data_50007 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50007 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for proIAPP in DPC Micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-08-31 _Entry.Accession_date 2019-08-31 _Entry.Last_release_date 2019-09-03 _Entry.Original_release_date 2019-09-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Charles DeLisle . F. . . 50007 2 Alexander Malooley . L. . . 50007 3 Indrani Banerjee . . . . 50007 4 Justin Lorieau . L. . . 50007 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Illinois at Chicago' . 50007 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 50007 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 459 50007 '15N chemical shifts' 123 50007 '1H chemical shifts' 550 50007 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 . . 2020-10-23 2019-08-31 update BMRB 'update entry citation' 50007 1 . . 2020-02-21 2019-08-31 original author 'original release' 50007 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50007 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32077246 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Pro-Islet Amyloid Polypeptide in Micelles Contains a Helical Prohormone Segment ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume 287 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4440 _Citation.Page_last 4457 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Charles DeLisle . F. . . 50007 1 2 Alexander Malooley . L. . . 50007 1 3 Indrani Banerjee . . . . 50007 1 4 Justin Lorieau . L. . . 50007 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50007 _Assembly.ID 1 _Assembly.Name proIAPP-K4D _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 8070 _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 proIAPP-K4D 1 $entity_1 . . yes native no no . . . 50007 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50007 _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 ; TPIESHQVEKRKCNTATCAT QRLANFLVHSSNNFGAILSS TNVGSNTYGKRNAVEVLKRE PLNYLPLKKKKD ; _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 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . THR . 50007 1 2 . PRO . 50007 1 3 . ILE . 50007 1 4 . GLU . 50007 1 5 . SER . 50007 1 6 . HIS . 50007 1 7 . GLN . 50007 1 8 . VAL . 50007 1 9 . GLU . 50007 1 10 . LYS . 50007 1 11 . ARG . 50007 1 12 . LYS . 50007 1 13 . CYS . 50007 1 14 . ASN . 50007 1 15 . THR . 50007 1 16 . ALA . 50007 1 17 . THR . 50007 1 18 . CYS . 50007 1 19 . ALA . 50007 1 20 . THR . 50007 1 21 . GLN . 50007 1 22 . ARG . 50007 1 23 . LEU . 50007 1 24 . ALA . 50007 1 25 . ASN . 50007 1 26 . PHE . 50007 1 27 . LEU . 50007 1 28 . VAL . 50007 1 29 . HIS . 50007 1 30 . SER . 50007 1 31 . SER . 50007 1 32 . ASN . 50007 1 33 . ASN . 50007 1 34 . PHE . 50007 1 35 . GLY . 50007 1 36 . ALA . 50007 1 37 . ILE . 50007 1 38 . LEU . 50007 1 39 . SER . 50007 1 40 . SER . 50007 1 41 . THR . 50007 1 42 . ASN . 50007 1 43 . VAL . 50007 1 44 . GLY . 50007 1 45 . SER . 50007 1 46 . ASN . 50007 1 47 . THR . 50007 1 48 . TYR . 50007 1 49 . GLY . 50007 1 50 . LYS . 50007 1 51 . ARG . 50007 1 52 . ASN . 50007 1 53 . ALA . 50007 1 54 . VAL . 50007 1 55 . GLU . 50007 1 56 . VAL . 50007 1 57 . LEU . 50007 1 58 . LYS . 50007 1 59 . ARG . 50007 1 60 . GLU . 50007 1 61 . PRO . 50007 1 62 . LEU . 50007 1 63 . ASN . 50007 1 64 . TYR . 50007 1 65 . LEU . 50007 1 66 . PRO . 50007 1 67 . LEU . 50007 1 68 . LYS . 50007 1 69 . LYS . 50007 1 70 . LYS . 50007 1 71 . LYS . 50007 1 72 . ASP . 50007 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 . THR 1 1 50007 1 . PRO 2 2 50007 1 . ILE 3 3 50007 1 . GLU 4 4 50007 1 . SER 5 5 50007 1 . HIS 6 6 50007 1 . GLN 7 7 50007 1 . VAL 8 8 50007 1 . GLU 9 9 50007 1 . LYS 10 10 50007 1 . ARG 11 11 50007 1 . LYS 12 12 50007 1 . CYS 13 13 50007 1 . ASN 14 14 50007 1 . THR 15 15 50007 1 . ALA 16 16 50007 1 . THR 17 17 50007 1 . CYS 18 18 50007 1 . ALA 19 19 50007 1 . THR 20 20 50007 1 . GLN 21 21 50007 1 . ARG 22 22 50007 1 . LEU 23 23 50007 1 . ALA 24 24 50007 1 . ASN 25 25 50007 1 . PHE 26 26 50007 1 . LEU 27 27 50007 1 . VAL 28 28 50007 1 . HIS 29 29 50007 1 . SER 30 30 50007 1 . SER 31 31 50007 1 . ASN 32 32 50007 1 . ASN 33 33 50007 1 . PHE 34 34 50007 1 . GLY 35 35 50007 1 . ALA 36 36 50007 1 . ILE 37 37 50007 1 . LEU 38 38 50007 1 . SER 39 39 50007 1 . SER 40 40 50007 1 . THR 41 41 50007 1 . ASN 42 42 50007 1 . VAL 43 43 50007 1 . GLY 44 44 50007 1 . SER 45 45 50007 1 . ASN 46 46 50007 1 . THR 47 47 50007 1 . TYR 48 48 50007 1 . GLY 49 49 50007 1 . LYS 50 50 50007 1 . ARG 51 51 50007 1 . ASN 52 52 50007 1 . ALA 53 53 50007 1 . VAL 54 54 50007 1 . GLU 55 55 50007 1 . VAL 56 56 50007 1 . LEU 57 57 50007 1 . LYS 58 58 50007 1 . ARG 59 59 50007 1 . GLU 60 60 50007 1 . PRO 61 61 50007 1 . LEU 62 62 50007 1 . ASN 63 63 50007 1 . TYR 64 64 50007 1 . LEU 65 65 50007 1 . PRO 66 66 50007 1 . LEU 67 67 50007 1 . LYS 68 68 50007 1 . LYS 69 69 50007 1 . LYS 70 70 50007 1 . LYS 71 71 50007 1 . ASP 72 72 50007 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50007 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50007 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50007 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET15b . . . 50007 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50007 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details proIAPP-K4D_pH7.0 _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DPC 'natural abundance' . . . . . . 200 . . mM . . . . 50007 1 2 TRIS 'natural abundance' . . . . . . 30 . . mM . . . . 50007 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50007 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . v/v . . . . 50007 1 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 50007 1 6 proIAPP-K4D '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.0 . . mM 0.2 . . . 50007 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50007 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details proIAPP_pH4.5 _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DPC 'natural abundance' . . . . . . 200 . . mM . . . . 50007 2 2 'sodium acetate' 'natural abundance' . . . . . . 