH 4.6 . pH 34729 1 pressure 1 . atm 34729 1 temperature 305 . K 34729 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34729 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34729 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34729 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34729 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34729 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34729 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34729 _Software.ID 3 _Software.Type . _Software.Name CINDY _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Padilla, A.' . . 34729 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34729 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34729 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34729 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34729 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34729 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34729 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 34729 _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 NMR_spectrometer_1 Bruker 'AVANCE III' . 700 . . . 34729 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 34729 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 34729 _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 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34729 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34729 1 3 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34729 1 4 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34729 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34729 1 6 '3D HN(COCA)CB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34729 1 7 '3D HCACO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34729 1 8 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34729 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34729 _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 internal indirect 0.251449530 . . . . . 34729 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 34729 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 34729 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34729 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 34729 1 2 '3D 1H-15N TOCSY' . . . 34729 1 3 '3D HNCA' . . . 34729 1 4 '3D HNCACB' . . . 34729 1 5 '3D HN(CO)CA' . . . 34729 1 6 '3D HN(COCA)CB' . . . 34729 1 7 '3D HCACO' . . . 34729 1 8 '3D HNCO' . . . 34729 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 4.005 0.000 . . . . . . A 17 GLY HA2 . 34729 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.997 0.000 . . . . . . A 17 GLY HA3 . 34729 1 3 . 1 . 1 1 1 GLY CA C 13 43.270 0.000 . . . . . . A 17 GLY CA . 34729 1 4 . 1 . 1 2 2 PRO HA H 1 4.433 0.000 . . . . . . A 18 PRO HA . 34729 1 5 . 1 . 1 2 2 PRO HB2 H 1 2.268 0.000 . . . . . . A 18 PRO HB2 . 34729 1 6 . 1 . 1 2 2 PRO HB3 H 1 1.830 0.000 . . . . . . A 18 PRO HB3 . 34729 1 7 . 1 . 1 2 2 PRO HG2 H 1 2.015 0.000 . . . . . . A 18 PRO HG2 . 34729 1 8 . 1 . 1 2 2 PRO HG3 H 1 1.967 0.000 . . . . . . A 18 PRO HG3 . 34729 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.590 0.000 . . . . . . A 18 PRO HD2 . 34729 1 10 . 1 . 1 2 2 PRO HD3 H 1 3.551 0.000 . . . . . . A 18 PRO HD3 . 34729 1 11 . 1 . 1 2 2 PRO C C 13 176.560 0.000 . . . . . . A 18 PRO C . 34729 1 12 . 1 . 1 2 2 PRO CA C 13 63.110 0.000 . . . . . . A 18 PRO CA . 34729 1 13 . 1 . 1 2 2 PRO CB C 13 32.350 0.000 . . . . . . A 18 PRO CB . 34729 1 14 . 1 . 1 2 2 PRO CG C 13 27.150 0.000 . . . . . . A 18 PRO CG . 34729 1 15 . 1 . 1 2 2 PRO CD C 13 49.790 0.000 . . . . . . A 18 PRO CD . 34729 1 16 . 1 . 1 3 3 HIS H H 1 8.643 0.000 . . . . . . A 19 HIS H . 34729 1 17 . 1 . 1 3 3 HIS HA H 1 4.695 0.000 . . . . . . A 19 HIS HA . 34729 1 18 . 1 . 1 3 3 HIS HB2 H 1 3.273 0.000 . . . . . . A 19 HIS HB2 . 34729 1 19 . 1 . 1 3 3 HIS HB3 H 1 3.195 0.000 . . . . . . A 19 HIS HB3 . 34729 1 20 . 1 . 1 3 3 HIS HD2 H 1 7.306 0.000 . . . . . . A 19 HIS HD2 . 34729 1 21 . 1 . 1 3 3 HIS HE1 H 1 8.604 0.000 . . . . . . A 19 HIS HE1 . 34729 1 22 . 1 . 1 3 3 HIS C C 13 174.180 0.000 . . . . . . A 19 HIS C . 34729 1 23 . 1 . 1 3 3 HIS CA C 13 55.270 0.000 . . . . . . A 19 HIS CA . 34729 1 24 . 1 . 1 3 3 HIS CB C 13 29.130 0.000 . . . . . . A 19 HIS CB . 34729 1 25 . 1 . 1 3 3 HIS CD2 C 13 120.300 0.000 . . . . . . A 19 HIS CD2 . 34729 1 26 . 1 . 1 3 3 HIS CE1 C 13 136.700 0.000 . . . . . . A 19 HIS CE1 . 34729 1 27 . 1 . 1 3 3 HIS N N 15 118.580 0.000 . . . . . . A 19 HIS N . 34729 1 28 . 1 . 1 4 4 MET H H 1 8.366 0.000 . . . . . . A 20 MET H . 34729 1 29 . 1 . 1 4 4 MET HA H 1 4.476 0.000 . . . . . . A 20 MET HA . 34729 1 30 . 1 . 1 4 4 MET HB2 H 1 2.064 0.000 . . . . . . A 20 MET HB2 . 34729 1 31 . 1 . 1 4 4 MET HB3 H 1 1.961 0.000 . . . . . . A 20 MET HB3 . 34729 1 32 . 1 . 1 4 4 MET HG2 H 1 2.588 0.000 . . . . . . A 20 MET HG2 . 34729 1 33 . 1 . 1 4 4 MET HG3 H 1 2.521 0.000 . . . . . . A 20 MET HG3 . 34729 1 34 . 1 . 1 4 4 MET HE1 H 1 2.096 0.000 . . . . . . A 20 MET HE1 . 34729 1 35 . 1 . 1 4 4 MET HE2 H 1 2.096 0.000 . . . . . . A 20 MET HE2 . 34729 1 36 . 1 . 1 4 4 MET HE3 H 1 2.096 0.000 . . . . . . A 20 MET HE3 . 34729 1 37 . 1 . 1 4 4 MET C C 13 175.190 0.000 . . . . . . A 20 MET C . 34729 1 38 . 1 . 1 4 4 MET CA C 13 55.300 0.000 . . . . . . A 20 MET CA . 34729 1 39 . 1 . 1 4 4 MET CB C 13 33.350 0.000 . . . . . . A 20 MET CB . 34729 1 40 . 1 . 1 4 4 MET CG C 13 31.970 0.000 . . . . . . A 20 MET CG . 34729 1 41 . 1 . 1 4 4 MET CE C 13 17.030 0.000 . . . . . . A 20 MET CE . 34729 1 42 . 1 . 1 4 4 MET N N 15 123.010 0.000 . . . . . . A 20 MET N . 34729 1 43 . 1 . 1 5 5 ALA H H 1 8.234 0.000 . . . . . . A 21 ALA H . 34729 1 44 . 1 . 1 5 5 ALA HA H 1 4.626 0.000 . . . . . . A 21 ALA HA . 34729 1 45 . 1 . 1 5 5 ALA HB1 H 1 1.305 0.000 . . . . . . A 21 ALA HB1 . 34729 1 46 . 1 . 1 5 5 ALA HB2 H 1 1.305 0.000 . . . . . . A 21 ALA HB2 . 34729 1 47 . 1 . 1 5 5 ALA HB3 H 1 1.305 0.000 . . . . . . A 21 ALA HB3 . 34729 1 48 . 1 . 1 5 5 ALA C C 13 178.040 0.000 . . . . . . A 21 ALA C . 34729 1 49 . 1 . 1 5 5 ALA CA C 13 51.620 0.000 . . . . . . A 21 ALA CA . 34729 1 50 . 1 . 1 5 5 ALA CB C 13 19.990 0.000 . . . . . . A 21 ALA CB . 34729 1 51 . 1 . 1 5 5 ALA N N 15 124.780 0.000 . . . . . . A 21 ALA N . 34729 1 52 . 1 . 1 6 6 ASP H H 1 8.634 0.000 . . . . . . A 22 ASP H . 34729 1 53 . 1 . 1 6 6 ASP HA H 1 4.414 0.000 . . . . . . A 22 ASP HA . 34729 1 54 . 1 . 1 6 6 ASP HB2 H 1 3.117 0.000 . . . . . . A 22 ASP HB2 . 34729 1 55 . 1 . 1 6 6 ASP HB3 H 1 2.898 0.000 . . . . . . A 22 ASP HB3 . 34729 1 56 . 1 . 1 6 6 ASP C C 13 177.180 0.000 . . . . . . A 22 ASP C . 34729 1 57 . 1 . 1 6 6 ASP CA C 13 57.690 0.000 . . . . . . A 22 ASP CA . 34729 1 58 . 1 . 1 6 6 ASP CB C 13 43.520 0.000 . . . . . . A 22 ASP CB . 34729 1 59 . 1 . 1 6 6 ASP N N 15 119.400 0.000 . . . . . . A 22 ASP N . 34729 1 60 . 1 . 1 7 7 CYS H H 1 8.586 0.000 . . . . . . A 23 CYS H . 34729 1 61 . 1 . 1 7 7 CYS HA H 1 5.185 0.000 . . . . . . A 23 CYS HA . 34729 1 62 . 1 . 1 7 7 CYS HB2 H 1 2.797 0.000 . . . . . . A 23 CYS HB2 . 34729 1 63 . 1 . 1 7 7 CYS HB3 H 1 2.921 0.000 . . . . . . A 23 CYS HB3 . 34729 1 64 . 1 . 1 7 7 CYS C C 13 174.310 0.000 . . . . . . A 23 CYS C . 34729 1 65 . 1 . 