30 . . mM . . . . 50007 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50007 2 4 D2O '[U-100% 2H]' . . . . . . 10 . . v/v . . . . 50007 2 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 50007 2 6 proIAPP-K4D '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.0 . . mM 0.2 . . . 50007 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 50007 _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 7.0 . pH 50007 1 pressure 1 . atm 50007 1 temperature 305 . K 50007 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 50007 _Sample_condition_list.ID 2 _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 4.5 . pH 50007 2 pressure 1 . atm 50007 2 temperature 305 . K 50007 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50007 _Software.ID 1 _Software.Type . _Software.Name software_1 _Software.Version . _Software.DOI . _Software.Details CARA loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 50007 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50007 1 . 'peak picking' 50007 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50007 _Software.ID 2 _Software.Type . _Software.Name software_2 _Software.Version . _Software.DOI . _Software.Details NMRPipe loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 50007 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 50007 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50007 _Software.ID 3 _Software.Type . _Software.Name software_3 _Software.Version . _Software.DOI . _Software.Details TOPSPIN loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50007 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50007 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50007 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details av500hd _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50007 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50007 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50007 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50007 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50007 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50007 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50007 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50007 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50007 1 9 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50007 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50007 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50007 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 50007 _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 internal direct 0.251449530 . . . . . 50007 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50007 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal direct 0.101329118 . . . . . 50007 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 50007 _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_pH7.0 _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' . . . 50007 1 2 '3D HNCO' . . . 50007 1 3 '3D HNCA' . . . 50007 1 4 '3D CBCA(CO)NH' . . . 50007 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO C C 13 176.723 0.3 . 1 . . . . . 2 PRO C . 50007 1 2 . 1 . 1 2 2 PRO CA C 13 63.244 0.3 . 1 . . . . . 2 PRO CA . 50007 1 3 . 1 . 1 2 2 PRO CB C 13 32.070 0.3 . 1 . . . . . 2 PRO CB . 50007 1 4 . 1 . 1 3 3 ILE H H 1 8.194 0.020 . 1 . . . . . 3 ILE H . 50007 1 5 . 1 . 1 3 3 ILE HA H 1 4.132 0.020 . 1 . . . . . 3 ILE HA . 50007 1 6 . 1 . 1 3 3 ILE HB H 1 1.751 0.020 . 1 . . . . . 3 ILE HB . 50007 1 7 . 1 . 1 3 3 ILE C C 13 176.382 0.3 . 1 . . . . . 3 ILE C . 50007 1 8 . 1 . 1 3 3 ILE CA C 13 61.342 0.3 . 1 . . . . . 3 ILE CA . 50007 1 9 . 1 . 1 3 3 ILE CB C 13 38.646 0.3 . 1 . . . . . 3 ILE CB . 50007 1 10 . 1 . 1 3 3 ILE CG1 C 13 27.359 0.3 . 1 . . . . . 3 ILE CG1 . 50007 1 11 . 1 . 1 3 3 ILE CG2 C 13 17.483 0.3 . 1 . . . . . 3 ILE CG2 . 50007 1 12 . 1 . 1 3 3 ILE CD1 C 13 12.937 0.3 . 1 . . . . . 3 ILE CD1 . 50007 1 13 . 1 . 1 3 3 ILE N N 15 121.105 0.3 . 1 . . . . . 3 ILE N . 50007 1 14 . 1 . 1 4 4 GLU H H 1 8.441 0.020 . 1 . . . . . 4 GLU H . 50007 1 15 . 1 . 1 4 4 GLU HA H 1 4.253 0.020 . 1 . . . . . 4 GLU HA . 50007 1 16 . 1 . 1 4 4 GLU CA C 13 56.620 0.3 . 1 . . . . . 4 GLU CA . 50007 1 17 . 1 . 1 4 4 GLU CB C 13 30.495 0.3 . 1 . . . . . 4 GLU CB . 50007 1 18 . 1 . 1 4 4 GLU CG C 13 36.217 0.3 . 1 . . . . . 4 GLU CG . 50007 1 19 . 1 . 1 4 4 GLU N N 15 124.755 0.3 . 1 . . . . . 4 GLU N . 50007 1 20 . 1 . 1 5 5 SER H H 1 8.295 0.020 . 1 . . . . . 5 SER H . 50007 1 21 . 1 . 1 5 5 SER CA C 13 58.761 0.3 . 1 . . . . . 5 SER CA . 50007 1 22 . 1 . 1 5 5 SER N N 15 116.816 0.3 . 1 . . . . . 5 SER N . 50007 1 23 . 1 . 1 8 8 VAL H H 1 8.051 0.020 . 1 . . . . . 8 VAL H . 50007 1 24 . 1 . 1 8 8 VAL HA H 1 4.168 0.020 . 1 . . . . . 8 VAL HA . 50007 1 25 . 1 . 1 8 8 VAL C C 13 176.239 0.3 . 1 . . . . . 8 VAL C . 50007 1 26 . 1 . 1 8 8 VAL CA C 13 62.802 0.3 . 1 . . . . . 8 VAL CA . 50007 1 27 . 1 . 1 8 8 VAL CB C 13 32.611 0.3 . 1 . . . . . 8 VAL CB . 50007 1 28 . 1 . 1 8 8 VAL CG1 C 13 21.559 0.3 . 1 . . . . . 8 VAL CG1 . 50007 1 29 . 1 . 1 8 8 VAL CG2 C 13 20.618 0.3 . 1 . . . . . 8 VAL CG2 . 50007 1 30 . 1 . 1 8 8 VAL N N 15 121.026 0.3 . 1 . . . . . 8 VAL N . 50007 1 31 . 1 . 1 9 9 GLU H H 1 8.432 0.020 . 1 . . . . . 9 GLU H . 50007 1 32 . 1 . 1 9 9 GLU HA H 1 4.463 0.020 . 1 . . . . . 9 GLU HA . 50007 1 33 . 1 . 1 9 9 GLU HB2 H 1 1.924 0.020 . 2 . . . . . 9 GLU HB2 . 50007 1 34 . 1 . 1 9 9 GLU HB3 H 1 1.839 0.020 . 2 . . . . . 9 GLU HB3 . 50007 1 35 . 1 . 1 9 9 GLU HG2 H 1 2.064 0.020 . 1 . . . . . 9 GLU HG2 . 50007 1 36 . 1 . 1 9 9 GLU HG3 H 1 2.064 0.020 . 1 . . . . . 9 GLU HG3 . 50007 1 37 . 1 . 1 9 9 GLU CA C 13 56.824 0.3 . 1 . . . . . 9 GLU CA . 50007 1 38 . 1 . 1 9 9 GLU CB C 13 29.789 0.3 . 1 . . . . . 9 GLU CB . 50007 1 39 . 1 . 1 9 9 GLU CG C 13 36.216 0.3 . 1 . . . . . 9 GLU CG . 50007 1 40 . 1 . 1 9 9 GLU N N 15 124.205 0.3 . 1 . . . . . 9 GLU N . 50007 1 41 . 1 . 1 15 15 THR H H 1 7.467 0.020 . 1 . . . . . 15 THR H . 50007 1 42 . 1 . 1 15 15 THR C C 13 175.040 0.3 . 1 . . . . . 15 THR C . 50007 1 43 . 1 . 1 15 15 THR CA C 13 60.492 0.3 . 1 . . . . . 15 THR CA . 50007 1 44 . 1 . 1 15 15 THR CB C 13 71.528 0.3 . 1 . . . . . 15 THR CB . 50007 1 45 . 1 . 1 15 15 THR N N 15 108.414 0.3 . 1 . . . . . 15 THR N . 50007 1 46 . 1 . 1 16 16 ALA H H 1 9.364 0.020 . 1 . . . . . 16 ALA H . 50007 1 47 . 1 . 1 16 16 ALA C C 13 180.024 0.3 . 1 . . . . . 16 ALA C . 50007 1 48 . 1 . 1 16 16 ALA CA C 13 55.571 0.3 . 1 . . . . . 16 ALA CA . 50007 1 49 . 1 . 1 16 16 ALA CB C 13 18.433 0.3 . 1 . . . . . 16 ALA CB . 50007 1 50 . 1 . 1 16 16 ALA N N 15 123.611 0.3 . 1 . . . . . 16 ALA N . 50007 1 51 . 1 . 1 17 17 THR H H 1 8.315 0.020 . 1 . . . . . 17 THR H . 50007 1 52 . 1 . 1 17 17 THR HB H 1 4.360 0.020 . 1 . . . . . 17 THR HB . 50007 1 53 . 1 . 1 17 17 THR HG21 H 1 1.365 0.020 . 1 . . . . . 17 THR HG2 . 50007 1 54 . 1 . 1 17 17 THR HG22 H 1 1.365 0.020 . 1 . . . . . 17 THR HG2 . 50007 1 55 . 1 . 1 17 17 THR HG23 H 1 1.365 0.020 . 1 . . . . . 17 THR HG2 . 50007 1 56 . 1 . 1 17 17 THR C C 13 175.920 0.3 . 1 . . . . . 17 THR C . 50007 1 57 . 1 . 1 17 17 THR CA C 13 65.663 0.3 . 1 . . . . . 17 THR CA . 50007 1 58 . 1 . 1 17 17 THR CB C 13 68.660 0.3 . 1 . . . . . 17 THR CB . 50007 1 59 . 1 . 1 17 17 THR N N 15 112.871 0.3 . 1 . . . . . 17 THR N . 50007 1 60 . 1 . 1 18 18 CYS H H 1 8.005 0.020 . 1 . . . . . 18 CYS H . 50007 1 61 . 1 . 1 18 18 CYS HA H 1 4.185 0.020 . 1 . . . . . 18 CYS HA . 50007 1 62 . 1 . 1 18 18 CYS C C 13 176.525 0.3 . 1 . . . . . 18 CYS C . 50007 1 63 . 1 . 1 18 18 CYS CA C 13 58.557 0.3 . 1 . . . . . 18 CYS CA . 50007 1 64 . 1 . 1 18 18 CYS CB C 13 41.547 0.3 . 1 . . . . . 18 CYS CB . 50007 1 65 . 1 . 1 18 18 CYS N N 15 120.610 0.3 . 1 . . . . . 18 CYS N . 50007 1 66 . 1 . 1 19 19 ALA H H 1 8.266 0.020 . 1 . . . . . 19 ALA H . 50007 1 67 . 1 . 1 19 19 ALA HA H 1 4.193 0.020 . 1 . . . . . 19 ALA HA . 50007 1 68 . 1 . 1 19 19 ALA HB1 H 1 1.595 0.020 . 1 . . . . . 19 ALA HB . 50007 1 69 . 1 . 1 19 19 ALA HB2 H 1 1.595 0.020 . 1 . . . . . 19 ALA HB . 50007 1 70 . 1 . 1 19 19 ALA HB3 H 1 1.595 0.020 . 1 . . . . . 19 ALA HB . 50007 1 71 . 1 . 1 19 19 ALA C C 13 179.122 0.3 . 1 . . . . . 19 ALA C . 50007 1 72 . 1 . 1 19 19 ALA CA C 13 55.635 0.3 . 1 . . . . . 19 ALA CA . 50007 1 73 . 1 . 1 19 19 ALA CB C 13 18.502 0.3 . 1 . . . . . 19 ALA CB . 50007 1 74 . 1 . 1 19 19 ALA N N 15 122.812 0.3 . 1 . . . . . 19 ALA N . 50007 1 75 . 1 . 1 20 20 THR H H 1 8.255 0.020 . 1 . . . . . 20 THR H . 50007 1 76 . 1 . 1 20 20 THR HA H 1 3.873 0.020 . 1 . . . . . 20 THR HA . 50007 1 77 . 1 . 1 20 20 THR HB H 1 4.378 0.020 . 1 . . . . . 20 THR HB . 50007 1 78 . 1 . 1 20 20 THR HG21 H 1 1.120 0.020 . 1 . . . . . 20 THR HG2 . 50007 1 79 . 1 . 1 20 20 THR HG22 H 1 1.120 0.020 . 1 . . . . . 20 THR HG2 . 50007 1 80 . 1 . 1 20 20 THR HG23 H 1 1.120 0.020 . 1 . . . . . 20 THR HG2 . 50007 1 81 . 1 . 1 20 20 THR C C 13 176.492 0.3 . 1 . . . . . 20 THR C . 50007 1 82 . 1 . 1 20 20 THR CA C 13 66.607 0.3 . 1 . . . . . 20 THR CA . 50007 1 83 . 1 . 1 20 20 THR CB C 13 68.588 0.3 . 1 . . . . . 20 THR CB . 50007 1 84 . 1 . 1 20 20 THR CG2 C 13 22.020 0.3 . 1 . . . . . 20 THR CG2 . 50007 1 85 . 1 . 1 20 20 THR N N 15 111.088 0.3 . 1 . . . . . 20 THR N . 50007 1 86 . 1 . 1 21 21 GLN H H 1 7.873 0.020 . 1 . . . . . 21 GLN H . 50007 1 87 . 1 . 1 21 21 GLN HA H 1 4.183 0.020 . 1 . . . . . 21 GLN HA . 50007 1 88 . 1 . 1 21 21 GLN HB2 H 1 2.097 0.020 . 1 . . . . . 21 GLN HB2 . 50007 1 89 . 1 . 1 21 21 GLN HB3 H 1 2.097 0.020 . 1 . . . . . 21 GLN HB3 . 50007 1 90 . 1 . 1 21 21 GLN HG2 H 1 2.387 0.020 . 2 . . . . . 21 GLN HG2 . 50007 1 91 . 1 . 1 21 21 GLN HG3 H 1 2.297 0.020 . 2 . . . . . 21 GLN HG3 . 50007 1 92 . 1 . 1 21 21 GLN C C 13 178.385 0.3 . 1 . . . . . 21 GLN C . 50007 1 93 . 1 . 1 21 21 GLN CA C 13 59.134 0.3 . 1 . . . . . 21 GLN CA . 50007 1 94 . 1 . 1 21 21 GLN CB C 13 28.849 0.3 . 1 . . . . . 21 GLN CB . 50007 1 95 . 1 . 1 21 21 GLN CG C 13 34.179 0.3 . 1 . . . . . 21 GLN CG . 50007 1 96 . 1 . 1 21 21 GLN N N 15 121.477 0.3 . 1 . . . . . 21 GLN N . 50007 1 97 . 1 . 1 22 22 ARG H H 1 8.112 0.020 . 1 . . . . . 22 ARG H . 50007 1 98 . 1 . 1 22 22 ARG C C 13 179.485 0.3 . 1 . . . . . 22 ARG C . 50007 1 99 . 1 . 1 22 22 ARG CA C 13 59.134 0.3 . 1 . . . . . 22 ARG CA . 50007 1 100 . 1 . 1 22 22 ARG CB C 13 30.155 0.3 . 1 . . . . . 22 ARG CB . 50007 1 101 . 1 . 1 22 22 ARG N N 15 119.063 0.3 . 1 . . . . . 22 ARG N . 50007 1 102 . 1 . 1 23 23 LEU H H 1 8.216 0.020 . 1 . . . . . 23 LEU H . 50007 1 103 . 1 . 1 23 23 LEU C C 13 177.900 0.3 . 1 . . . . . 23 LEU C . 50007 1 104 . 1 . 1 23 23 LEU CA C 13 58.081 0.3 . 1 . . . . . 23 LEU CA . 50007 1 105 . 1 . 1 23 23 LEU CB C 13 41.702 0.3 . 1 . . . . . 23 LEU CB . 50007 1 106 . 1 . 1 23 23 LEU N N 15 120.542 0.3 . 1 . . . . . 23 LEU N . 50007 1 107 . 1 . 1 24 24 ALA H H 1 8.529 0.020 . 1 . . . . . 24 ALA H . 50007 1 108 . 1 . 1 24 24 ALA C C 13 179.067 0.3 . 1 . . . . . 24 ALA C . 50007 1 109 . 1 . 1 24 24 ALA CA C 13 55.839 0.3 . 1 . . . . . 24 ALA CA . 50007 1 110 . 1 . 1 24 24 ALA CB C 13 18.201 0.3 . 1 . . . . . 24 ALA CB . 50007 1 111 . 1 . 1 24 24 ALA N N 15 121.002 0.3 . 1 . . . . . 24 ALA N . 50007 1 112 . 1 . 1 25 25 ASN H H 1 8.214 0.020 . 1 . . . . . 25 ASN H . 50007 1 113 . 1 . 1 25 25 ASN C C 13 177.361 0.3 . 1 . . . . . 25 ASN C . 50007 1 114 . 1 . 1 25 25 ASN CA C 13 56.144 0.3 . 1 . . . . . 25 ASN CA . 50007 1 115 . 1 . 1 25 25 ASN CB C 13 38.627 0.3 . 1 . . . . . 25 ASN CB . 50007 1 116 . 1 . 1 25 25 ASN N N 15 114.787 0.3 . 1 . . . . . 25 ASN N . 50007 1 117 . 1 . 1 26 26 PHE H H 1 8.051 0.020 . 1 . . . . . 26 PHE H . 50007 1 118 . 1 . 1 26 26 PHE C C 13 177.736 0.3 . 1 . . . . . 26 PHE C . 50007 1 119 . 1 . 1 26 26 PHE CA C 13 60.900 0.3 . 1 . . . . . 26 PHE CA . 50007 1 120 . 1 . 1 26 26 PHE CB C 13 39.439 0.3 . 1 . . . . . 26 PHE CB . 50007 1 121 . 1 . 1 26 26 PHE N N 15 120.227 0.3 . 1 . . . . . 26 PHE N . 50007 1 122 . 1 . 1 27 27 LEU H H 1 8.407 0.020 . 1 . . . . . 27 LEU H . 50007 1 123 . 1 . 1 27 27 LEU C C 13 178.451 0.3 . 1 . . . . . 27 LEU C . 50007 1 124 . 1 . 1 27 27 LEU CA C 13 57.673 0.3 . 1 . . . . . 27 LEU CA . 50007 1 125 . 1 . 