1 7 7 CYS CA C 13 53.280 0.000 . . . . . . A 23 CYS CA . 34729 1 66 . 1 . 1 7 7 CYS CB C 13 43.060 0.000 . . . . . . A 23 CYS CB . 34729 1 67 . 1 . 1 7 7 CYS N N 15 113.400 0.000 . . . . . . A 23 CYS N . 34729 1 68 . 1 . 1 8 8 THR H H 1 9.144 0.000 . . . . . . A 24 THR H . 34729 1 69 . 1 . 1 8 8 THR HA H 1 4.652 0.000 . . . . . . A 24 THR HA . 34729 1 70 . 1 . 1 8 8 THR HB H 1 3.934 0.000 . . . . . . A 24 THR HB . 34729 1 71 . 1 . 1 8 8 THR HG21 H 1 1.050 0.000 . . . . . . A 24 THR HG21 . 34729 1 72 . 1 . 1 8 8 THR HG22 H 1 1.050 0.000 . . . . . . A 24 THR HG22 . 34729 1 73 . 1 . 1 8 8 THR HG23 H 1 1.050 0.000 . . . . . . A 24 THR HG23 . 34729 1 74 . 1 . 1 8 8 THR C C 13 173.060 0.000 . . . . . . A 24 THR C . 34729 1 75 . 1 . 1 8 8 THR CA C 13 62.750 0.000 . . . . . . A 24 THR CA . 34729 1 76 . 1 . 1 8 8 THR CB C 13 70.320 0.000 . . . . . . A 24 THR CB . 34729 1 77 . 1 . 1 8 8 THR CG2 C 13 21.250 0.000 . . . . . . A 24 THR CG2 . 34729 1 78 . 1 . 1 8 8 THR N N 15 120.330 0.000 . . . . . . A 24 THR N . 34729 1 79 . 1 . 1 9 9 LEU H H 1 9.510 0.000 . . . . . . A 25 LEU H . 34729 1 80 . 1 . 1 9 9 LEU HA H 1 5.209 0.000 . . . . . . A 25 LEU HA . 34729 1 81 . 1 . 1 9 9 LEU HB2 H 1 1.598 0.000 . . . . . . A 25 LEU HB2 . 34729 1 82 . 1 . 1 9 9 LEU HB3 H 1 1.582 0.000 . . . . . . A 25 LEU HB3 . 34729 1 83 . 1 . 1 9 9 LEU HG H 1 1.741 0.000 . . . . . . A 25 LEU HG . 34729 1 84 . 1 . 1 9 9 LEU HD11 H 1 0.940 0.000 . . . . . . A 25 LEU HD11 . 34729 1 85 . 1 . 1 9 9 LEU HD12 H 1 0.940 0.000 . . . . . . A 25 LEU HD12 . 34729 1 86 . 1 . 1 9 9 LEU HD13 H 1 0.940 0.000 . . . . . . A 25 LEU HD13 . 34729 1 87 . 1 . 1 9 9 LEU HD21 H 1 0.990 0.000 . . . . . . A 25 LEU HD21 . 34729 1 88 . 1 . 1 9 9 LEU HD22 H 1 0.990 0.000 . . . . . . A 25 LEU HD22 . 34729 1 89 . 1 . 1 9 9 LEU HD23 H 1 0.990 0.000 . . . . . . A 25 LEU HD23 . 34729 1 90 . 1 . 1 9 9 LEU C C 13 176.040 0.000 . . . . . . A 25 LEU C . 34729 1 91 . 1 . 1 9 9 LEU CA C 13 53.770 0.000 . . . . . . A 25 LEU CA . 34729 1 92 . 1 . 1 9 9 LEU CB C 13 42.520 0.000 . . . . . . A 25 LEU CB . 34729 1 93 . 1 . 1 9 9 LEU CG C 13 29.070 0.000 . . . . . . A 25 LEU CG . 34729 1 94 . 1 . 1 9 9 LEU CD1 C 13 26.280 0.000 . . . . . . A 25 LEU CD1 . 34729 1 95 . 1 . 1 9 9 LEU CD2 C 13 27.200 0.000 . . . . . . A 25 LEU CD2 . 34729 1 96 . 1 . 1 9 9 LEU N N 15 128.770 0.000 . . . . . . A 25 LEU N . 34729 1 97 . 1 . 1 10 10 GLY H H 1 8.867 0.000 . . . . . . A 26 GLY H . 34729 1 98 . 1 . 1 10 10 GLY HA2 H 1 4.326 0.000 . . . . . . A 26 GLY HA2 . 34729 1 99 . 1 . 1 10 10 GLY HA3 H 1 2.966 0.000 . . . . . . A 26 GLY HA3 . 34729 1 100 . 1 . 1 10 10 GLY C C 13 172.620 0.000 . . . . . . A 26 GLY C . 34729 1 101 . 1 . 1 10 10 GLY CA C 13 45.530 0.000 . . . . . . A 26 GLY CA . 34729 1 102 . 1 . 1 10 10 GLY N N 15 114.390 0.000 . . . . . . A 26 GLY N . 34729 1 103 . 1 . 1 11 11 CYS H H 1 8.666 0.000 . . . . . . A 27 CYS H . 34729 1 104 . 1 . 1 11 11 CYS HA H 1 5.600 0.000 . . . . . . A 27 CYS HA . 34729 1 105 . 1 . 1 11 11 CYS HB2 H 1 2.791 0.000 . . . . . . A 27 CYS HB2 . 34729 1 106 . 1 . 1 11 11 CYS HB3 H 1 3.131 0.000 . . . . . . A 27 CYS HB3 . 34729 1 107 . 1 . 1 11 11 CYS HG H 1 1.944 0.000 . . . . . . A 27 CYS HG . 34729 1 108 . 1 . 1 11 11 CYS C C 13 173.700 0.000 . . . . . . A 27 CYS C . 34729 1 109 . 1 . 1 11 11 CYS CA C 13 56.390 0.000 . . . . . . A 27 CYS CA . 34729 1 110 . 1 . 1 11 11 CYS CB C 13 31.390 0.000 . . . . . . A 27 CYS CB . 34729 1 111 . 1 . 1 11 11 CYS N N 15 122.420 0.000 . . . . . . A 27 CYS N . 34729 1 112 . 1 . 1 12 12 LYS H H 1 9.787 0.000 . . . . . . A 28 LYS H . 34729 1 113 . 1 . 1 12 12 LYS HA H 1 6.182 0.000 . . . . . . A 28 LYS HA . 34729 1 114 . 1 . 1 12 12 LYS HB2 H 1 1.844 0.000 . . . . . . A 28 LYS HB2 . 34729 1 115 . 1 . 1 12 12 LYS HB3 H 1 2.152 0.000 . . . . . . A 28 LYS HB3 . 34729 1 116 . 1 . 1 12 12 LYS HG2 H 1 1.527 0.000 . . . . . . A 28 LYS HG2 . 34729 1 117 . 1 . 1 12 12 LYS HG3 H 1 1.627 0.000 . . . . . . A 28 LYS HG3 . 34729 1 118 . 1 . 1 12 12 LYS HD2 H 1 1.269 0.000 . . . . . . A 28 LYS HD2 . 34729 1 119 . 1 . 1 12 12 LYS HD3 H 1 1.123 0.000 . . . . . . A 28 LYS HD3 . 34729 1 120 . 1 . 1 12 12 LYS HE2 H 1 2.288 0.000 . . . . . . A 28 LYS HE2 . 34729 1 121 . 1 . 1 12 12 LYS HE3 H 1 1.933 0.000 . . . . . . A 28 LYS HE3 . 34729 1 122 . 1 . 1 12 12 LYS C C 13 175.070 0.000 . . . . . . A 28 LYS C . 34729 1 123 . 1 . 1 12 12 LYS CA C 13 54.920 0.000 . . . . . . A 28 LYS CA . 34729 1 124 . 1 . 1 12 12 LYS CB C 13 37.250 0.000 . . . . . . A 28 LYS CB . 34729 1 125 . 1 . 1 12 12 LYS N N 15 120.260 0.000 . . . . . . A 28 LYS N . 34729 1 126 . 1 . 1 13 13 TYR H H 1 9.130 0.000 . . . . . . A 29 TYR H . 34729 1 127 . 1 . 1 13 13 TYR HA H 1 5.663 0.000 . . . . . . A 29 TYR HA . 34729 1 128 . 1 . 1 13 13 TYR HB2 H 1 3.393 0.000 . . . . . . A 29 TYR HB2 . 34729 1 129 . 1 . 1 13 13 TYR HB3 H 1 3.006 0.000 . . . . . . A 29 TYR HB3 . 34729 1 130 . 1 . 1 13 13 TYR HD1 H 1 6.875 0.000 . . . . . . A 29 TYR HD1 . 34729 1 131 . 1 . 1 13 13 TYR HD2 H 1 6.875 0.000 . . . . . . A 29 TYR HD2 . 34729 1 132 . 1 . 1 13 13 TYR HE1 H 1 6.686 0.000 . . . . . . A 29 TYR HE1 . 34729 1 133 . 1 . 1 13 13 TYR HE2 H 1 6.686 0.000 . . . . . . A 29 TYR HE2 . 34729 1 134 . 1 . 1 13 13 TYR C C 13 172.510 0.000 . . . . . . A 29 TYR C . 34729 1 135 . 1 . 1 13 13 TYR CA C 13 56.260 0.000 . . . . . . A 29 TYR CA . 34729 1 136 . 1 . 1 13 13 TYR CB C 13 41.030 0.000 . . . . . . A 29 TYR CB . 34729 1 137 . 1 . 1 13 13 TYR CD1 C 13 133.900 0.000 . . . . . . A 29 TYR CD1 . 34729 1 138 . 1 . 1 13 13 TYR CD2 C 13 133.900 0.000 . . . . . . A 29 TYR CD2 . 34729 1 139 . 1 . 1 13 13 TYR CE1 C 13 117.800 0.000 . . . . . . A 29 TYR CE1 . 34729 1 140 . 1 . 1 13 13 TYR CE2 C 13 117.800 0.000 . . . . . . A 29 TYR CE2 . 34729 1 141 . 1 . 1 13 13 TYR N N 15 117.480 0.000 . . . . . . A 29 TYR N . 34729 1 142 . 1 . 1 14 14 LEU H H 1 7.695 0.000 . . . . . . A 30 LEU H . 34729 1 143 . 1 . 1 14 14 LEU HA H 1 3.980 0.000 . . . . . . A 30 LEU HA . 34729 1 144 . 1 . 1 14 14 LEU HB2 H 1 0.057 0.000 . . . . . . A 30 LEU HB2 . 34729 1 145 . 1 . 1 14 14 LEU HB3 H 1 1.199 0.000 . . . . . . A 30 LEU HB3 . 34729 1 146 . 1 . 1 14 14 LEU HG H 1 0.518 0.000 . . . . . . A 30 LEU HG . 34729 1 147 . 1 . 1 14 14 LEU HD11 H 1 -0.060 0.000 . . . . . . A 30 LEU HD11 . 34729 1 148 . 1 . 1 14 14 LEU HD12 H 1 -0.060 0.000 . . . . . . A 30 LEU HD12 . 34729 1 149 . 1 . 1 14 14 LEU HD13 H 1 -0.060 0.000 . . . . . . A 30 LEU HD13 . 34729 1 150 . 1 . 1 14 14 LEU HD21 H 1 0.211 0.000 . . . . . . A 30 LEU HD21 . 34729 1 151 . 1 . 1 14 14 LEU HD22 H 1 0.211 0.000 . . . . . . A 30 LEU HD22 . 34729 1 152 . 1 . 1 14 14 LEU HD23 H 1 0.211 0.000 . . . . . . A 30 LEU HD23 . 34729 1 153 . 1 . 1 14 14 LEU C C 13 175.760 0.000 . . . . . . A 30 LEU C . 34729 1 154 . 1 . 1 14 14 LEU CA C 13 53.880 0.000 . . . . . . A 30 LEU CA . 34729 1 155 . 1 . 1 14 14 LEU CB C 13 43.380 0.000 . . . . . . A 30 LEU CB . 34729 1 156 . 1 . 1 14 14 LEU CG C 13 26.320 0.000 . . . . . . A 30 LEU CG . 34729 1 157 . 1 . 1 14 14 LEU CD1 C 13 22.540 0.000 . . . . . . A 30 LEU CD1 . 34729 1 158 . 1 . 1 14 14 LEU CD2 C 13 24.620 0.000 . . . . . . A 30 LEU CD2 . 34729 1 159 . 1 . 1 14 14 LEU N N 15 123.800 0.000 . . . . . . A 30 LEU N . 34729 1 160 . 1 . 