1 27 27 LEU CB C 13 41.644 0.3 . 1 . . . . . 27 LEU CB . 50007 1 126 . 1 . 1 27 27 LEU N N 15 119.702 0.3 . 1 . . . . . 27 LEU N . 50007 1 127 . 1 . 1 28 28 VAL H H 1 8.081 0.020 . 1 . . . . . 28 VAL H . 50007 1 128 . 1 . 1 28 28 VAL C C 13 177.680 0.3 . 1 . . . . . 28 VAL C . 50007 1 129 . 1 . 1 28 28 VAL CA C 13 65.656 0.3 . 1 . . . . . 28 VAL CA . 50007 1 130 . 1 . 1 28 28 VAL CB C 13 31.837 0.3 . 1 . . . . . 28 VAL CB . 50007 1 131 . 1 . 1 28 28 VAL N N 15 117.002 0.3 . 1 . . . . . 28 VAL N . 50007 1 132 . 1 . 1 29 29 HIS H H 1 7.868 0.020 . 1 . . . . . 29 HIS H . 50007 1 133 . 1 . 1 29 29 HIS C C 13 177.075 0.3 . 1 . . . . . 29 HIS C . 50007 1 134 . 1 . 1 29 29 HIS CA C 13 58.454 0.3 . 1 . . . . . 29 HIS CA . 50007 1 135 . 1 . 1 29 29 HIS CB C 13 30.561 0.3 . 1 . . . . . 29 HIS CB . 50007 1 136 . 1 . 1 29 29 HIS N N 15 118.260 0.3 . 1 . . . . . 29 HIS N . 50007 1 137 . 1 . 1 30 30 SER H H 1 7.927 0.020 . 1 . . . . . 30 SER H . 50007 1 138 . 1 . 1 30 30 SER C C 13 174.963 0.3 . 1 . . . . . 30 SER C . 50007 1 139 . 1 . 1 30 30 SER CA C 13 60.322 0.3 . 1 . . . . . 30 SER CA . 50007 1 140 . 1 . 1 30 30 SER CB C 13 63.636 0.3 . 1 . . . . . 30 SER CB . 50007 1 141 . 1 . 1 30 30 SER N N 15 114.931 0.3 . 1 . . . . . 30 SER N . 50007 1 142 . 1 . 1 31 31 SER H H 1 7.996 0.020 . 1 . . . . . 31 SER H . 50007 1 143 . 1 . 1 31 31 SER C C 13 175.106 0.3 . 1 . . . . . 31 SER C . 50007 1 144 . 1 . 1 31 31 SER CA C 13 60.119 0.3 . 1 . . . . . 31 SER CA . 50007 1 145 . 1 . 1 31 31 SER CB C 13 63.288 0.3 . 1 . . . . . 31 SER CB . 50007 1 146 . 1 . 1 31 31 SER N N 15 116.255 0.3 . 1 . . . . . 31 SER N . 50007 1 147 . 1 . 1 32 32 ASN H H 1 8.099 0.020 . 1 . . . . . 32 ASN H . 50007 1 148 . 1 . 1 32 32 ASN C C 13 175.733 0.3 . 1 . . . . . 32 ASN C . 50007 1 149 . 1 . 1 32 32 ASN CA C 13 54.579 0.3 . 1 . . . . . 32 ASN CA . 50007 1 150 . 1 . 1 32 32 ASN CB C 13 38.685 0.3 . 1 . . . . . 32 ASN CB . 50007 1 151 . 1 . 1 32 32 ASN N N 15 119.571 0.3 . 1 . . . . . 32 ASN N . 50007 1 152 . 1 . 1 33 33 ASN H H 1 8.133 0.020 . 1 . . . . . 33 ASN H . 50007 1 153 . 1 . 1 33 33 ASN C C 13 175.810 0.3 . 1 . . . . . 33 ASN C . 50007 1 154 . 1 . 1 33 33 ASN CA C 13 53.868 0.3 . 1 . . . . . 33 ASN CA . 50007 1 155 . 1 . 1 33 33 ASN CB C 13 38.801 0.3 . 1 . . . . . 33 ASN CB . 50007 1 156 . 1 . 1 33 33 ASN N N 15 117.356 0.3 . 1 . . . . . 33 ASN N . 50007 1 157 . 1 . 1 34 34 PHE H H 1 8.257 0.020 . 1 . . . . . 34 PHE H . 50007 1 158 . 1 . 1 34 34 PHE C C 13 176.965 0.3 . 1 . . . . . 34 PHE C . 50007 1 159 . 1 . 1 34 34 PHE CA C 13 59.847 0.3 . 1 . . . . . 34 PHE CA . 50007 1 160 . 1 . 1 34 34 PHE CB C 13 38.975 0.3 . 1 . . . . . 34 PHE CB . 50007 1 161 . 1 . 1 34 34 PHE N N 15 119.584 0.3 . 1 . . . . . 34 PHE N . 50007 1 162 . 1 . 1 35 35 GLY H H 1 8.627 0.020 . 1 . . . . . 35 GLY H . 50007 1 163 . 1 . 1 35 35 GLY HA2 H 1 4.119 0.020 . 1 . . . . . 35 GLY HA2 . 50007 1 164 . 1 . 1 35 35 GLY HA3 H 1 4.119 0.020 . 1 . . . . . 35 GLY HA3 . 50007 1 165 . 1 . 1 35 35 GLY C C 13 175.315 0.3 . 1 . . . . . 35 GLY C . 50007 1 166 . 1 . 1 35 35 GLY CA C 13 47.007 0.3 . 1 . . . . . 35 GLY CA . 50007 1 167 . 1 . 1 35 35 GLY N N 15 107.077 0.3 . 1 . . . . . 35 GLY N . 50007 1 168 . 1 . 1 36 36 ALA H H 1 7.903 0.020 . 1 . . . . . 36 ALA H . 50007 1 169 . 1 . 1 36 36 ALA C C 13 179.595 0.3 . 1 . . . . . 36 ALA C . 50007 1 170 . 1 . 1 36 36 ALA CA C 13 53.902 0.3 . 1 . . . . . 36 ALA CA . 50007 1 171 . 1 . 1 36 36 ALA CB C 13 18.607 0.3 . 1 . . . . . 36 ALA CB . 50007 1 172 . 1 . 1 36 36 ALA N N 15 123.018 0.3 . 1 . . . . . 36 ALA N . 50007 1 173 . 1 . 1 37 37 ILE H H 1 7.796 0.020 . 1 . . . . . 37 ILE H . 50007 1 174 . 1 . 1 37 37 ILE C C 13 177.196 0.3 . 1 . . . . . 37 ILE C . 50007 1 175 . 1 . 1 37 37 ILE CA C 13 63.482 0.3 . 1 . . . . . 37 ILE CA . 50007 1 176 . 1 . 1 37 37 ILE CB C 13 38.279 0.3 . 1 . . . . . 37 ILE CB . 50007 1 177 . 1 . 1 37 37 ILE N N 15 117.775 0.3 . 1 . . . . . 37 ILE N . 50007 1 178 . 1 . 1 38 38 LEU H H 1 7.929 0.020 . 1 . . . . . 38 LEU H . 50007 1 179 . 1 . 1 38 38 LEU C C 13 177.768 0.3 . 1 . . . . . 38 LEU C . 50007 1 180 . 1 . 1 38 38 LEU CA C 13 56.144 0.3 . 1 . . . . . 38 LEU CA . 50007 1 181 . 1 . 1 38 38 LEU CB C 13 41.760 0.3 . 1 . . . . . 38 LEU CB . 50007 1 182 . 1 . 1 38 38 LEU N N 15 119.309 0.3 . 1 . . . . . 38 LEU N . 50007 1 183 . 1 . 1 39 39 SER H H 1 7.951 0.020 . 1 . . . . . 39 SER H . 50007 1 184 . 1 . 1 39 39 SER C C 13 175.029 0.3 . 1 . . . . . 39 SER C . 50007 1 185 . 1 . 1 39 39 SER CA C 13 59.575 0.3 . 1 . . . . . 39 SER CA . 50007 1 186 . 1 . 1 39 39 SER CB C 13 63.695 0.3 . 1 . . . . . 39 SER CB . 50007 1 187 . 1 . 1 39 39 SER N N 15 113.175 0.3 . 1 . . . . . 39 SER N . 50007 1 188 . 1 . 1 40 40 SER H H 1 8.029 0.020 . 1 . . . . . 40 SER H . 50007 1 189 . 1 . 1 40 40 SER C C 13 174.655 0.3 . 1 . . . . . 40 SER C . 50007 1 190 . 1 . 1 40 40 SER CA C 13 59.303 0.3 . 1 . . . . . 40 SER CA . 50007 1 191 . 1 . 1 40 40 SER CB C 13 63.927 0.3 . 1 . . . . . 40 SER CB . 50007 1 192 . 1 . 1 40 40 SER N N 15 116.530 0.3 . 1 . . . . . 40 SER N . 50007 1 193 . 1 . 1 41 41 THR H H 1 7.856 0.020 . 1 . . . . . 41 THR H . 50007 1 194 . 1 . 1 41 41 THR C C 13 174.182 0.3 . 1 . . . . . 41 THR C . 50007 1 195 . 1 . 1 41 41 THR CA C 13 62.361 0.3 . 1 . . . . . 41 THR CA . 50007 1 196 . 1 . 1 41 41 THR CB C 13 69.845 0.3 . 1 . . . . . 41 THR CB . 50007 1 197 . 1 . 1 41 41 THR N N 15 114.105 0.3 . 1 . . . . . 41 THR N . 50007 1 198 . 1 . 1 42 42 ASN H H 1 8.437 0.020 . 1 . . . . . 42 ASN H . 50007 1 199 . 1 . 1 42 42 ASN C C 13 175.359 0.3 . 1 . . . . . 42 ASN C . 50007 1 200 . 1 . 1 42 42 ASN CA C 13 53.461 0.3 . 1 . . . . . 42 ASN CA . 50007 1 201 . 1 . 1 42 42 ASN CB C 13 38.801 0.3 . 1 . . . . . 42 ASN CB . 50007 1 202 . 1 . 1 42 42 ASN N N 15 120.344 0.3 . 1 . . . . . 42 ASN N . 50007 1 203 . 1 . 1 43 43 VAL H H 1 8.069 0.020 . 1 . . . . . 43 VAL H . 50007 1 204 . 1 . 1 43 43 VAL C C 13 176.316 0.3 . 1 . . . . . 43 VAL C . 50007 1 205 . 1 . 1 43 43 VAL CA C 13 62.972 0.3 . 1 . . . . . 43 VAL CA . 50007 1 206 . 1 . 1 43 43 VAL CB C 13 32.302 0.3 . 1 . . . . . 43 VAL CB . 50007 1 207 . 1 . 1 43 43 VAL N N 15 119.076 0.3 . 1 . . . . . 43 VAL N . 50007 1 208 . 1 . 1 44 44 GLY H H 1 8.452 0.020 . 1 . . . . . 44 GLY H . 50007 1 209 . 1 . 1 44 44 GLY CA C 13 45.512 0.3 . 1 . . . . . 44 GLY CA . 50007 1 210 . 1 . 1 44 44 GLY N N 15 110.707 0.3 . 1 . . . . . 44 GLY N . 50007 1 211 . 1 . 1 48 48 TYR H H 1 8.118 0.020 . 1 . . . . . 48 TYR H . 50007 1 212 . 1 . 1 48 48 TYR C C 13 176.085 0.3 . 1 . . . . . 48 TYR C . 50007 1 213 . 1 . 1 48 48 TYR CA C 13 58.454 0.3 . 1 . . . . . 48 TYR CA . 50007 1 214 . 1 . 1 48 48 TYR CB C 13 38.685 0.3 . 1 . . . . . 48 TYR CB . 50007 1 215 . 1 . 1 48 48 TYR N N 15 121.196 0.3 . 1 . . . . . 48 TYR N . 50007 1 216 . 1 . 1 49 49 GLY H H 1 8.240 0.020 . 1 . . . . . 49 GLY H . 50007 1 217 . 1 . 1 49 49 GLY C C 13 174.182 0.3 . 1 . . . . . 49 GLY C . 50007 1 218 . 1 . 1 49 49 GLY CA C 13 45.546 0.3 . 1 . . . . . 49 GLY CA . 50007 1 219 . 1 . 1 49 49 GLY N N 15 108.755 0.3 . 1 . . . . . 49 GLY N . 50007 1 220 . 1 . 1 50 50 LYS H H 1 8.209 0.020 . 1 . . . . . 50 LYS H . 50007 1 221 . 1 . 1 50 50 LYS C C 13 176.921 0.3 . 1 . . . . . 50 LYS C . 50007 1 222 . 1 . 1 50 50 LYS CA C 13 57.195 0.3 . 1 . . . . . 50 LYS CA . 50007 1 223 . 1 . 1 50 50 LYS CB C 13 32.766 0.3 . 1 . . . . . 50 LYS CB . 50007 1 224 . 1 . 1 50 50 LYS N N 15 120.621 0.3 . 1 . . . . . 50 LYS N . 50007 1 225 . 1 . 1 51 51 ARG H H 1 8.348 0.020 . 1 . . . . . 51 ARG H . 50007 1 226 . 1 . 1 51 51 ARG CA C 13 57.741 0.3 . 1 . . . . . 51 ARG CA . 50007 1 227 . 1 . 1 51 51 ARG N N 15 120.110 0.3 . 1 . . . . . 51 ARG N . 50007 1 228 . 1 . 1 53 53 ALA H H 1 8.259 0.020 . 1 . . . . . 53 ALA H . 50007 1 229 . 1 . 1 53 53 ALA HB1 H 1 1.291 0.020 . 1 . . . . . 53 ALA HB . 50007 1 230 . 1 . 1 53 53 ALA HB2 H 1 1.291 0.020 . 1 . . . . . 53 ALA HB . 50007 1 231 . 1 . 1 53 53 ALA HB3 H 1 1.291 0.020 . 1 . . . . . 53 ALA HB . 50007 1 232 . 1 . 1 53 53 ALA C C 13 177.889 0.3 . 1 . . . . . 53 ALA C . 50007 1 233 . 1 . 1 53 53 ALA CA C 13 54.276 0.3 . 1 . . . . . 53 ALA CA . 50007 1 234 . 1 . 1 53 53 ALA CB C 13 19.013 0.3 . 1 . . . . . 53 ALA CB . 50007 1 235 . 1 . 1 53 53 ALA N N 15 122.728 0.3 . 1 . . . . . 53 ALA N . 50007 1 236 . 1 . 1 54 54 VAL H H 1 7.960 0.020 . 1 . . . . . 54 VAL H . 50007 1 237 . 1 . 1 54 54 VAL C C 13 176.778 0.3 . 1 . . . . . 54 VAL C . 50007 1 238 . 1 . 1 54 54 VAL CA C 13 64.467 0.3 . 1 . . . . . 54 VAL CA . 50007 1 239 . 1 . 1 54 54 VAL CB C 13 31.837 0.3 . 1 . . . . . 54 VAL CB . 50007 1 240 . 1 . 1 54 54 VAL N N 15 116.137 0.3 . 1 . . . . . 54 VAL N . 50007 1 241 . 1 . 1 55 55 GLU H H 1 7.942 0.020 . 1 . . . . . 55 GLU H . 50007 1 242 . 1 . 1 55 55 GLU C C 13 178.077 0.3 . 1 . . . . . 55 GLU C . 50007 1 243 . 1 . 1 55 55 GLU CA C 13 58.250 0.3 . 1 . . . . . 55 GLU CA . 50007 1 244 . 1 . 1 55 55 GLU CB C 13 29.748 0.3 . 1 . . . . . 55 GLU CB . 50007 1 245 . 1 . 1 55 55 GLU N N 15 120.187 0.3 . 1 . . . . . 55 GLU N . 50007 1 246 . 1 . 1 56 56 VAL H H 1 7.839 0.020 . 1 . . . . . 56 VAL H . 50007 1 247 . 1 . 1 56 56 VAL CA C 13 64.713 0.3 . 1 . . . . . 56 VAL CA . 50007 1 248 . 1 . 1 56 56 VAL CB C 13 32.244 0.3 . 1 . . . . . 56 VAL CB . 50007 1 249 . 1 . 1 56 56 VAL N N 15 118.706 0.3 . 1 . . . . . 56 VAL N . 50007 1 250 . 1 . 1 57 57 LEU H H 1 7.936 0.020 . 1 . . . . . 57 LEU H . 50007 1 251 . 1 . 1 57 57 LEU C C 13 177.086 0.3 . 1 . . . . . 57 LEU C . 50007 1 252 . 1 . 1 57 57 LEU CA C 13 56.483 0.3 . 1 . . . . . 57 LEU CA . 50007 1 253 . 1 . 1 57 57 LEU CB C 13 41.818 0.3 . 1 . . . . . 57 LEU CB . 50007 1 254 . 1 . 1 57 57 LEU N N 15 121.065 0.3 . 1 . . . . . 57 LEU N . 50007 1 255 . 1 . 1 58 58 LYS H H 1 7.859 0.020 . 1 . . . . . 58 LYS H . 50007 1 256 . 1 . 1 58 58 LYS C C 13 176.558 0.3 . 1 . . . . . 58 LYS C . 50007 1 257 . 1 . 1 58 58 LYS CA C 13 57.341 0.3 . 1 . . . . . 58 LYS CA . 50007 1 258 . 1 . 1 58 58 LYS CB C 13 32.940 0.3 . 1 . . . . . 58 LYS CB . 50007 1 259 . 1 . 1 58 58 LYS N N 15 116.945 0.3 . 1 . . . . . 58 LYS N . 50007 1 260 . 1 . 1 59 59 ARG H H 1 7.822 0.020 . 1 . . . . . 59 ARG H . 50007 1 261 . 1 . 1 59 59 ARG C C 13 176.118 0.3 . 1 . . . . . 59 ARG C . 50007 1 262 . 1 . 1 59 59 ARG CA C 13 56.450 0.3 . 1 . . . . . 59 ARG CA . 50007 1 263 . 1 . 1 59 59 ARG CB C 13 31.199 0.3 . 1 . . . . . 59 ARG CB . 50007 1 264 . 1 . 1 59 59 ARG N N 15 119.035 0.3 . 1 . . . . . 59 ARG N . 50007 1 265 . 1 . 1 60 60 GLU H H 1 8.297 0.020 . 1 . . . . . 60 GLU H . 50007 1 266 . 1 . 1 60 60 GLU CA C 13 55.567 0.3 . 1 . . . . . 60 GLU CA . 50007 1 267 . 1 . 1 60 60 GLU N N 15 120.017 0.3 . 1 . . . . . 60 GLU N . 50007 1 268 . 1 . 1 61 61 PRO C C 13 177.240 0.3 . 1 . . . . . 61 PRO C . 50007 1 269 . 1 . 1 61 61 PRO CA C 13 64.603 0.3 . 1 . . . . . 61 PRO CA . 50007 1 270 . 1 . 1 61 61 PRO CB C 13 31.837 0.3 . 1 . . . . . 61 PRO CB . 50007 1 271 . 1 . 1 62 62 LEU H H 1 8.223 0.020 . 1 . . . . . 62 LEU H . 50007 1 272 . 1 . 1 62 62 LEU CA C 13 56.110 0.3 . 1 . . . . . 62 LEU CA . 50007 1 273 . 1 . 1 62 62 LEU N N 15 117.330 0.3 . 1 . . . . . 62 LEU N . 50007 1 274 . 1 . 1 64 64 TYR H H 1 7.799 0.020 . 1 . . . . . 64 TYR H . 50007 1 275 . 1 . 1 64 64 TYR C C 13 174.798 0.3 . 1 . . . . . 64 TYR C . 50007 1 276 . 1 . 1 64 64 TYR CA C 13 58.386 0.3 . 1 . . . . . 64 TYR CA . 50007 1 277 . 1 . 1 64 64 TYR CB C 13 39.265 0.3 . 1 . . . . . 64 TYR CB . 50007 1 278 . 1 . 1 64 64 TYR N N 15 118.058 0.3 . 1 . . . . . 64 TYR N . 50007 1 279 . 1 . 1 65 65 LEU H H 1 7.636 0.020 . 1 . . . . . 65 LEU H . 50007 1 280 . 1 . 1 65 65 LEU CA C 13 52.883 0.3 . 1 . . . . . 65 LEU CA . 50007 1 281 . 1 . 1 65 65 LEU N N 15 120.738 0.3 . 1 . . . . . 65 LEU N . 50007 1 282 . 1 . 1 66 66 PRO C C 13 175.755 0.3 . 1 . . . . . 66 PRO C . 50007 1 283 . 1 . 1 66 66 PRO CA C 13 62.972 0.3 . 1 . . . . . 66 PRO CA . 50007 1 284 . 1 . 1 66 66 PRO CB C 13 30.677 0.3 . 1 . . . . . 66 PRO CB . 50007 1 285 . 1 . 1 67 67 LEU H H 1 7.929 0.020 . 1 . . . . . 67 LEU H . 50007 1 286 . 1 . 1 67 67 LEU C C 13 176.910 0.3 . 1 . . . . . 67 LEU C . 50007 1 287 . 1 . 1 67 67 LEU CA C 13 54.887 0.3 . 1 . . . . . 67 LEU CA . 50007 1 288 . 1 . 1 67 67 LEU CB C 13 42.631 0.3 . 1 . . . . . 67 LEU CB . 50007 1 289 . 1 . 