1 15 15 GLU H H 1 8.907 0.000 . . . . . . A 31 GLU H . 34729 1 161 . 1 . 1 15 15 GLU HA H 1 4.466 0.000 . . . . . . A 31 GLU HA . 34729 1 162 . 1 . 1 15 15 GLU HB2 H 1 1.987 0.000 . . . . . . A 31 GLU HB2 . 34729 1 163 . 1 . 1 15 15 GLU HB3 H 1 1.960 0.000 . . . . . . A 31 GLU HB3 . 34729 1 164 . 1 . 1 15 15 GLU HG2 H 1 2.100 0.000 . . . . . . A 31 GLU HG2 . 34729 1 165 . 1 . 1 15 15 GLU HG3 H 1 2.259 0.000 . . . . . . A 31 GLU HG3 . 34729 1 166 . 1 . 1 15 15 GLU C C 13 175.850 0.000 . . . . . . A 31 GLU C . 34729 1 167 . 1 . 1 15 15 GLU CA C 13 55.570 0.000 . . . . . . A 31 GLU CA . 34729 1 168 . 1 . 1 15 15 GLU CB C 13 32.750 0.000 . . . . . . A 31 GLU CB . 34729 1 169 . 1 . 1 15 15 GLU CG C 13 36.260 0.000 . . . . . . A 31 GLU CG . 34729 1 170 . 1 . 1 15 15 GLU N N 15 126.710 0.000 . . . . . . A 31 GLU N . 34729 1 171 . 1 . 1 16 16 ASN H H 1 9.444 0.000 . . . . . . A 32 ASN H . 34729 1 172 . 1 . 1 16 16 ASN HA H 1 4.235 0.000 . . . . . . A 32 ASN HA . 34729 1 173 . 1 . 1 16 16 ASN HB2 H 1 3.006 0.000 . . . . . . A 32 ASN HB2 . 34729 1 174 . 1 . 1 16 16 ASN HB3 H 1 2.732 0.000 . . . . . . A 32 ASN HB3 . 34729 1 175 . 1 . 1 16 16 ASN HD21 H 1 7.568 0.000 . . . . . . A 32 ASN HD21 . 34729 1 176 . 1 . 1 16 16 ASN HD22 H 1 6.891 0.000 . . . . . . A 32 ASN HD22 . 34729 1 177 . 1 . 1 16 16 ASN C C 13 174.450 0.000 . . . . . . A 32 ASN C . 34729 1 178 . 1 . 1 16 16 ASN CA C 13 54.860 0.000 . . . . . . A 32 ASN CA . 34729 1 179 . 1 . 1 16 16 ASN CB C 13 37.240 0.000 . . . . . . A 32 ASN CB . 34729 1 180 . 1 . 1 16 16 ASN N N 15 126.770 0.000 . . . . . . A 32 ASN N . 34729 1 181 . 1 . 1 16 16 ASN ND2 N 15 112.840 0.000 . . . . . . A 32 ASN ND2 . 34729 1 182 . 1 . 1 17 17 ASN H H 1 8.675 0.000 . . . . . . A 33 ASN H . 34729 1 183 . 1 . 1 17 17 ASN HA H 1 4.053 0.000 . . . . . . A 33 ASN HA . 34729 1 184 . 1 . 1 17 17 ASN HB2 H 1 3.015 0.000 . . . . . . A 33 ASN HB2 . 34729 1 185 . 1 . 1 17 17 ASN HB3 H 1 2.842 0.000 . . . . . . A 33 ASN HB3 . 34729 1 186 . 1 . 1 17 17 ASN HD21 H 1 7.450 0.000 . . . . . . A 33 ASN HD21 . 34729 1 187 . 1 . 1 17 17 ASN HD22 H 1 6.822 0.000 . . . . . . A 33 ASN HD22 . 34729 1 188 . 1 . 1 17 17 ASN C C 13 173.420 0.000 . . . . . . A 33 ASN C . 34729 1 189 . 1 . 1 17 17 ASN CA C 13 54.810 0.000 . . . . . . A 33 ASN CA . 34729 1 190 . 1 . 1 17 17 ASN CB C 13 38.190 0.000 . . . . . . A 33 ASN CB . 34729 1 191 . 1 . 1 17 17 ASN N N 15 109.430 0.000 . . . . . . A 33 ASN N . 34729 1 192 . 1 . 1 17 17 ASN ND2 N 15 112.630 0.000 . . . . . . A 33 ASN ND2 . 34729 1 193 . 1 . 1 18 18 ARG H H 1 7.668 0.000 . . . . . . A 34 ARG H . 34729 1 194 . 1 . 1 18 18 ARG HA H 1 4.609 0.000 . . . . . . A 34 ARG HA . 34729 1 195 . 1 . 1 18 18 ARG HB2 H 1 1.824 0.000 . . . . . . A 34 ARG HB2 . 34729 1 196 . 1 . 1 18 18 ARG HB3 H 1 1.770 0.000 . . . . . . A 34 ARG HB3 . 34729 1 197 . 1 . 1 18 18 ARG HG2 H 1 1.610 0.000 . . . . . . A 34 ARG HG2 . 34729 1 198 . 1 . 1 18 18 ARG HG3 H 1 1.631 0.000 . . . . . . A 34 ARG HG3 . 34729 1 199 . 1 . 1 18 18 ARG HD2 H 1 3.208 0.000 . . . . . . A 34 ARG HD2 . 34729 1 200 . 1 . 1 18 18 ARG HD3 H 1 3.198 0.000 . . . . . . A 34 ARG HD3 . 34729 1 201 . 1 . 1 18 18 ARG HE H 1 7.142 0.000 . . . . . . A 34 ARG HE . 34729 1 202 . 1 . 1 18 18 ARG C C 13 174.030 0.000 . . . . . . A 34 ARG C . 34729 1 203 . 1 . 1 18 18 ARG CA C 13 54.400 0.000 . . . . . . A 34 ARG CA . 34729 1 204 . 1 . 1 18 18 ARG CB C 13 33.270 0.000 . . . . . . A 34 ARG CB . 34729 1 205 . 1 . 1 18 18 ARG CG C 13 26.870 0.000 . . . . . . A 34 ARG CG . 34729 1 206 . 1 . 1 18 18 ARG CD C 13 43.600 0.000 . . . . . . A 34 ARG CD . 34729 1 207 . 1 . 1 18 18 ARG N N 15 118.960 0.000 . . . . . . A 34 ARG N . 34729 1 208 . 1 . 1 18 18 ARG NE N 15 85.460 0.000 . . . . . . A 34 ARG NE . 34729 1 209 . 1 . 1 19 19 TRP H H 1 8.562 0.000 . . . . . . A 35 TRP H . 34729 1 210 . 1 . 1 19 19 TRP HA H 1 4.840 0.000 . . . . . . A 35 TRP HA . 34729 1 211 . 1 . 1 19 19 TRP HB2 H 1 3.015 0.000 . . . . . . A 35 TRP HB2 . 34729 1 212 . 1 . 1 19 19 TRP HB3 H 1 2.820 0.000 . . . . . . A 35 TRP HB3 . 34729 1 213 . 1 . 1 19 19 TRP HD1 H 1 7.259 0.000 . . . . . . A 35 TRP HD1 . 34729 1 214 . 1 . 1 19 19 TRP HE1 H 1 10.210 0.000 . . . . . . A 35 TRP HE1 . 34729 1 215 . 1 . 1 19 19 TRP HE3 H 1 7.110 0.000 . . . . . . A 35 TRP HE3 . 34729 1 216 . 1 . 1 19 19 TRP HZ2 H 1 7.546 0.000 . . . . . . A 35 TRP HZ2 . 34729 1 217 . 1 . 1 19 19 TRP HZ3 H 1 6.725 0.000 . . . . . . A 35 TRP HZ3 . 34729 1 218 . 1 . 1 19 19 TRP HH2 H 1 7.090 0.000 . . . . . . A 35 TRP HH2 . 34729 1 219 . 1 . 1 19 19 TRP C C 13 176.700 0.000 . . . . . . A 35 TRP C . 34729 1 220 . 1 . 1 19 19 TRP CA C 13 56.970 0.000 . . . . . . A 35 TRP CA . 34729 1 221 . 1 . 1 19 19 TRP CB C 13 29.750 0.000 . . . . . . A 35 TRP CB . 34729 1 222 . 1 . 1 19 19 TRP CD1 C 13 127.600 0.000 . . . . . . A 35 TRP CD1 . 34729 1 223 . 1 . 1 19 19 TRP CE2 C 13 119.400 0.000 . . . . . . A 35 TRP CE2 . 34729 1 224 . 1 . 1 19 19 TRP CE3 C 13 119.400 0.000 . . . . . . A 35 TRP CE3 . 34729 1 225 . 1 . 1 19 19 TRP CZ2 C 13 115.600 0.000 . . . . . . A 35 TRP CZ2 . 34729 1 226 . 1 . 1 19 19 TRP CZ3 C 13 121.200 0.000 . . . . . . A 35 TRP CZ3 . 34729 1 227 . 1 . 1 19 19 TRP CH2 C 13 124.400 0.000 . . . . . . A 35 TRP CH2 . 34729 1 228 . 1 . 1 19 19 TRP N N 15 122.150 0.000 . . . . . . A 35 TRP N . 34729 1 229 . 1 . 1 19 19 TRP NE1 N 15 129.990 0.000 . . . . . . A 35 TRP NE1 . 34729 1 230 . 1 . 1 20 20 VAL H H 1 9.424 0.000 . . . . . . A 36 VAL H . 34729 1 231 . 1 . 1 20 20 VAL HA H 1 4.164 0.000 . . . . . . A 36 VAL HA . 34729 1 232 . 1 . 1 20 20 VAL HB H 1 1.230 0.000 . . . . . . A 36 VAL HB . 34729 1 233 . 1 . 1 20 20 VAL HG11 H 1 0.830 0.000 . . . . . . A 36 VAL HG11 . 34729 1 234 . 1 . 1 20 20 VAL HG12 H 1 0.830 0.000 . . . . . . A 36 VAL HG12 . 34729 1 235 . 1 . 1 20 20 VAL HG13 H 1 0.830 0.000 . . . . . . A 36 VAL HG13 . 34729 1 236 . 1 . 1 20 20 VAL HG21 H 1 0.686 0.000 . . . . . . A 36 VAL HG21 . 34729 1 237 . 1 . 1 20 20 VAL HG22 H 1 0.686 0.000 . . . . . . A 36 VAL HG22 . 34729 1 238 . 1 . 1 20 20 VAL HG23 H 1 0.686 0.000 . . . . . . A 36 VAL HG23 . 34729 1 239 . 1 . 1 20 20 VAL C C 13 174.960 0.000 . . . . . . A 36 VAL C . 34729 1 240 . 1 . 1 20 20 VAL CA C 13 61.500 0.000 . . . . . . A 36 VAL CA . 34729 1 241 . 1 . 1 20 20 VAL CB C 13 33.790 0.000 . . . . . . A 36 VAL CB . 34729 1 242 . 1 . 1 20 20 VAL CG1 C 13 21.500 0.000 . . . . . . A 36 VAL CG1 . 34729 1 243 . 1 . 1 20 20 VAL CG2 C 13 20.800 0.000 . . . . . . A 36 VAL CG2 . 34729 1 244 . 1 . 1 20 20 VAL N N 15 127.530 0.000 . . . . . . A 36 VAL N . 34729 1 245 . 1 . 1 21 21 SER H H 1 8.354 0.000 . . . . . . A 37 SER H . 34729 1 246 . 1 . 1 21 21 SER HA H 1 5.661 0.000 . . . . . . A 37 SER HA . 34729 1 247 . 1 . 1 21 21 SER HB2 H 1 4.011 0.000 . . . . . . A 37 SER HB2 . 34729 1 248 . 1 . 1 21 21 SER HB3 H 1 3.885 0.000 . . . . . . A 37 SER HB3 . 34729 1 249 . 1 . 1 21 21 SER C C 13 174.350 0.000 . . . . . . A 37 SER C . 34729 1 250 . 1 . 1 21 21 SER CA C 13 57.760 0.000 . . . . . . A 37 SER CA . 34729 1 251 . 1 . 1 21 21 SER CB C 13 64.850 0.000 . . . . . . A 37 SER CB . 34729 1 252 . 1 . 1 21 21 SER N N 15 119.400 0.000 . . . . . . A 37 SER N . 34729 1 253 . 1 . 1 22 22 VAL H H 1 9.270 0.000 . . . . . . A 38 VAL H . 34729 1 254 . 1 . 