1 67 67 LEU N N 15 120.926 0.3 . 1 . . . . . 67 LEU N . 50007 1 290 . 1 . 1 68 68 LYS H H 1 8.249 0.020 . 1 . . . . . 68 LYS H . 50007 1 291 . 1 . 1 68 68 LYS C C 13 176.206 0.3 . 1 . . . . . 68 LYS C . 50007 1 292 . 1 . 1 68 68 LYS CA C 13 56.042 0.3 . 1 . . . . . 68 LYS CA . 50007 1 293 . 1 . 1 68 68 LYS CB C 13 33.172 0.3 . 1 . . . . . 68 LYS CB . 50007 1 294 . 1 . 1 68 68 LYS N N 15 121.337 0.3 . 1 . . . . . 68 LYS N . 50007 1 295 . 1 . 1 69 69 LYS H H 1 8.309 0.020 . 1 . . . . . 69 LYS H . 50007 1 296 . 1 . 1 69 69 LYS C C 13 176.250 0.3 . 1 . . . . . 69 LYS C . 50007 1 297 . 1 . 1 69 69 LYS CA C 13 56.151 0.3 . 1 . . . . . 69 LYS CA . 50007 1 298 . 1 . 1 69 69 LYS CB C 13 33.288 0.3 . 1 . . . . . 69 LYS CB . 50007 1 299 . 1 . 1 69 69 LYS N N 15 123.227 0.3 . 1 . . . . . 69 LYS N . 50007 1 300 . 1 . 1 70 70 LYS H H 1 8.337 0.020 . 1 . . . . . 70 LYS H . 50007 1 301 . 1 . 1 70 70 LYS CA C 13 56.267 0.3 . 1 . . . . . 70 LYS CA . 50007 1 302 . 1 . 1 70 70 LYS CB C 13 33.390 0.3 . 1 . . . . . 70 LYS CB . 50007 1 303 . 1 . 1 70 70 LYS N N 15 123.548 0.3 . 1 . . . . . 70 LYS N . 50007 1 304 . 1 . 1 71 71 LYS H H 1 8.352 0.020 . 1 . . . . . 71 LYS H . 50007 1 305 . 1 . 1 71 71 LYS C C 13 175.139 0.3 . 1 . . . . . 71 LYS C . 50007 1 306 . 1 . 1 71 71 LYS CA C 13 56.348 0.3 . 1 . . . . . 71 LYS CA . 50007 1 307 . 1 . 1 71 71 LYS CB C 13 33.230 0.3 . 1 . . . . . 71 LYS CB . 50007 1 308 . 1 . 1 71 71 LYS N N 15 123.720 0.3 . 1 . . . . . 71 LYS N . 50007 1 309 . 1 . 1 72 72 ASP H H 1 7.959 0.020 . 1 . . . . . 72 ASP H . 50007 1 310 . 1 . 1 72 72 ASP N N 15 127.514 0.3 . 1 . . . . . 72 ASP N . 50007 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50007 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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_pH4.5 _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 5 '2D 1H-15N HSQC' . . . 50007 2 6 '3D HNCO' . . . 50007 2 7 '3D HNCA' . . . 50007 2 8 '3D CBCA(CO)NH' . . . 50007 2 9 '3D HNCACB' . . . 50007 2 10 '3D 1H-15N NOESY' . . . 50007 2 11 '3D HCCH-TOCSY' . . . 50007 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO HA H 1 4.421 0.020 . 1 . . . . . 2 PRO HA . 50007 2 2 . 1 . 1 2 2 PRO HB2 H 1 1.883 0.020 . 1 . . . . . 2 PRO HB2 . 50007 2 3 . 1 . 1 2 2 PRO HB3 H 1 1.883 0.020 . 1 . . . . . 2 PRO HB3 . 50007 2 4 . 1 . 1 2 2 PRO HG2 H 1 1.983 0.020 . 1 . . . . . 2 PRO HG2 . 50007 2 5 . 1 . 1 2 2 PRO HG3 H 1 1.983 0.020 . 1 . . . . . 2 PRO HG3 . 50007 2 6 . 1 . 1 2 2 PRO HD2 H 1 3.692 0.020 . 2 . . . . . 2 PRO HD2 . 50007 2 7 . 1 . 1 2 2 PRO HD3 H 1 3.862 0.020 . 2 . . . . . 2 PRO HD3 . 50007 2 8 . 1 . 1 2 2 PRO C C 13 176.500 0.3 . 1 . . . . . 2 PRO C . 50007 2 9 . 1 . 1 2 2 PRO CA C 13 63.392 0.3 . 1 . . . . . 2 PRO CA . 50007 2 10 . 1 . 1 2 2 PRO CB C 13 32.120 0.3 . 1 . . . . . 2 PRO CB . 50007 2 11 . 1 . 1 2 2 PRO CG C 13 27.244 0.3 . 1 . . . . . 2 PRO CG . 50007 2 12 . 1 . 1 2 2 PRO CD C 13 50.989 0.3 . 1 . . . . . 2 PRO CD . 50007 2 13 . 1 . 1 3 3 ILE H H 1 8.187 0.020 . 1 . . . . . 3 ILE H . 50007 2 14 . 1 . 1 3 3 ILE HA H 1 4.051 0.020 . 1 . . . . . 3 ILE HA . 50007 2 15 . 1 . 1 3 3 ILE HB H 1 1.885 0.020 . 1 . . . . . 3 ILE HB . 50007 2 16 . 1 . 1 3 3 ILE HG21 H 1 0.886 0.020 . 1 . . . . . 3 ILE HG2 . 50007 2 17 . 1 . 1 3 3 ILE HG22 H 1 0.886 0.020 . 1 . . . . . 3 ILE HG2 . 50007 2 18 . 1 . 1 3 3 ILE HG23 H 1 0.886 0.020 . 1 . . . . . 3 ILE HG2 . 50007 2 19 . 1 . 1 3 3 ILE HD11 H 1 0.674 0.020 . 1 . . . . . 3 ILE HD1 . 50007 2 20 . 1 . 1 3 3 ILE HD12 H 1 0.674 0.020 . 1 . . . . . 3 ILE HD1 . 50007 2 21 . 1 . 1 3 3 ILE HD13 H 1 0.674 0.020 . 1 . . . . . 3 ILE HD1 . 50007 2 22 . 1 . 1 3 3 ILE C C 13 176.266 0.3 . 1 . . . . . 3 ILE C . 50007 2 23 . 1 . 1 3 3 ILE CA C 13 61.537 0.3 . 1 . . . . . 3 ILE CA . 50007 2 24 . 1 . 1 3 3 ILE CB C 13 38.728 0.3 . 1 . . . . . 3 ILE CB . 50007 2 25 . 1 . 1 3 3 ILE CG1 C 13 27.157 0.3 . 1 . . . . . 3 ILE CG1 . 50007 2 26 . 1 . 1 3 3 ILE CG2 C 13 17.486 0.3 . 1 . . . . . 3 ILE CG2 . 50007 2 27 . 1 . 1 3 3 ILE CD1 C 13 12.910 0.3 . 1 . . . . . 3 ILE CD1 . 50007 2 28 . 1 . 1 3 3 ILE N N 15 121.049 0.3 . 1 . . . . . 3 ILE N . 50007 2 29 . 1 . 1 4 4 GLU H H 1 8.360 0.020 . 1 . . . . . 4 GLU H . 50007 2 30 . 1 . 1 4 4 GLU HA H 1 4.294 0.020 . 1 . . . . . 4 GLU HA . 50007 2 31 . 1 . 1 4 4 GLU HB2 H 1 1.978 0.020 . 2 . . . . . 4 GLU HB2 . 50007 2 32 . 1 . 1 4 4 GLU HB3 H 1 1.898 0.020 . 2 . . . . . 4 GLU HB3 . 50007 2 33 . 1 . 1 4 4 GLU C C 13 176.132 0.3 . 1 . . . . . 4 GLU C . 50007 2 34 . 1 . 1 4 4 GLU CA C 13 56.225 0.3 . 1 . . . . . 4 GLU CA . 50007 2 35 . 1 . 1 4 4 GLU CB C 13 30.016 0.3 . 1 . . . . . 4 GLU CB . 50007 2 36 . 1 . 1 4 4 GLU CG C 13 35.533 0.3 . 1 . . . . . 4 GLU CG . 50007 2 37 . 1 . 1 4 4 GLU N N 15 124.832 0.3 . 1 . . . . . 4 GLU N . 50007 2 38 . 1 . 1 5 5 SER H H 1 8.252 0.020 . 1 . . . . . 5 SER H . 50007 2 39 . 1 . 1 5 5 SER HA H 1 4.349 0.020 . 1 . . . . . 5 SER HA . 50007 2 40 . 1 . 1 5 5 SER HB2 H 1 3.792 0.020 . 1 . . . . . 5 SER HB2 . 50007 2 41 . 1 . 1 5 5 SER HB3 H 1 3.792 0.020 . 1 . . . . . 5 SER HB3 . 50007 2 42 . 1 . 1 5 5 SER C C 13 174.468 0.3 . 1 . . . . . 5 SER C . 50007 2 43 . 1 . 1 5 5 SER CA C 13 58.399 0.3 . 1 . . . . . 5 SER CA . 50007 2 44 . 1 . 1 5 5 SER CB C 13 63.812 0.3 . 1 . . . . . 5 SER CB . 50007 2 45 . 1 . 1 5 5 SER N N 15 117.142 0.3 . 1 . . . . . 5 SER N . 50007 2 46 . 1 . 1 6 6 HIS H H 1 8.511 0.020 . 1 . . . . . 6 HIS H . 50007 2 47 . 1 . 1 6 6 HIS HA H 1 4.743 0.020 . 1 . . . . . 6 HIS HA . 50007 2 48 . 1 . 1 6 6 HIS HB2 H 1 3.275 0.020 . 2 . . . . . 6 HIS HB2 . 50007 2 49 . 1 . 1 6 6 HIS HB3 H 1 3.142 0.020 . 2 . . . . . 6 HIS HB3 . 50007 2 50 . 1 . 1 6 6 HIS C C 13 174.216 0.3 . 1 . . . . . 6 HIS C . 50007 2 51 . 1 . 1 6 6 HIS CA C 13 55.351 0.3 . 1 . . . . . 6 HIS CA . 50007 2 52 . 1 . 1 6 6 HIS CB C 13 28.831 0.3 . 1 . . . . . 6 HIS CB . 50007 2 53 . 1 . 1 6 6 HIS N N 15 120.257 0.3 . 1 . . . . . 6 HIS N . 50007 2 54 . 1 . 1 7 7 GLN H H 1 8.332 0.020 . 1 . . . . . 7 GLN H . 50007 2 55 . 1 . 1 7 7 GLN HA H 1 4.320 0.020 . 1 . . . . . 7 GLN HA . 50007 2 56 . 1 . 1 7 7 GLN HB2 H 1 1.943 0.020 . 1 . . . . . 7 GLN HB2 . 50007 2 57 . 