1 22 22 VAL HA H 1 4.695 0.000 . . . . . . A 38 VAL HA . 34729 1 255 . 1 . 1 22 22 VAL HB H 1 2.316 0.000 . . . . . . A 38 VAL HB . 34729 1 256 . 1 . 1 22 22 VAL HG11 H 1 1.057 0.000 . . . . . . A 38 VAL HG11 . 34729 1 257 . 1 . 1 22 22 VAL HG12 H 1 1.057 0.000 . . . . . . A 38 VAL HG12 . 34729 1 258 . 1 . 1 22 22 VAL HG13 H 1 1.057 0.000 . . . . . . A 38 VAL HG13 . 34729 1 259 . 1 . 1 22 22 VAL HG21 H 1 1.035 0.000 . . . . . . A 38 VAL HG21 . 34729 1 260 . 1 . 1 22 22 VAL HG22 H 1 1.035 0.000 . . . . . . A 38 VAL HG22 . 34729 1 261 . 1 . 1 22 22 VAL HG23 H 1 1.035 0.000 . . . . . . A 38 VAL HG23 . 34729 1 262 . 1 . 1 22 22 VAL C C 13 173.420 0.000 . . . . . . A 38 VAL C . 34729 1 263 . 1 . 1 22 22 VAL CA C 13 60.410 0.000 . . . . . . A 38 VAL CA . 34729 1 264 . 1 . 1 22 22 VAL CB C 13 36.270 0.000 . . . . . . A 38 VAL CB . 34729 1 265 . 1 . 1 22 22 VAL CG1 C 13 21.320 0.000 . . . . . . A 38 VAL CG1 . 34729 1 266 . 1 . 1 22 22 VAL CG2 C 13 20.350 0.000 . . . . . . A 38 VAL CG2 . 34729 1 267 . 1 . 1 22 22 VAL N N 15 121.140 0.000 . . . . . . A 38 VAL N . 34729 1 268 . 1 . 1 23 23 SER H H 1 8.473 0.000 . . . . . . A 39 SER H . 34729 1 269 . 1 . 1 23 23 SER HA H 1 5.577 0.000 . . . . . . A 39 SER HA . 34729 1 270 . 1 . 1 23 23 SER HB2 H 1 3.711 0.000 . . . . . . A 39 SER HB2 . 34729 1 271 . 1 . 1 23 23 SER HB3 H 1 3.690 0.000 . . . . . . A 39 SER HB3 . 34729 1 272 . 1 . 1 23 23 SER C C 13 174.640 0.000 . . . . . . A 39 SER C . 34729 1 273 . 1 . 1 23 23 SER CA C 13 56.970 0.000 . . . . . . A 39 SER CA . 34729 1 274 . 1 . 1 23 23 SER CB C 13 64.420 0.000 . . . . . . A 39 SER CB . 34729 1 275 . 1 . 1 23 23 SER N N 15 119.760 0.000 . . . . . . A 39 SER N . 34729 1 276 . 1 . 1 24 24 LYS H H 1 9.178 0.000 . . . . . . A 40 LYS H . 34729 1 277 . 1 . 1 24 24 LYS HA H 1 4.858 0.000 . . . . . . A 40 LYS HA . 34729 1 278 . 1 . 1 24 24 LYS HB2 H 1 1.922 0.000 . . . . . . A 40 LYS HB2 . 34729 1 279 . 1 . 1 24 24 LYS HB3 H 1 1.602 0.000 . . . . . . A 40 LYS HB3 . 34729 1 280 . 1 . 1 24 24 LYS HG2 H 1 1.512 0.000 . . . . . . A 40 LYS HG2 . 34729 1 281 . 1 . 1 24 24 LYS HG3 H 1 1.523 0.000 . . . . . . A 40 LYS HG3 . 34729 1 282 . 1 . 1 24 24 LYS HD2 H 1 1.842 0.000 . . . . . . A 40 LYS HD2 . 34729 1 283 . 1 . 1 24 24 LYS HD3 H 1 1.825 0.000 . . . . . . A 40 LYS HD3 . 34729 1 284 . 1 . 1 24 24 LYS HE2 H 1 3.098 0.000 . . . . . . A 40 LYS HE2 . 34729 1 285 . 1 . 1 24 24 LYS HE3 H 1 2.925 0.000 . . . . . . A 40 LYS HE3 . 34729 1 286 . 1 . 1 24 24 LYS C C 13 174.880 0.000 . . . . . . A 40 LYS C . 34729 1 287 . 1 . 1 24 24 LYS CA C 13 54.540 0.000 . . . . . . A 40 LYS CA . 34729 1 288 . 1 . 1 24 24 LYS CB C 13 36.770 0.000 . . . . . . A 40 LYS CB . 34729 1 289 . 1 . 1 24 24 LYS N N 15 124.480 0.000 . . . . . . A 40 LYS N . 34729 1 290 . 1 . 1 25 25 SER H H 1 8.590 0.000 . . . . . . A 41 SER H . 34729 1 291 . 1 . 1 25 25 SER HA H 1 5.378 0.000 . . . . . . A 41 SER HA . 34729 1 292 . 1 . 1 25 25 SER HB2 H 1 3.791 0.000 . . . . . . A 41 SER HB2 . 34729 1 293 . 1 . 1 25 25 SER HB3 H 1 3.705 0.000 . . . . . . A 41 SER HB3 . 34729 1 294 . 1 . 1 25 25 SER C C 13 173.430 0.000 . . . . . . A 41 SER C . 34729 1 295 . 1 . 1 25 25 SER CA C 13 57.460 0.000 . . . . . . A 41 SER CA . 34729 1 296 . 1 . 1 25 25 SER CB C 13 65.200 0.000 . . . . . . A 41 SER CB . 34729 1 297 . 1 . 1 25 25 SER N N 15 117.600 0.000 . . . . . . A 41 SER N . 34729 1 298 . 1 . 1 26 26 ALA H H 1 8.417 0.000 . . . . . . A 42 ALA H . 34729 1 299 . 1 . 1 26 26 ALA HA H 1 4.505 0.000 . . . . . . A 42 ALA HA . 34729 1 300 . 1 . 1 26 26 ALA HB1 H 1 1.288 0.000 . . . . . . A 42 ALA HB1 . 34729 1 301 . 1 . 1 26 26 ALA HB2 H 1 1.288 0.000 . . . . . . A 42 ALA HB2 . 34729 1 302 . 1 . 1 26 26 ALA HB3 H 1 1.288 0.000 . . . . . . A 42 ALA HB3 . 34729 1 303 . 1 . 1 26 26 ALA C C 13 174.300 0.000 . . . . . . A 42 ALA C . 34729 1 304 . 1 . 1 26 26 ALA CA C 13 51.850 0.000 . . . . . . A 42 ALA CA . 34729 1 305 . 1 . 1 26 26 ALA CB C 13 23.380 0.000 . . . . . . A 42 ALA CB . 34729 1 306 . 1 . 1 26 26 ALA N N 15 122.910 0.000 . . . . . . A 42 ALA N . 34729 1 307 . 1 . 1 27 27 ASN H H 1 8.789 0.000 . . . . . . A 43 ASN H . 34729 1 308 . 1 . 1 27 27 ASN HA H 1 5.218 0.000 . . . . . . A 43 ASN HA . 34729 1 309 . 1 . 1 27 27 ASN HB2 H 1 2.691 0.000 . . . . . . A 43 ASN HB2 . 34729 1 310 . 1 . 1 27 27 ASN HB3 H 1 2.741 0.000 . . . . . . A 43 ASN HB3 . 34729 1 311 . 1 . 1 27 27 ASN HD21 H 1 7.739 0.000 . . . . . . A 43 ASN HD21 . 34729 1 312 . 1 . 1 27 27 ASN HD22 H 1 6.873 0.000 . . . . . . A 43 ASN HD22 . 34729 1 313 . 1 . 1 27 27 ASN C C 13 175.650 0.000 . . . . . . A 43 ASN C . 34729 1 314 . 1 . 1 27 27 ASN CA C 13 51.400 0.000 . . . . . . A 43 ASN CA . 34729 1 315 . 1 . 1 27 27 ASN CB C 13 39.930 0.000 . . . . . . A 43 ASN CB . 34729 1 316 . 1 . 1 27 27 ASN N N 15 118.200 0.000 . . . . . . A 43 ASN N . 34729 1 317 . 1 . 1 27 27 ASN ND2 N 15 113.140 0.000 . . . . . . A 43 ASN ND2 . 34729 1 318 . 1 . 1 28 28 ILE H H 1 9.541 0.000 . . . . . . A 44 ILE H . 34729 1 319 . 1 . 1 28 28 ILE HA H 1 3.346 0.000 . . . . . . A 44 ILE HA . 34729 1 320 . 1 . 1 28 28 ILE HB H 1 1.705 0.000 . . . . . . A 44 ILE HB . 34729 1 321 . 1 . 1 28 28 ILE HG12 H 1 1.193 0.000 . . . . . . A 44 ILE HG12 . 34729 1 322 . 1 . 1 28 28 ILE HG13 H 1 1.689 0.000 . . . . . . A 44 ILE HG13 . 34729 1 323 . 1 . 1 28 28 ILE HG21 H 1 0.754 0.000 . . . . . . A 44 ILE HG21 . 34729 1 324 . 1 . 1 28 28 ILE HG22 H 1 0.754 0.000 . . . . . . A 44 ILE HG22 . 34729 1 325 . 1 . 1 28 28 ILE HG23 H 1 0.754 0.000 . . . . . . A 44 ILE HG23 . 34729 1 326 . 1 . 1 28 28 ILE HD11 H 1 0.961 0.000 . . . . . . A 44 ILE HD11 . 34729 1 327 . 1 . 1 28 28 ILE HD12 H 1 0.961 0.000 . . . . . . A 44 ILE HD12 . 34729 1 328 . 1 . 1 28 28 ILE HD13 H 1 0.961 0.000 . . . . . . A 44 ILE HD13 . 34729 1 329 . 1 . 1 28 28 ILE C C 13 177.940 0.000 . . . . . . A 44 ILE C . 34729 1 330 . 1 . 1 28 28 ILE CA C 13 64.770 0.000 . . . . . . A 44 ILE CA . 34729 1 331 . 1 . 1 28 28 ILE CB C 13 36.940 0.000 . . . . . . A 44 ILE CB . 34729 1 332 . 1 . 1 28 28 ILE CG1 C 13 28.960 0.000 . . . . . . A 44 ILE CG1 . 34729 1 333 . 1 . 1 28 28 ILE CG2 C 13 16.750 0.000 . . . . . . A 44 ILE CG2 . 34729 1 334 . 1 . 1 28 28 ILE CD1 C 13 13.050 0.000 . . . . . . A 44 ILE CD1 . 34729 1 335 . 1 . 1 28 28 ILE N N 15 122.260 0.000 . . . . . . A 44 ILE N . 34729 1 336 . 1 . 1 29 29 GLY H H 1 8.767 0.000 . . . . . . A 45 GLY H . 34729 1 337 . 1 . 1 29 29 GLY HA2 H 1 3.586 0.000 . . . . . . A 45 GLY HA2 . 34729 1 338 . 1 . 1 29 29 GLY HA3 H 1 4.506 0.000 . . . . . . A 45 GLY HA3 . 34729 1 339 . 1 . 1 29 29 GLY C C 13 174.440 0.000 . . . . . . A 45 GLY C . 34729 1 340 . 1 . 1 29 29 GLY CA C 13 44.790 0.000 . . . . . . A 45 GLY CA . 34729 1 341 . 1 . 1 29 29 GLY N N 15 117.620 0.000 . . . . . . A 45 GLY N . 34729 1 342 . 1 . 1 30 30 ASP H H 1 8.071 0.000 . . . . . . A 46 ASP H . 34729 1 343 . 1 . 1 30 30 ASP HA H 1 4.641 0.000 . . . . . . A 46 ASP HA . 34729 1 344 . 1 . 1 30 30 ASP HB2 H 1 2.990 0.000 . . . . . . A 46 ASP HB2 . 34729 1 345 . 1 . 1 30 30 ASP HB3 H 1 2.638 0.000 . . . . . . A 46 ASP HB3 . 34729 1 346 . 1 . 1 30 30 ASP C C 13 175.570 0.000 . . . . . . A 46 ASP C . 34729 1 347 . 1 . 1 30 30 ASP CA C 13 54.550 0.000 . . . . . . A 46 ASP CA . 34729 1 348 . 1 . 1 30 30 ASP CB C 13 41.560 0.000 . . . . . . A 46 ASP CB . 34729 1 349 . 1 . 1 30 30 ASP N N 15 121.320 0.000 . . . . . . A 46 ASP N . 34729 1 350 . 1 . 1 31 31 THR H H 1 8.444 0.000 . . . . . . A 47 THR H . 34729 1 351 . 1 . 1 31 31 THR HA H 1 4.523 0.000 . . . . . . A 47 THR HA . 34729 1 352 . 1 . 1 31 31 THR HB H 1 3.861 0.000 . . . . . . A 47 THR HB . 34729 1 353 . 1 . 1 31 31 THR HG21 H 1 0.676 0.000 . . . . . . A 47 THR HG21 . 34729 1 354 . 1 . 1 31 31 THR HG22 H 1 0.676 0.000 . . . . . . A 47 THR HG22 . 34729 1 355 . 1 . 1 31 31 THR HG23 H 1 0.676 0.000 . . . . . . A 47 THR HG23 . 34729 1 356 . 1 . 1 31 31 THR C C 13 172.610 0.000 . . . . . . A 47 THR C . 34729 1 357 . 1 . 1 31 31 THR CA C 13 62.730 0.000 . . . . . . A 47 THR CA . 34729 1 358 . 1 . 1 31 31 THR CB C 13 69.500 0.000 . . . . . . A 47 THR CB . 34729 1 359 . 1 . 1 31 31 THR CG2 C 13 21.870 0.000 . . . . . . A 47 THR CG2 . 34729 1 360 . 1 . 1 31 31 THR N N 15 115.510 0.000 . . . . . . A 47 THR N . 34729 1 361 . 1 . 1 32 32 LEU H H 1 8.985 0.000 . . . . . . A 48 LEU H . 34729 1 362 . 1 . 1 32 32 LEU HA H 1 4.440 0.000 . . . . . . A 48 LEU HA . 34729 1 363 . 1 . 1 32 32 LEU HB2 H 1 1.159 0.000 . . . . . . A 48 LEU HB2 . 34729 1 364 . 1 . 1 32 32 LEU HB3 H 1 1.592 0.000 . . . . . . A 48 LEU HB3 . 34729 1 365 . 1 . 1 32 32 LEU HG H 1 1.478 0.000 . . . . . . A 48 LEU HG . 34729 1 366 . 1 . 1 32 32 LEU HD11 H 1 0.738 0.000 . . . . . . A 48 LEU HD11 . 34729 1 367 . 1 . 1 32 32 LEU HD12 H 1 0.738 0.000 . . . . . . A 48 LEU HD12 . 34729 1 368 . 1 . 1 32 32 LEU HD13 H 1 0.738 0.000 . . . . . . A 48 LEU HD13 . 34729 1 369 . 1 . 1 32 32 LEU HD21 H 1 0.853 0.000 . . . . . . A 48 LEU HD21 . 34729 1 370 . 1 . 1 32 32 LEU HD22 H 1 0.853 0.000 . . . . . . A 48 LEU HD22 . 34729 1 371 . 1 . 1 32 32 LEU HD23 H 1 0.853 0.000 . . . . . . A 48 LEU HD23 . 34729 1 372 . 1 . 1 32 32 LEU C C 13 174.280 0.000 . . . . . . A 48 LEU C . 34729 1 373 . 1 . 1 32 32 LEU CA C 13 53.550 0.000 . . . . . . A 48 LEU CA . 34729 1 374 . 1 . 1 32 32 LEU CB C 13 45.190 0.000 . . . . . . A 48 LEU CB . 34729 1 375 . 1 . 1 32 32 LEU CG C 13 27.420 0.000 . . . . . . A 48 LEU CG . 34729 1 376 . 1 . 1 32 32 LEU CD1 C 13 26.380 0.000 . . . . . . A 48 LEU CD1 . 34729 1 377 . 1 . 1 32 32 LEU CD2 C 13 25.520 0.000 . . . . . . A 48 LEU CD2 . 34729 1 378 . 1 . 1 32 32 LEU N N 15 130.410 0.000 . . . . . . A 48 LEU N . 34729 1 379 . 1 . 1 33 33 TYR H H 1 8.363 0.000 . . . . . . A 49 TYR H . 34729 1 380 . 1 . 1 33 33 TYR HA H 1 5.178 0.000 . . . . . . A 49 TYR HA . 34729 1 381 . 1 . 1 33 33 TYR HB2 H 1 2.679 0.000 . . . . . . A 49 TYR HB2 . 34729 1 382 . 1 . 1 33 33 TYR HB3 H 1 2.806 0.000 . . . . . . A 49 TYR HB3 . 34729 1 383 . 1 . 1 33 33 TYR HD1 H 1 6.967 0.000 . . . . . . A 49 TYR HD1 . 34729 1 384 . 1 . 1 33 33 TYR HD2 H 1 6.967 0.000 . . . . . . A 49 TYR HD2 . 34729 1 385 . 1 . 1 33 33 TYR HE1 H 1 6.686 0.000 . . . . . . A 49 TYR HE1 . 34729 1 386 . 1 . 1 33 33 TYR HE2 H 1 6.686 0.000 . . . . . . A 49 TYR HE2 . 34729 1 387 . 1 . 1 33 33 TYR C C 13 175.560 0.000 . . . . . . A 49 TYR C . 34729 1 388 . 1 . 1 33 33 TYR CA C 13 56.690 0.000 . . . . . . A 49 TYR CA . 34729 1 389 . 1 . 1 33 33 TYR CB C 13 40.000 0.000 . . . . . . A 49 TYR CB . 34729 1 390 . 1 . 1 33 33 TYR CD1 C 13 133.500 0.000 . . . . . . A 49 TYR CD1 . 34729 1 391 . 1 . 1 33 33 TYR CD2 C 13 133.500 0.000 . . . . . . A 49 TYR CD2 . 34729 1 392 . 1 . 1 33 33 TYR CE1 C 13 117.900 0.000 . . . . . . A 49 TYR CE1 . 34729 1 393 . 1 . 1 33 33 TYR CE2 C 13 117.900 0.000 . . . . . . A 49 TYR CE2 . 34729 1 394 . 1 . 1 33 33 TYR N N 15 124.140 0.000 . . . . . . A 49 TYR N . 34729 1 395 . 1 . 1 34 34 ILE H H 1 8.268 0.000 . . . . . . A 50 ILE H . 34729 1 396 . 1 . 1 34 34 ILE HA H 1 4.158 0.000 . . . . . . A 50 ILE HA . 34729 1 397 . 1 . 1 34 34 ILE HB H 1 1.478 0.000 . . . . . . A 50 ILE HB . 34729 1 398 . 1 . 1 34 34 ILE HG12 H 1 0.854 0.000 . . . . . . A 50 ILE HG12 . 34729 1 399 . 1 . 1 34 34 ILE HG13 H 1 1.273 0.000 . . . . . . A 50 ILE HG13 . 34729 1 400 . 1 . 1 34 34 ILE HG21 H 1 0.500 0.000 . . . . . . A 50 ILE HG21 . 34729 1 401 . 1 . 1 34 34 ILE HG22 H 1 0.500 0.000 . . . . . . A 50 ILE HG22 . 34729 1 402 . 1 . 1 34 34 ILE HG23 H 1 0.500 0.000 . . . . . . A 50 ILE HG23 . 34729 1 403 . 1 . 1 34 34 ILE HD11 H 1 0.904 0.000 . . . . . . A 50 ILE HD11 . 34729 1 404 . 1 . 1 34 34 ILE HD12 H 1 0.904 0.000 . . . . . . A 50 ILE HD12 . 34729 1 405 . 1 . 1 34 34 ILE HD13 H 1 0.904 0.000 . . . . . . A 50 ILE HD13 . 34729 1 406 . 1 . 1 34 34 ILE C C 13 173.500 0.000 . . . . . . A 50 ILE C . 34729 1 407 . 1 . 1 34 34 ILE CA C 13 58.960 0.000 . . . . . . A 50 ILE CA . 34729 1 408 . 1 . 1 34 34 ILE CB C 13 40.350 0.000 . . . . . . A 50 ILE CB . 34729 1 409 . 1 . 1 34 34 ILE CG1 C 13 28.510 0.000 . . . . . . A 50 ILE CG1 . 34729 1 410 . 1 . 1 34 34 ILE CG2 C 13 16.120 0.000 . . . . . . A 50 ILE CG2 . 34729 1 411 . 1 . 1 34 34 ILE CD1 C 13 14.980 0.000 . . . . . . A 50 ILE CD1 . 34729 1 412 . 1 . 1 34 34 ILE N N 15 120.540 0.000 . . . . . . A 50 ILE N . 34729 1 413 . 1 . 1 35 35 MET H H 1 8.812 0.000 . . . . . . A 51 MET H . 34729 1 414 . 1 . 1 35 35 MET HA H 1 3.831 0.000 . . . . . . A 51 MET HA . 34729 1 415 . 1 . 1 35 35 MET HB2 H 1 1.527 0.000 . . . . . . A 51 MET HB2 . 34729 1 416 . 1 . 1 35 35 MET HB3 H 1 2.109 0.000 . . . . . . A 51 MET HB3 . 34729 1 417 . 1 . 1 35 35 MET HG2 H 1 2.199 0.000 . . . . . . A 51 MET HG2 . 34729 1 418 . 1 . 1 35 35 MET HG3 H 1 2.614 0.000 . . . . . . A 51 MET HG3 . 34729 1 419 . 1 . 1 35 35 MET HE1 H 1 2.055 0.000 . . . . . . A 51 MET HE1 . 34729 1 420 . 1 . 1 35 35 MET HE2 H 1 2.055 0.000 . . . . . . A 51 MET HE2 . 34729 1 421 . 1 . 1 35 35 MET HE3 H 1 2.055 0.000 . . . . . . A 51 MET HE3 . 34729 1 422 . 1 . 1 35 35 MET C C 13 174.900 0.000 . . . . . . A 51 MET C . 34729 1 423 . 1 . 1 35 35 MET CA C 13 54.780 0.000 . . . . . . A 51 MET CA . 34729 1 424 . 1 . 1 35 35 MET CB C 13 30.170 0.000 . . . . . . A 51 MET CB . 34729 1 425 . 1 . 1 35 35 MET CG C 13 33.110 0.000 . . . . . . A 51 MET CG . 34729 1 426 . 1 . 1 35 35 MET CE C 13 17.320 0.000 . . . . . . A 51 MET CE . 34729 1 427 . 1 . 1 35 35 MET N N 15 125.890 0.000 . . . . . . A 51 MET N . 34729 1 428 . 1 . 1 36 36 GLY H H 1 7.921 0.000 . . . . . . A 52 GLY H . 34729 1 429 . 1 . 1 36 36 GLY HA2 H 1 3.628 0.000 . . . . . . A 52 GLY HA2 . 34729 1 430 . 1 . 1 36 36 GLY HA3 H 1 3.582 0.000 . . . . . . A 52 GLY HA3 . 34729 1 431 . 1 . 1 36 36 GLY C C 13 173.780 0.000 . . . . . . A 52 GLY C . 34729 1 432 . 1 . 1 36 36 GLY CA C 13 45.200 0.000 . . . . . . A 52 GLY CA . 34729 1 433 . 1 . 1 36 36 GLY N N 15 105.570 0.000 . . . . . . A 52 GLY N . 34729 1 434 . 1 . 1 37 37 HIS H H 1 7.797 0.000 . . . . . . A 53 HIS H . 34729 1 435 . 1 . 1 37 37 HIS HA H 1 4.690 0.000 . . . . . . A 53 HIS HA . 34729 1 436 . 1 . 1 37 37 HIS HB2 H 1 1.895 0.000 . . . . . . A 53 HIS HB2 . 34729 1 437 . 1 . 1 37 37 HIS HB3 H 1 2.190 0.000 . . . . . . A 53 HIS HB3 . 34729 1 438 . 1 . 1 37 37 HIS HD2 H 1 5.960 0.000 . . . . . . A 53 HIS HD2 . 34729 1 439 . 1 . 1 37 37 HIS HE1 H 1 8.599 0.000 . . . . . . A 53 HIS HE1 . 34729 1 440 . 1 . 1 37 37 HIS C C 13 173.520 0.000 . . . . . . A 53 HIS C . 34729 1 441 . 1 . 1 37 37 HIS CA C 13 52.630 0.000 . . . . . . A 53 HIS CA . 34729 1 442 . 1 . 