1 . 1 7 7 GLN HB3 H 1 1.943 0.020 . 1 . . . . . 7 GLN HB3 . 50007 2 58 . 1 . 1 7 7 GLN HG2 H 1 2.310 0.020 . 1 . . . . . 7 GLN HG2 . 50007 2 59 . 1 . 1 7 7 GLN HG3 H 1 2.310 0.020 . 1 . . . . . 7 GLN HG3 . 50007 2 60 . 1 . 1 7 7 GLN C C 13 175.889 0.3 . 1 . . . . . 7 GLN C . 50007 2 61 . 1 . 1 7 7 GLN CA C 13 56.047 0.3 . 1 . . . . . 7 GLN CA . 50007 2 62 . 1 . 1 7 7 GLN CB C 13 29.226 0.3 . 1 . . . . . 7 GLN CB . 50007 2 63 . 1 . 1 7 7 GLN CG C 13 33.720 0.3 . 1 . . . . . 7 GLN CG . 50007 2 64 . 1 . 1 7 7 GLN N N 15 121.449 0.3 . 1 . . . . . 7 GLN N . 50007 2 65 . 1 . 1 8 8 VAL H H 1 8.163 0.020 . 1 . . . . . 8 VAL H . 50007 2 66 . 1 . 1 8 8 VAL HA H 1 4.041 0.020 . 1 . . . . . 8 VAL HA . 50007 2 67 . 1 . 1 8 8 VAL HB H 1 2.033 0.020 . 1 . . . . . 8 VAL HB . 50007 2 68 . 1 . 1 8 8 VAL HG11 H 1 0.904 0.020 . 1 . . . . . 8 VAL HG1 . 50007 2 69 . 1 . 1 8 8 VAL HG12 H 1 0.904 0.020 . 1 . . . . . 8 VAL HG1 . 50007 2 70 . 1 . 1 8 8 VAL HG13 H 1 0.904 0.020 . 1 . . . . . 8 VAL HG1 . 50007 2 71 . 1 . 1 8 8 VAL HG21 H 1 0.904 0.020 . 1 . . . . . 8 VAL HG2 . 50007 2 72 . 1 . 1 8 8 VAL HG22 H 1 0.904 0.020 . 1 . . . . . 8 VAL HG2 . 50007 2 73 . 1 . 1 8 8 VAL HG23 H 1 0.904 0.020 . 1 . . . . . 8 VAL HG2 . 50007 2 74 . 1 . 1 8 8 VAL C C 13 176.060 0.3 . 1 . . . . . 8 VAL C . 50007 2 75 . 1 . 1 8 8 VAL CA C 13 62.535 0.3 . 1 . . . . . 8 VAL CA . 50007 2 76 . 1 . 1 8 8 VAL CB C 13 32.555 0.3 . 1 . . . . . 8 VAL CB . 50007 2 77 . 1 . 1 8 8 VAL CG1 C 13 21.026 0.3 . 1 . . . . . 8 VAL CG1 . 50007 2 78 . 1 . 1 8 8 VAL CG2 C 13 20.767 0.3 . 1 . . . . . 8 VAL CG2 . 50007 2 79 . 1 . 1 8 8 VAL N N 15 121.529 0.3 . 1 . . . . . 8 VAL N . 50007 2 80 . 1 . 1 9 9 GLU H H 1 8.410 0.020 . 1 . . . . . 9 GLU H . 50007 2 81 . 1 . 1 9 9 GLU HA H 1 4.259 0.020 . 1 . . . . . 9 GLU HA . 50007 2 82 . 1 . 1 9 9 GLU HB2 H 1 2.005 0.020 . 2 . . . . . 9 GLU HB2 . 50007 2 83 . 1 . 1 9 9 GLU HB3 H 1 1.935 0.020 . 2 . . . . . 9 GLU HB3 . 50007 2 84 . 1 . 1 9 9 GLU HG2 H 1 2.270 0.020 . 1 . . . . . 9 GLU HG2 . 50007 2 85 . 1 . 1 9 9 GLU HG3 H 1 2.270 0.020 . 1 . . . . . 9 GLU HG3 . 50007 2 86 . 1 . 1 9 9 GLU C C 13 176.437 0.3 . 1 . . . . . 9 GLU C . 50007 2 87 . 1 . 1 9 9 GLU CA C 13 56.361 0.3 . 1 . . . . . 9 GLU CA . 50007 2 88 . 1 . 1 9 9 GLU CB C 13 30.129 0.3 . 1 . . . . . 9 GLU CB . 50007 2 89 . 1 . 1 9 9 GLU CG C 13 35.630 0.3 . 1 . . . . . 9 GLU CG . 50007 2 90 . 1 . 1 9 9 GLU N N 15 124.716 0.3 . 1 . . . . . 9 GLU N . 50007 2 91 . 1 . 1 10 10 LYS H H 1 8.264 0.020 . 1 . . . . . 10 LYS H . 50007 2 92 . 1 . 1 10 10 LYS HA H 1 4.264 0.020 . 1 . . . . . 10 LYS HA . 50007 2 93 . 1 . 1 10 10 LYS HB2 H 1 1.751 0.020 . 1 . . . . . 10 LYS HB2 . 50007 2 94 . 1 . 1 10 10 LYS HB3 H 1 1.751 0.020 . 1 . . . . . 10 LYS HB3 . 50007 2 95 . 1 . 1 10 10 LYS HG2 H 1 1.426 0.020 . 1 . . . . . 10 LYS HG2 . 50007 2 96 . 1 . 1 10 10 LYS HG3 H 1 1.426 0.020 . 1 . . . . . 10 LYS HG3 . 50007 2 97 . 1 . 1 10 10 LYS HD2 H 1 1.616 0.020 . 1 . . . . . 10 LYS HD2 . 50007 2 98 . 1 . 1 10 10 LYS HD3 H 1 1.616 0.020 . 1 . . . . . 10 LYS HD3 . 50007 2 99 . 1 . 1 10 10 LYS CA C 13 56.090 0.3 . 1 . . . . . 10 LYS CA . 50007 2 100 . 1 . 1 10 10 LYS CB C 13 33.115 0.3 . 1 . . . . . 10 LYS CB . 50007 2 101 . 1 . 1 10 10 LYS CG C 13 24.653 0.3 . 1 . . . . . 10 LYS CG . 50007 2 102 . 1 . 1 10 10 LYS CD C 13 29.057 0.3 . 1 . . . . . 10 LYS CD . 50007 2 103 . 1 . 1 10 10 LYS CE C 13 42.009 0.3 . 1 . . . . . 10 LYS CE . 50007 2 104 . 1 . 1 10 10 LYS N N 15 122.088 0.3 . 1 . . . . . 10 LYS N . 50007 2 105 . 1 . 1 11 11 ARG HA H 1 4.295 0.020 . 1 . . . . . 11 ARG HA . 50007 2 106 . 1 . 1 11 11 ARG HD2 H 1 3.172 0.020 . 1 . . . . . 11 ARG HD2 . 50007 2 107 . 1 . 1 11 11 ARG HD3 H 1 3.172 0.020 . 1 . . . . . 11 ARG HD3 . 50007 2 108 . 1 . 1 11 11 ARG C C 13 176.132 0.3 . 1 . . . . . 11 ARG C . 50007 2 109 . 1 . 1 11 11 ARG CA C 13 56.334 0.3 . 1 . . . . . 11 ARG CA . 50007 2 110 . 1 . 1 11 11 ARG CB C 13 30.676 0.3 . 1 . . . . . 11 ARG CB . 50007 2 111 . 1 . 1 11 11 ARG CG C 13 26.812 0.3 . 1 . . . . . 11 ARG CG . 50007 2 112 . 1 . 1 11 11 ARG CD C 13 43.304 0.3 . 1 . . . . . 11 ARG CD . 50007 2 113 . 1 . 1 12 12 LYS H H 1 8.345 0.020 . 1 . . . . . 12 LYS H . 50007 2 114 . 1 . 1 12 12 LYS HA H 1 4.270 0.020 . 1 . . . . . 12 LYS HA . 50007 2 115 . 1 . 1 12 12 LYS HB2 H 1 1.731 0.020 . 1 . . . . . 12 LYS HB2 . 50007 2 116 . 1 . 1 12 12 LYS HB3 H 1 1.731 0.020 . 1 . . . . . 12 LYS HB3 . 50007 2 117 . 1 . 1 12 12 LYS HG2 H 1 1.403 0.020 . 1 . . . . . 12 LYS HG2 . 50007 2 118 . 1 . 1 12 12 LYS HG3 H 1 1.403 0.020 . 1 . . . . . 12 LYS HG3 . 50007 2 119 . 1 . 1 12 12 LYS HD2 H 1 1.628 0.020 . 1 . . . . . 12 LYS HD2 . 50007 2 120 . 1 . 1 12 12 LYS HD3 H 1 1.628 0.020 . 1 . . . . . 12 LYS HD3 . 50007 2 121 . 1 . 1 12 12 LYS C C 13 176.069 0.3 . 1 . . . . . 12 LYS C . 50007 2 122 . 1 . 1 12 12 LYS CA C 13 56.167 0.3 . 1 . . . . . 12 LYS CA . 50007 2 123 . 1 . 1 12 12 LYS CB C 13 33.232 0.3 . 1 . . . . . 12 LYS CB . 50007 2 124 . 1 . 1 12 12 LYS CG C 13 24.441 0.3 . 1 . . . . . 12 LYS CG . 50007 2 125 . 1 . 1 12 12 LYS CD C 13 29.114 0.3 . 1 . . . . . 12 LYS CD . 50007 2 126 . 1 . 1 12 12 LYS CE C 13 41.923 0.3 . 1 . . . . . 12 LYS CE . 50007 2 127 . 1 . 1 12 12 LYS N N 15 122.856 0.3 . 1 . . . . . 12 LYS N . 50007 2 128 . 1 . 1 13 13 CYS H H 1 8.635 0.020 . 1 . . . . . 13 CYS H . 50007 2 129 . 1 . 1 13 13 CYS HA H 1 4.766 0.020 . 1 . . . . . 13 CYS HA . 50007 2 130 . 1 . 1 13 13 CYS HB2 H 1 3.132 0.020 . 1 . . . . . 13 CYS HB2 . 50007 2 131 . 1 . 1 13 13 CYS HB3 H 1 3.132 0.020 . 1 . . . . . 13 CYS HB3 . 50007 2 132 . 1 . 1 13 13 CYS C C 13 173.866 0.3 . 1 . . . . . 13 CYS C . 50007 2 133 . 1 . 1 13 13 CYS CA C 13 54.655 0.3 . 1 . . . . . 13 CYS CA . 50007 2 134 . 1 . 1 13 13 CYS CB C 13 40.541 0.3 . 1 . . . . . 13 CYS CB . 50007 2 135 . 1 . 1 13 13 CYS N N 15 121.231 0.3 . 1 . . . . . 13 CYS N . 50007 2 136 . 1 . 1 14 14 ASN H H 1 8.638 0.020 . 1 . . . . . 14 ASN H . 50007 2 137 . 1 . 1 14 14 ASN HA H 1 4.901 0.020 . 1 . . . . . 14 ASN HA . 50007 2 138 . 1 . 1 14 14 ASN HB2 H 1 2.785 0.020 . 2 . . . . . 14 ASN HB2 . 50007 2 139 . 1 . 1 14 14 ASN HB3 H 1 2.942 0.020 . 