1 37 37 HIS CB C 13 28.710 0.000 . . . . . . A 53 HIS CB . 34729 1 443 . 1 . 1 37 37 HIS CD2 C 13 121.000 0.000 . . . . . . A 53 HIS CD2 . 34729 1 444 . 1 . 1 37 37 HIS CE1 C 13 136.000 0.000 . . . . . . A 53 HIS CE1 . 34729 1 445 . 1 . 1 37 37 HIS N N 15 119.020 0.000 . . . . . . A 53 HIS N . 34729 1 446 . 1 . 1 38 38 SER H H 1 8.475 0.000 . . . . . . A 54 SER H . 34729 1 447 . 1 . 1 38 38 SER HA H 1 5.370 0.000 . . . . . . A 54 SER HA . 34729 1 448 . 1 . 1 38 38 SER HB2 H 1 3.231 0.000 . . . . . . A 54 SER HB2 . 34729 1 449 . 1 . 1 38 38 SER HB3 H 1 3.423 0.000 . . . . . . A 54 SER HB3 . 34729 1 450 . 1 . 1 38 38 SER C C 13 173.640 0.000 . . . . . . A 54 SER C . 34729 1 451 . 1 . 1 38 38 SER CA C 13 56.390 0.000 . . . . . . A 54 SER CA . 34729 1 452 . 1 . 1 38 38 SER CB C 13 66.410 0.000 . . . . . . A 54 SER CB . 34729 1 453 . 1 . 1 38 38 SER N N 15 114.290 0.000 . . . . . . A 54 SER N . 34729 1 454 . 1 . 1 39 39 THR H H 1 8.523 0.000 . . . . . . A 55 THR H . 34729 1 455 . 1 . 1 39 39 THR HA H 1 4.783 0.000 . . . . . . A 55 THR HA . 34729 1 456 . 1 . 1 39 39 THR HB H 1 4.406 0.000 . . . . . . A 55 THR HB . 34729 1 457 . 1 . 1 39 39 THR HG1 H 1 5.140 0.000 . . . . . . A 55 THR HG1 . 34729 1 458 . 1 . 1 39 39 THR HG21 H 1 1.278 0.000 . . . . . . A 55 THR HG21 . 34729 1 459 . 1 . 1 39 39 THR HG22 H 1 1.278 0.000 . . . . . . A 55 THR HG22 . 34729 1 460 . 1 . 1 39 39 THR HG23 H 1 1.278 0.000 . . . . . . A 55 THR HG23 . 34729 1 461 . 1 . 1 39 39 THR C C 13 171.010 0.000 . . . . . . A 55 THR C . 34729 1 462 . 1 . 1 39 39 THR CA C 13 60.430 0.000 . . . . . . A 55 THR CA . 34729 1 463 . 1 . 1 39 39 THR CB C 13 70.140 0.000 . . . . . . A 55 THR CB . 34729 1 464 . 1 . 1 39 39 THR CG2 C 13 19.290 0.000 . . . . . . A 55 THR CG2 . 34729 1 465 . 1 . 1 39 39 THR N N 15 115.020 0.000 . . . . . . A 55 THR N . 34729 1 466 . 1 . 1 40 40 LYS H H 1 8.299 0.000 . . . . . . A 56 LYS H . 34729 1 467 . 1 . 1 40 40 LYS HA H 1 4.891 0.000 . . . . . . A 56 LYS HA . 34729 1 468 . 1 . 1 40 40 LYS HB2 H 1 1.554 0.000 . . . . . . A 56 LYS HB2 . 34729 1 469 . 1 . 1 40 40 LYS HB3 H 1 1.624 0.000 . . . . . . A 56 LYS HB3 . 34729 1 470 . 1 . 1 40 40 LYS HG2 H 1 1.291 0.000 . . . . . . A 56 LYS HG2 . 34729 1 471 . 1 . 1 40 40 LYS HG3 H 1 1.272 0.000 . . . . . . A 56 LYS HG3 . 34729 1 472 . 1 . 1 40 40 LYS HD2 H 1 1.583 0.000 . . . . . . A 56 LYS HD2 . 34729 1 473 . 1 . 1 40 40 LYS HD3 H 1 1.550 0.000 . . . . . . A 56 LYS HD3 . 34729 1 474 . 1 . 1 40 40 LYS HE2 H 1 2.906 0.000 . . . . . . A 56 LYS HE2 . 34729 1 475 . 1 . 1 40 40 LYS HE3 H 1 2.904 0.000 . . . . . . A 56 LYS HE3 . 34729 1 476 . 1 . 1 40 40 LYS C C 13 176.240 0.000 . . . . . . A 56 LYS C . 34729 1 477 . 1 . 1 40 40 LYS CA C 13 55.660 0.000 . . . . . . A 56 LYS CA . 34729 1 478 . 1 . 1 40 40 LYS CB C 13 34.040 0.000 . . . . . . A 56 LYS CB . 34729 1 479 . 1 . 1 40 40 LYS N N 15 127.580 0.000 . . . . . . A 56 LYS N . 34729 1 480 . 1 . 1 41 41 ILE H H 1 8.349 0.000 . . . . . . A 57 ILE H . 34729 1 481 . 1 . 1 41 41 ILE HA H 1 3.746 0.000 . . . . . . A 57 ILE HA . 34729 1 482 . 1 . 1 41 41 ILE HB H 1 2.237 0.000 . . . . . . A 57 ILE HB . 34729 1 483 . 1 . 1 41 41 ILE HG12 H 1 1.009 0.000 . . . . . . A 57 ILE HG12 . 34729 1 484 . 1 . 1 41 41 ILE HG13 H 1 1.515 0.000 . . . . . . A 57 ILE HG13 . 34729 1 485 . 1 . 1 41 41 ILE HG21 H 1 0.777 0.000 . . . . . . A 57 ILE HG21 . 34729 1 486 . 1 . 1 41 41 ILE HG22 H 1 0.777 0.000 . . . . . . A 57 ILE HG22 . 34729 1 487 . 1 . 1 41 41 ILE HG23 H 1 0.777 0.000 . . . . . . A 57 ILE HG23 . 34729 1 488 . 1 . 1 41 41 ILE HD11 H 1 0.504 0.000 . . . . . . A 57 ILE HD11 . 34729 1 489 . 1 . 1 41 41 ILE HD12 H 1 0.504 0.000 . . . . . . A 57 ILE HD12 . 34729 1 490 . 1 . 1 41 41 ILE HD13 H 1 0.504 0.000 . . . . . . A 57 ILE HD13 . 34729 1 491 . 1 . 1 41 41 ILE C C 13 176.500 0.000 . . . . . . A 57 ILE C . 34729 1 492 . 1 . 1 41 41 ILE CA C 13 59.260 0.000 . . . . . . A 57 ILE CA . 34729 1 493 . 1 . 1 41 41 ILE CB C 13 34.990 0.000 . . . . . . A 57 ILE CB . 34729 1 494 . 1 . 1 41 41 ILE CG1 C 13 25.820 0.000 . . . . . . A 57 ILE CG1 . 34729 1 495 . 1 . 1 41 41 ILE CG2 C 13 18.330 0.000 . . . . . . A 57 ILE CG2 . 34729 1 496 . 1 . 1 41 41 ILE CD1 C 13 9.740 0.000 . . . . . . A 57 ILE CD1 . 34729 1 497 . 1 . 1 41 41 ILE N N 15 123.570 0.000 . . . . . . A 57 ILE N . 34729 1 498 . 1 . 1 42 42 GLY H H 1 7.975 0.000 . . . . . . A 58 GLY H . 34729 1 499 . 1 . 1 42 42 GLY HA2 H 1 4.466 0.000 . . . . . . A 58 GLY HA2 . 34729 1 500 . 1 . 1 42 42 GLY HA3 H 1 3.680 0.000 . . . . . . A 58 GLY HA3 . 34729 1 501 . 1 . 1 42 42 GLY C C 13 172.040 0.000 . . . . . . A 58 GLY C . 34729 1 502 . 1 . 1 42 42 GLY CA C 13 43.700 0.000 . . . . . . A 58 GLY CA . 34729 1 503 . 1 . 1 42 42 GLY N N 15 118.260 0.000 . . . . . . A 58 GLY N . 34729 1 504 . 1 . 1 43 43 ARG H H 1 8.071 0.000 . . . . . . A 59 ARG H . 34729 1 505 . 1 . 1 43 43 ARG HA H 1 3.939 0.000 . . . . . . A 59 ARG HA . 34729 1 506 . 1 . 1 43 43 ARG HB2 H 1 1.798 0.000 . . . . . . A 59 ARG HB2 . 34729 1 507 . 1 . 1 43 43 ARG HB3 H 1 1.763 0.000 . . . . . . A 59 ARG HB3 . 34729 1 508 . 1 . 1 43 43 ARG HG2 H 1 1.648 0.000 . . . . . . A 59 ARG HG2 . 34729 1 509 . 1 . 1 43 43 ARG HG3 H 1 1.624 0.000 . . . . . . A 59 ARG HG3 . 34729 1 510 . 1 . 1 43 43 ARG HD2 H 1 3.226 0.000 . . . . . . A 59 ARG HD2 . 34729 1 511 . 1 . 1 43 43 ARG HD3 H 1 3.214 0.000 . . . . . . A 59 ARG HD3 . 34729 1 512 . 1 . 1 43 43 ARG HE H 1 7.198 0.000 . . . . . . A 59 ARG HE . 34729 1 513 . 1 . 1 43 43 ARG C C 13 178.940 0.000 . . . . . . A 59 ARG C . 34729 1 514 . 1 . 1 43 43 ARG CA C 13 58.000 0.000 . . . . . . A 59 ARG CA . 34729 1 515 . 1 . 1 43 43 ARG CB C 13 30.020 0.000 . . . . . . A 59 ARG CB . 34729 1 516 . 1 . 1 43 43 ARG CG C 13 27.390 0.000 . . . . . . A 59 ARG CG . 34729 1 517 . 1 . 1 43 43 ARG CD C 13 43.340 0.000 . . . . . . A 59 ARG CD . 34729 1 518 . 1 . 1 43 43 ARG N N 15 117.140 0.000 . . . . . . A 59 ARG N . 34729 1 519 . 1 . 1 43 43 ARG NE N 15 84.440 0.000 . . . . . . A 59 ARG NE . 34729 1 520 . 1 . 1 44 44 GLY H H 1 9.173 0.000 . . . . . . A 60 GLY H . 34729 1 521 . 1 . 1 44 44 GLY HA2 H 1 3.951 0.000 . . . . . . A 60 GLY HA2 . 34729 1 522 . 1 . 1 44 44 GLY HA3 H 1 3.877 0.000 . . . . . . A 60 GLY HA3 . 34729 1 523 . 1 . 1 44 44 GLY C C 13 174.210 0.000 . . . . . . A 60 GLY C . 34729 1 524 . 1 . 1 44 44 GLY CA C 13 46.370 0.000 . . . . . . A 60 GLY CA . 34729 1 525 . 1 . 1 44 44 GLY N N 15 113.980 0.000 . . . . . . A 60 GLY N . 34729 1 526 . 1 . 1 45 45 CYS H H 1 7.840 0.000 . . . . . . A 61 CYS H . 34729 1 527 . 1 . 1 45 45 CYS HA H 1 3.809 0.000 . . . . . . A 61 CYS HA . 34729 1 528 . 1 . 1 45 45 CYS HB2 H 1 4.107 0.000 . . . . . . A 61 CYS HB2 . 34729 1 529 . 1 . 1 45 45 CYS HB3 H 1 3.370 0.000 . . . . . . A 61 CYS HB3 . 34729 1 530 . 1 . 1 45 45 CYS C C 13 171.100 0.000 . . . . . . A 61 CYS C . 34729 1 531 . 1 . 1 45 45 CYS CA C 13 58.250 0.000 . . . . . . A 61 CYS CA . 34729 1 532 . 1 . 1 45 45 CYS CB C 13 38.890 0.000 . . . . . . A 61 CYS CB . 34729 1 533 . 1 . 1 45 45 CYS N N 15 107.790 0.000 . . . . . . A 61 CYS N . 34729 1 534 . 1 . 1 46 46 LYS H H 1 6.410 0.000 . . . . . . A 62 LYS H . 34729 1 535 . 1 . 1 46 46 LYS HA H 1 2.728 0.000 . . . . . . A 62 LYS HA . 34729 1 536 . 1 . 1 46 46 LYS HB2 H 1 1.555 0.000 . . . . . . A 62 LYS HB2 . 34729 1 537 . 1 . 1 46 46 LYS HB3 H 1 1.371 0.000 . . . . . . A 62 LYS HB3 . 34729 1 538 . 1 . 1 46 46 LYS HG2 H 1 0.454 0.000 . . . . . . A 62 LYS HG2 . 34729 1 539 . 1 . 1 46 46 LYS HG3 H 1 0.934 0.000 . . . . . . A 62 LYS HG3 . 34729 1 540 . 1 . 1 46 46 LYS HD2 H 1 1.456 0.000 . . . . . . A 62 LYS HD2 . 34729 1 541 . 1 . 1 46 46 LYS HD3 H 1 1.466 0.000 . . . . . . A 62 LYS HD3 . 34729 1 542 . 1 . 1 46 46 LYS HE2 H 1 2.950 0.000 . . . . . . A 62 LYS HE2 . 34729 1 543 . 1 . 1 46 46 LYS HE3 H 1 2.833 0.000 . . . . . . A 62 LYS HE3 . 34729 1 544 . 1 . 1 46 46 LYS C C 13 175.430 0.000 . . . . . . A 62 LYS C . 34729 1 545 . 1 . 1 46 46 LYS CA C 13 53.910 0.000 . . . . . . A 62 LYS CA . 34729 1 546 . 1 . 1 46 46 LYS CB C 13 33.460 0.000 . . . . . . A 62 LYS CB . 34729 1 547 . 1 . 1 46 46 LYS N N 15 118.290 0.000 . . . . . . A 62 LYS N . 34729 1 548 . 1 . 1 47 47 PRO HA H 1 4.765 0.000 . . . . . . A 63 PRO HA . 34729 1 549 . 1 . 1 47 47 PRO HB2 H 1 1.899 0.000 . . . . . . A 63 PRO HB2 . 34729 1 550 . 1 . 1 47 47 PRO HB3 H 1 1.620 0.000 . . . . . . A 63 PRO HB3 . 34729 1 551 . 1 . 1 47 47 PRO HG2 H 1 1.438 0.000 . . . . . . A 63 PRO HG2 . 34729 1 552 . 1 . 1 47 47 PRO HG3 H 1 1.531 0.000 . . . . . . A 63 PRO HG3 . 34729 1 553 . 1 . 1 47 47 PRO HD2 H 1 3.414 0.000 . . . . . . A 63 PRO HD2 . 34729 1 554 . 1 . 1 47 47 PRO HD3 H 1 1.684 0.000 . . . . . . A 63 PRO HD3 . 34729 1 555 . 1 . 1 47 47 PRO C C 13 176.300 0.000 . . . . . . A 63 PRO C . 34729 1 556 . 1 . 1 47 47 PRO CA C 13 61.210 0.000 . . . . . . A 63 PRO CA . 34729 1 557 . 1 . 1 47 47 PRO CB C 13 31.710 0.000 . . . . . . A 63 PRO CB . 34729 1 558 . 1 . 1 47 47 PRO CG C 13 28.370 0.000 . . . . . . A 63 PRO CG . 34729 1 559 . 1 . 1 47 47 PRO CD C 13 50.180 0.000 . . . . . . A 63 PRO CD . 34729 1 560 . 1 . 1 48 48 GLU H H 1 8.172 0.000 . . . . . . A 64 GLU H . 34729 1 561 . 1 . 1 48 48 GLU HA H 1 3.790 0.000 . . . . . . A 64 GLU HA . 34729 1 562 . 1 . 1 48 48 GLU HB2 H 1 2.047 0.000 . . . . . . A 64 GLU HB2 . 34729 1 563 . 1 . 1 48 48 GLU HB3 H 1 2.031 0.000 . . . . . . A 64 GLU HB3 . 34729 1 564 . 1 . 1 48 48 GLU HG2 H 1 2.340 0.000 . . . . . . A 64 GLU HG2 . 34729 1 565 . 1 . 1 48 48 GLU HG3 H 1 2.202 0.000 . . . . . . A 64 GLU HG3 . 34729 1 566 . 1 . 1 48 48 GLU C C 13 176.580 0.000 . . . . . . A 64 GLU C . 34729 1 567 . 1 . 1 48 48 GLU CA C 13 59.530 0.000 . . . . . . A 64 GLU CA . 34729 1 568 . 1 . 1 48 48 GLU CB C 13 29.560 0.000 . . . . . . A 64 GLU CB . 34729 1 569 . 1 . 1 48 48 GLU CG C 13 37.040 0.000 . . . . . . A 64 GLU CG . 34729 1 570 . 1 . 1 48 48 GLU N N 15 122.230 0.000 . . . . . . A 64 GLU N . 34729 1 571 . 1 . 1 49 49 THR H H 1 7.749 0.000 . . . . . . A 65 THR H . 34729 1 572 . 1 . 1 49 49 THR HA H 1 4.131 0.000 . . . . . . A 65 THR HA . 34729 1 573 . 1 . 1 49 49 THR HB H 1 3.596 0.000 . . . . . . A 65 THR HB . 34729 1 574 . 1 . 1 49 49 THR HG21 H 1 0.386 0.000 . . . . . . A 65 THR HG21 . 34729 1 575 . 1 . 1 49 49 THR HG22 H 1 0.386 0.000 . . . . . . A 65 THR HG22 . 34729 1 576 . 1 . 1 49 49 THR HG23 H 1 0.386 0.000 . . . . . . A 65 THR HG23 . 34729 1 577 . 1 . 1 49 49 THR C C 13 171.940 0.000 . . . . . . A 65 THR C . 34729 1 578 . 1 . 1 49 49 THR CA C 13 62.150 0.000 . . . . . . A 65 THR CA . 34729 1 579 . 1 . 1 49 49 THR CB C 13 71.210 0.000 . . . . . . A 65 THR CB . 34729 1 580 . 1 . 1 49 49 THR CG2 C 13 22.060 0.000 . . . . . . A 65 THR CG2 . 34729 1 581 . 1 . 1 49 49 THR N N 15 115.350 0.000 . . . . . . A 65 THR N . 34729 1 582 . 1 . 1 50 50 THR H H 1 8.016 0.000 . . . . . . A 66 THR H . 34729 1 583 . 1 . 1 50 50 THR HA H 1 4.287 0.000 . . . . . . A 66 THR HA . 34729 1 584 . 1 . 1 50 50 THR HB H 1 4.887 0.000 . . . . . . A 66 THR HB . 34729 1 585 . 1 . 1 50 50 THR HG21 H 1 0.777 0.000 . . . . . . A 66 THR HG21 . 34729 1 586 . 1 . 1 50 50 THR HG22 H 1 0.777 0.000 . . . . . . A 66 THR HG22 . 34729 1 587 . 1 . 1 50 50 THR HG23 H 1 0.777 0.000 . . . . . . A 66 THR HG23 . 34729 1 588 . 1 . 1 50 50 THR C C 13 173.800 0.000 . . . . . . A 66 THR C . 34729 1 589 . 1 . 1 50 50 THR CA C 13 60.820 0.000 . . . . . . A 66 THR CA . 34729 1 590 . 1 . 1 50 50 THR CB C 13 70.120 0.000 . . . . . . A 66 THR CB . 34729 1 591 . 1 . 1 50 50 THR CG2 C 13 22.540 0.000 . . . . . . A 66 THR CG2 . 34729 1 592 . 1 . 1 50 50 THR N N 15 108.370 0.000 . . . . . . A 66 THR N . 34729 1 593 . 1 . 1 51 51 GLU H H 1 6.534 0.000 . . . . . . A 67 GLU H . 34729 1 594 . 1 . 1 51 51 GLU HA H 1 4.854 0.000 . . . . . . A 67 GLU HA . 34729 1 595 . 1 . 1 51 51 GLU HB2 H 1 1.932 0.000 . . . . . . A 67 GLU HB2 . 34729 1 596 . 1 . 1 51 51 GLU HB3 H 1 1.783 0.000 . . . . . . A 67 GLU HB3 . 34729 1 597 . 1 . 1 51 51 GLU HG2 H 1 2.314 0.000 . . . . . . A 67 GLU HG2 . 34729 1 598 . 1 . 1 51 51 GLU HG3 H 1 2.264 0.000 . . . . . . A 67 GLU HG3 . 34729 1 599 . 1 . 1 51 51 GLU C C 13 172.820 0.000 . . . . . . A 67 GLU C . 34729 1 600 . 1 . 1 51 51 GLU CA C 13 56.010 0.000 . . . . . . A 67 GLU CA . 34729 1 601 . 1 . 1 51 51 GLU CB C 13 32.380 0.000 . . . . . . A 67 GLU CB . 34729 1 602 . 1 . 1 51 51 GLU CG C 13 34.260 0.000 . . . . . . A 67 GLU CG . 34729 1 603 . 1 . 1 51 51 GLU N N 15 118.870 0.000 . . . . . . A 67 GLU N . 34729 1 604 . 1 . 1 52 52 TRP H H 1 8.925 0.000 . . . . . . A 68 TRP H . 34729 1 605 . 1 . 1 52 52 TRP HA H 1 4.753 0.000 . . . . . . A 68 TRP HA . 34729 1 606 . 1 . 1 52 52 TRP HB2 H 1 3.198 0.000 . . . . . . A 68 TRP HB2 . 34729 1 607 . 1 . 1 52 52 TRP HB3 H 1 2.911 0.000 . . . . . . A 68 TRP HB3 . 34729 1 608 . 1 . 1 52 52 TRP HD1 H 1 6.923 0.000 . . . . . . A 68 TRP HD1 . 34729 1 609 . 1 . 1 52 52 TRP HE1 H 1 9.995 0.000 . . . . . . A 68 TRP HE1 . 34729 1 610 . 1 . 1 52 52 TRP HE3 H 1 7.297 0.000 . . . . . . A 68 TRP HE3 . 34729 1 611 . 1 . 1 52 52 TRP HZ2 H 1 6.994 0.000 . . . . . . A 68 TRP HZ2 . 34729 1 612 . 1 . 1 52 52 TRP HZ3 H 1 6.509 0.000 . . . . . . A 68 TRP HZ3 . 34729 1 613 . 1 . 1 52 52 TRP HH2 H 1 6.639 0.000 . . . . . . A 68 TRP HH2 . 34729 1 614 . 1 . 1 52 52 TRP C C 13 175.950 0.000 . . . . . . A 68 TRP C . 34729 1 615 . 1 . 1 52 52 TRP CA C 13 57.870 0.000 . . . . . . A 68 TRP CA . 34729 1 616 . 1 . 1 52 52 TRP CB C 13 33.450 0.000 . . . . . . A 68 TRP CB . 34729 1 617 . 1 . 1 52 52 TRP CD1 C 13 125.800 0.000 . . . . . . A 68 TRP CD1 . 34729 1 618 . 1 . 1 52 52 TRP CE2 C 13 121.000 0.000 . . . . . . A 68 TRP CE2 . 34729 1 619 . 1 . 1 52 52 TRP CE3 C 13 121.000 0.000 . . . . . . A 68 TRP CE3 . 34729 1 620 . 1 . 1 52 52 TRP CZ2 C 13 113.700 0.000 . . . . . . A 68 TRP CZ2 . 34729 1 621 . 1 . 1 52 52 TRP CZ3 C 13 120.600 0.000 . . . . . . A 68 TRP CZ3 . 34729 1 622 . 1 . 1 52 52 TRP CH2 C 13 124.100 0.000 . . . . . . A 68 TRP CH2 . 34729 1 623 . 1 . 1 52 52 TRP N N 15 123.380 0.000 . . . . . . A 68 TRP N . 34729 1 624 . 1 . 1 52 52 TRP NE1 N 15 128.260 0.000 . . . . . . A 68 TRP NE1 . 34729 1 625 . 1 . 1 53 53 SER H H 1 9.058 0.000 . . . . . . A 69 SER H . 34729 1 626 . 1 . 1 53 53 SER HA H 1 4.066 0.000 . . . . . . A 69 SER HA . 34729 1 627 . 1 . 1 53 53 SER HB2 H 1 4.337 0.000 . . . . . . A 69 SER HB2 . 34729 1 628 . 1 . 1 53 53 SER HB3 H 1 4.050 0.000 . . . . . . A 69 SER HB3 . 34729 1 629 . 1 . 1 53 53 SER C C 13 175.450 0.000 . . . . . . A 69 SER C . 34729 1 630 . 1 . 1 53 53 SER CA C 13 61.680 0.000 . . . . . . A 69 SER CA . 34729 1 631 . 1 . 1 53 53 SER CB C 13 62.910 0.000 . . . . . . A 69 SER CB . 34729 1 632 . 1 . 1 53 53 SER N N 15 115.500 0.000 . . . . . . A 69 SER N . 34729 1 633 . 1 . 1 54 54 ASP H H 1 8.216 0.000 . . . . . . A 70 ASP H . 34729 1 634 . 1 . 1 54 54 ASP HA H 1 4.757 0.000 . . . . . . A 70 ASP HA . 34729 1 635 . 1 . 1 54 54 ASP HB2 H 1 3.261 0.000 . . . . . . A 70 ASP HB2 . 34729 1 636 . 1 . 1 54 54 ASP HB3 H 1 2.561 0.000 . . . . . . A 70 ASP HB3 . 34729 1 637 . 1 . 1 54 54 ASP C C 13 175.120 0.000 . . . . . . A 70 ASP C . 34729 1 638 . 1 . 1 54 54 ASP CA C 13 52.110 0.000 . . . . . . A 70 ASP CA . 34729 1 639 . 1 . 1 54 54 ASP CB C 13 41.230 0.000 . . . . . . A 70 ASP CB . 34729 1 640 . 1 . 1 54 54 ASP N N 15 116.200 0.000 . . . . . . A 70 ASP N . 34729 1 641 . 1 . 1 55 55 ALA H H 1 7.721 0.000 . . . . . . A 71 ALA H . 34729 1 642 . 1 . 1 55 55 ALA HA H 1 5.746 0.000 . . . . . . A 71 ALA HA . 34729 1 643 . 1 . 1 55 55 ALA HB1 H 1 1.566 0.000 . . . . . . A 71 ALA HB1 . 34729 1 644 . 1 . 1 55 55 ALA HB2 H 1 1.566 0.000 . . . . . . A 71 ALA HB2 . 34729 1 645 . 1 . 1 55 55 ALA HB3 H 1 1.566 0.000 . . . . . . A 71 ALA HB3 . 34729 1 646 . 1 . 1 55 55 ALA C C 13 174.730 0.000 . . . . . . A 71 ALA C . 34729 1 647 . 1 . 1 55 55 ALA CA C 13 52.820 0.000 . . . . . . A 71 ALA CA . 34729 1 648 . 1 . 1 55 55 ALA CB C 13 22.550 0.000 . . . . . . A 71 ALA CB . 34729 1 649 . 1 . 1 55 55 ALA N N 15 117.490 0.000 . . . . . . A 71 ALA N . 34729 1 650 . 1 . 1 56 56 GLU H H 1 9.588 0.000 . . . . . . A 72 GLU H . 34729 1 651 . 1 . 1 56 56 GLU HA H 1 5.426 0.000 . . . . . . A 72 GLU HA . 34729 1 652 . 1 . 1 56 56 GLU HB2 H 1 2.204 0.000 . . . . . . A 72 GLU HB2 . 34729 1 653 . 1 . 1 56 56 GLU HB3 H 1 2.120 0.000 . . . . . . A 72 GLU HB3 . 34729 1 654 . 1 . 1 56 56 GLU HG2 H 1 2.519 0.000 . . . . . . A 72 GLU HG2 . 34729 1 655 . 1 . 1 56 56 GLU HG3 H 1 2.276 0.000 . . . . . . A 72 GLU HG3 . 34729 1 656 . 1 . 1 56 56 GLU C C 13 174.990 0.000 . . . . . . A 72 GLU C . 34729 1 657 . 1 . 1 56 56 GLU CA C 13 55.370 0.000 . . . . . . A 72 GLU CA . 34729 1 658 . 1 . 1 56 56 GLU CB C 13 34.260 0.000 . . . . . . A 72 GLU CB . 34729 1 659 . 1 . 1 56 56 GLU CG C 13 35.180 0.000 . . . . . . A 72 GLU CG . 34729 1 660 . 1 . 1 56 56 GLU N N 15 118.510 0.000 . . . . . . A 72 GLU N . 34729 1 661 . 1 . 1 57 57 ILE H H 1 9.487 0.000 . . . . . . A 73 ILE H . 34729 1 662 . 1 . 1 57 57 ILE HA H 1 4.904 0.000 . . . . . . A 73 ILE HA . 34729 1 663 . 1 . 1 57 57 ILE HB H 1 1.878 0.000 . . . . . . A 73 ILE HB . 34729 1 664 . 1 . 1 57 57 ILE HG12 H 1 1.247 0.000 . . . . . . A 73 ILE HG12 . 34729 1 665 . 1 . 1 57 57 ILE HG13 H 1 1.889 0.000 . . . . . . A 73 ILE HG13 . 34729 1 666 . 1 . 1 57 57 ILE HG21 H 1 1.387 0.000 . . . . . . A 73 ILE HG21 . 34729 1 667 . 1 . 1 57 57 ILE HG22 H 1 1.387 0.000 . . . . . . A 73 ILE HG22 . 34729 1 668 . 1 . 1 57 57 ILE HG23 H 1 1.387 0.000 . . . . . . A 73 ILE HG23 . 34729 1 669 . 1 . 1 57 57 ILE HD11 H 1 1.072 0.000 . . . . . . A 73 ILE HD11 . 34729 1 670 . 1 . 1 57 57 ILE HD12 H 1 1.072 0.000 . . . . . . A 73 ILE HD12 . 34729 1 671 . 1 . 1 57 57 ILE HD13 H 1 1.072 0.000 . . . . . . A 73 ILE HD13 . 34729 1 672 . 1 . 1 57 57 ILE C C 13 175.230 0.000 . . . . . . A 73 ILE C . 34729 1 673 . 1 . 1 57 57 ILE CA C 13 61.660 0.000 . . . . . . A 73 ILE CA . 34729 1 674 . 1 . 1 57 57 ILE CB C 13 39.280 0.000 . . . . . . A 73 ILE CB . 34729 1 675 . 1 . 1 57 57 ILE CG1 C 13 27.430 0.000 . . . . . . A 73 ILE CG1 . 34729 1 676 . 1 . 1 57 57 ILE CG2 C 13 19.120 0.000 . . . . . . A 73 ILE CG2 . 34729 1 677 . 1 . 1 57 57 ILE CD1 C 13 15.330 0.000 . . . . . . A 73 ILE CD1 . 34729 1 678 . 1 . 1 57 57 ILE N N 15 126.080 0.000 . . . . . . A 73 ILE N . 34729 1 679 . 1 . 1 58 58 TYR H H 1 8.626 0.000 . . . . . . A 74 TYR H . 34729 1 680 . 1 . 1 58 58 TYR HA H 1 5.066 0.000 . . . . . . A 74 TYR HA . 34729 1 681 . 1 . 1 58 58 TYR HB2 H 1 3.337 0.000 . . . . . . A 74 TYR HB2 . 34729 1 682 . 1 . 1 58 58 TYR HB3 H 1 2.661 0.000 . . . . . . A 74 TYR HB3 . 34729 1 683 . 1 . 1 58 58 TYR HD1 H 1 6.863 0.000 . . . . . . A 74 TYR HD1 . 34729 1 684 . 1 . 1 58 58 TYR HD2 H 1 6.863 0.000 . . . . . . A 74 TYR HD2 . 34729 1 685 . 1 . 1 58 58 TYR HE1 H 1 6.725 0.000 . . . . . . A 74 TYR HE1 . 34729 1 686 . 1 . 1 58 58 TYR HE2 H 1 6.725 0.000 . . . . . . A 74 TYR HE2 . 34729 1 687 . 1 . 1 58 58 TYR C C 13 174.930 0.000 . . . . . . A 74 TYR C . 34729 1 688 . 1 . 1 58 58 TYR CA C 13 56.430 0.000 . . . . . . A 74 TYR CA . 34729 1 689 . 1 . 1 58 58 TYR CB C 13 40.160 0.000 . . . . . . A 74 TYR CB . 34729 1 690 . 1 . 1 58 58 TYR CD1 C 13 133.800 0.000 . . . . . . A 74 TYR CD1 . 34729 1 691 . 1 . 1 58 58 TYR CD2 C 13 133.800 0.000 . . . . . . A 74 TYR CD2 . 34729 1 692 . 1 . 1 58 58 TYR CE1 C 13 118.700 0.000 . . . . . . A 74 TYR CE1 . 34729 1 693 . 1 . 1 58 58 TYR CE2 C 13 118.700 0.000 . . . . . . A 74 TYR CE2 . 34729 1 694 . 1 . 1 58 58 TYR N N 15 122.260 0.000 . . . . . . A 74 TYR N . 34729 1 695 . 1 . 1 59 59 SER H H 1 7.682 0.000 . . . . . . A 75 SER H . 34729 1 696 . 1 . 1 59 59 SER HA H 1 4.305 0.000 . . . . . . A 75 SER HA . 34729 1 697 . 1 . 1 59 59 SER HB2 H 1 3.807 0.000 . . . . . . A 75 SER HB2 . 34729 1 698 . 1 . 1 59 59 SER HB3 H 1 3.474 0.000 . . . . . . A 75 SER HB3 . 34729 1 699 . 1 . 1 59 59 SER C C 13 171.670 0.000 . . . . . . A 75 SER C . 34729 1 700 . 1 . 1 59 59 SER CA C 13 57.970 0.000 . . . . . . A 75 SER CA . 34729 1 701 . 1 . 1 59 59 SER CB C 13 65.310 0.000 . . . . . . A 75 SER CB . 34729 1 702 . 1 . 1 59 59 SER N N 15 117.600 0.000 . . . . . . A 75 SER N . 34729 1 703 . 1 . 1 60 60 TRP H H 1 7.376 0.000 . . . . . . A 76 TRP H . 34729 1 704 . 1 . 1 60 60 TRP HA H 1 4.882 0.000 . . . . . . A 76 TRP HA . 34729 1 705 . 1 . 1 60 60 TRP HB2 H 1 3.278 0.000 . . . . . . A 76 TRP HB2 . 34729 1 706 . 1 . 1 60 60 TRP HB3 H 1 3.452 0.000 . . . . . . A 76 TRP HB3 . 34729 1 707 . 1 . 1 60 60 TRP HD1 H 1 7.053 0.000 . . . . . . A 76 TRP HD1 . 34729 1 708 . 1 . 1 60 60 TRP HE1 H 1 10.020 0.000 . . . . . . A 76 TRP HE1 . 34729 1 709 . 1 . 1 60 60 TRP HE3 H 1 7.174 0.000 . . . . . . A 76 TRP HE3 . 34729 1 710 . 1 . 1 60 60 TRP HZ2 H 1 7.416 0.000 . . . . . . A 76 TRP HZ2 . 34729 1 711 . 1 . 1 60 60 TRP HZ3 H 1 6.998 0.000 . . . . . . A 76 TRP HZ3 . 34729 1 712 . 1 . 1 60 60 TRP HH2 H 1 7.185 0.000 . . . . . . A 76 TRP HH2 . 34729 1 713 . 1 . 1 60 60 TRP C C 13 179.270 0.000 . . . . . . A 76 TRP C . 34729 1 714 . 1 . 1 60 60 TRP CA C 13 59.030 0.000 . . . . . . A 76 TRP CA . 34729 1 715 . 1 . 1 60 60 TRP CB C 13 29.350 0.000 . . . . . . A 76 TRP CB . 34729 1 716 . 1 . 1 60 60 TRP CD1 C 13 126.700 0.000 . . . . . . A 76 TRP CD1 . 34729 1 717 . 1 . 1 60 60 TRP CE2 C 13 120.500 0.000 . . . . . . A 76 TRP CE2 . 34729 1 718 . 1 . 1 60 60 TRP CE3 C 13 120.500 0.000 . . . . . . A 76 TRP CE3 . 34729 1 719 . 1 . 1 60 60 TRP CZ2 C 13 114.400 0.000 . . . . . . A 76 TRP CZ2 . 34729 1 720 . 1 . 1 60 60 TRP CZ3 C 13 121.900 0.000 . . . . . . A 76 TRP CZ3 . 34729 1 721 . 1 . 1 60 60 TRP CH2 C 13 124.200 0.000 . . . . . . A 76 TRP CH2 . 34729 1 722 . 1 . 1 60 60 TRP N N 15 125.990 0.000 . . . . . . A 76 TRP N . 34729 1 723 . 1 . 1 60 60 TRP NE1 N 15 128.450 0.000 . . . . . . A 76 TRP NE1 . 34729 1 stop_ save_