2 . . . . . 14 ASN HB3 . 50007 2 140 . 1 . 1 14 14 ASN C C 13 174.387 0.3 . 1 . . . . . 14 ASN C . 50007 2 141 . 1 . 1 14 14 ASN CA C 13 52.498 0.3 . 1 . . . . . 14 ASN CA . 50007 2 142 . 1 . 1 14 14 ASN CB C 13 39.332 0.3 . 1 . . . . . 14 ASN CB . 50007 2 143 . 1 . 1 14 14 ASN N N 15 122.254 0.3 . 1 . . . . . 14 ASN N . 50007 2 144 . 1 . 1 15 15 THR H H 1 7.470 0.020 . 1 . . . . . 15 THR H . 50007 2 145 . 1 . 1 15 15 THR HA H 1 4.550 0.020 . 1 . . . . . 15 THR HA . 50007 2 146 . 1 . 1 15 15 THR HB H 1 4.658 0.020 . 1 . . . . . 15 THR HB . 50007 2 147 . 1 . 1 15 15 THR HG21 H 1 1.283 0.020 . 1 . . . . . 15 THR HG2 . 50007 2 148 . 1 . 1 15 15 THR HG22 H 1 1.283 0.020 . 1 . . . . . 15 THR HG2 . 50007 2 149 . 1 . 1 15 15 THR HG23 H 1 1.283 0.020 . 1 . . . . . 15 THR HG2 . 50007 2 150 . 1 . 1 15 15 THR C C 13 175.044 0.3 . 1 . . . . . 15 THR C . 50007 2 151 . 1 . 1 15 15 THR CA C 13 60.573 0.3 . 1 . . . . . 15 THR CA . 50007 2 152 . 1 . 1 15 15 THR CB C 13 71.252 0.3 . 1 . . . . . 15 THR CB . 50007 2 153 . 1 . 1 15 15 THR CG2 C 13 21.545 0.3 . 1 . . . . . 15 THR CG2 . 50007 2 154 . 1 . 1 15 15 THR N N 15 108.594 0.3 . 1 . . . . . 15 THR N . 50007 2 155 . 1 . 1 16 16 ALA H H 1 9.374 0.020 . 1 . . . . . 16 ALA H . 50007 2 156 . 1 . 1 16 16 ALA HA H 1 4.071 0.020 . 1 . . . . . 16 ALA HA . 50007 2 157 . 1 . 1 16 16 ALA HB1 H 1 1.493 0.020 . 1 . . . . . 16 ALA HB . 50007 2 158 . 1 . 1 16 16 ALA HB2 H 1 1.493 0.020 . 1 . . . . . 16 ALA HB . 50007 2 159 . 1 . 1 16 16 ALA HB3 H 1 1.493 0.020 . 1 . . . . . 16 ALA HB . 50007 2 160 . 1 . 1 16 16 ALA C C 13 180.088 0.3 . 1 . . . . . 16 ALA C . 50007 2 161 . 1 . 1 16 16 ALA CA C 13 55.376 0.3 . 1 . . . . . 16 ALA CA . 50007 2 162 . 1 . 1 16 16 ALA CB C 13 18.394 0.3 . 1 . . . . . 16 ALA CB . 50007 2 163 . 1 . 1 16 16 ALA N N 15 123.705 0.3 . 1 . . . . . 16 ALA N . 50007 2 164 . 1 . 1 17 17 THR H H 1 8.288 0.020 . 1 . . . . . 17 THR H . 50007 2 165 . 1 . 1 17 17 THR HA H 1 4.011 0.020 . 1 . . . . . 17 THR HA . 50007 2 166 . 1 . 1 17 17 THR HB H 1 4.111 0.020 . 1 . . . . . 17 THR HB . 50007 2 167 . 1 . 1 17 17 THR HG21 H 1 1.213 0.020 . 1 . . . . . 17 THR HG2 . 50007 2 168 . 1 . 1 17 17 THR HG22 H 1 1.213 0.020 . 1 . . . . . 17 THR HG2 . 50007 2 169 . 1 . 1 17 17 THR HG23 H 1 1.213 0.020 . 1 . . . . . 17 THR HG2 . 50007 2 170 . 1 . 1 17 17 THR C C 13 175.943 0.3 . 1 . . . . . 17 THR C . 50007 2 171 . 1 . 1 17 17 THR CA C 13 65.974 0.3 . 1 . . . . . 17 THR CA . 50007 2 172 . 1 . 1 17 17 THR CB C 13 68.551 0.3 . 1 . . . . . 17 THR CB . 50007 2 173 . 1 . 1 17 17 THR CG2 C 13 21.717 0.3 . 1 . . . . . 17 THR CG2 . 50007 2 174 . 1 . 1 17 17 THR N N 15 112.791 0.3 . 1 . . . . . 17 THR N . 50007 2 175 . 1 . 1 18 18 CYS H H 1 7.997 0.020 . 1 . . . . . 18 CYS H . 50007 2 176 . 1 . 1 18 18 CYS HA H 1 4.348 0.020 . 1 . . . . . 18 CYS HA . 50007 2 177 . 1 . 1 18 18 CYS HB2 H 1 3.242 0.020 . 1 . . . . . 18 CYS HB2 . 50007 2 178 . 1 . 1 18 18 CYS HB3 H 1 3.242 0.020 . 1 . . . . . 18 CYS HB3 . 50007 2 179 . 1 . 1 18 18 CYS C C 13 176.620 0.3 . 1 . . . . . 18 CYS C . 50007 2 180 . 1 . 1 18 18 CYS CA C 13 58.740 0.3 . 1 . . . . . 18 CYS CA . 50007 2 181 . 1 . 1 18 18 CYS CB C 13 41.517 0.3 . 1 . . . . . 18 CYS CB . 50007 2 182 . 1 . 1 18 18 CYS N N 15 120.595 0.3 . 1 . . . . . 18 CYS N . 50007 2 183 . 1 . 1 19 19 ALA H H 1 8.238 0.020 . 1 . . . . . 19 ALA H . 50007 2 184 . 1 . 1 19 19 ALA HA H 1 4.009 0.020 . 1 . . . . . 19 ALA HA . 50007 2 185 . 1 . 1 19 19 ALA HB1 H 1 1.475 0.020 . 1 . . . . . 19 ALA HB . 50007 2 186 . 1 . 1 19 19 ALA HB2 H 1 1.475 0.020 . 1 . . . . . 19 ALA HB . 50007 2 187 . 1 . 1 19 19 ALA HB3 H 1 1.475 0.020 . 1 . . . . . 19 ALA HB . 50007 2 188 . 1 . 1 19 19 ALA C C 13 179.144 0.3 . 1 . . . . . 19 ALA C . 50007 2 189 . 1 . 1 19 19 ALA CA C 13 55.682 0.3 . 1 . . . . . 19 ALA CA . 50007 2 190 . 1 . 1 19 19 ALA CB C 13 18.534 0.3 . 1 . . . . . 19 ALA CB . 50007 2 191 . 1 . 1 19 19 ALA N N 15 122.854 0.3 . 1 . . . . . 19 ALA N . 50007 2 192 . 1 . 1 20 20 THR H H 1 8.248 0.020 . 1 . . . . . 20 THR H . 50007 2 193 . 1 . 1 20 20 THR HA H 1 3.834 0.020 . 1 . . . . . 20 THR HA . 50007 2 194 . 1 . 1 20 20 THR HB H 1 4.228 0.020 . 1 . . . . . 20 THR HB . 50007 2 195 . 1 . 1 20 20 THR HG21 H 1 1.243 0.020 . 1 . . . . . 20 THR HG2 . 50007 2 196 . 1 . 1 20 20 THR HG22 H 1 1.243 0.020 . 1 . . . . . 20 THR HG2 . 50007 2 197 . 1 . 1 20 20 THR HG23 H 1 1.243 0.020 . 1 . . . . . 20 THR HG2 . 50007 2 198 . 1 . 1 20 20 THR C C 13 176.545 0.3 . 1 . . . . . 20 THR C . 50007 2 199 . 1 . 1 20 20 THR CA C 13 66.823 0.3 . 1 . . . . . 20 THR CA . 50007 2 200 . 1 . 1 20 20 THR CB C 13 68.345 0.3 . 1 . . . . . 20 THR CB . 50007 2 201 . 1 . 1 20 20 THR CG2 C 13 22.149 0.3 . 1 . . . . . 20 THR CG2 . 50007 2 202 . 1 . 1 20 20 THR N N 15 111.044 0.3 . 1 . . . . . 20 THR N . 50007 2 203 . 1 . 1 21 21 GLN H H 1 7.866 0.020 . 1 . . . . . 21 GLN H . 50007 2 204 . 1 . 1 21 21 GLN HA H 1 4.029 0.020 . 1 . . . . . 21 GLN HA . 50007 2 205 . 1 . 1 21 21 GLN HB2 H 1 2.245 0.020 . 2 . . . . . 21 GLN HB2 . 50007 2 206 . 1 . 1 21 21 GLN HB3 H 1 2.155 0.020 . 2 . . . . . 21 GLN HB3 . 50007 2 207 . 1 . 1 21 21 GLN HG2 H 1 2.520 0.020 . 2 . . . . . 21 GLN HG2 . 50007 2 208 . 1 . 1 21 21 GLN HG3 H 1 2.385 0.020 . 2 . . . . . 21 GLN HG3 . 50007 2 209 . 1 . 1 21 21 GLN HE21 H 1 7.765 0.020 . 1 . . . . . 21 GLN HE21 . 50007 2 210 . 1 . 1 21 21 GLN HE22 H 1 7.520 0.020 . 1 . . . . . 21 GLN HE22 . 50007 2 211 . 1 . 1 21 21 GLN C C 13 178.496 0.3 . 1 . . . . . 21 GLN C . 50007 2 212 . 1 . 1 21 21 GLN CA C 13 59.282 0.3 . 1 . . . . . 21 GLN CA . 50007 2 213 . 1 . 1 21 21 GLN CB C 13 28.411 0.3 . 1 . . . . . 21 GLN CB . 50007 2 214 . 1 . 1 21 21 GLN CG C 13 34.151 0.3 . 1 . . . . . 21 GLN CG . 50007 2 215 . 1 . 1 21 21 GLN N N 15 121.438 0.3 . 1 . . . . . 21 GLN N . 50007 2 216 . 1 . 1 22 22 ARG H H 1 8.067 0.020 . 1 . . . . . 22 ARG H . 50007 2 217 . 1 . 1 22 22 ARG HA H 1 4.151 0.020 . 1 . . . . . 22 ARG HA . 50007 2 218 . 1 . 1 22 22 ARG HB2 H 1 2.013 0.020 . 2 . . . . . 22 ARG HB2 . 50007 2 219 . 1 . 1 22 22 ARG HB3 H 1 1.900 0.020 . 2 . . . . . 22 ARG HB3 . 50007 2 220 . 1 . 1 22 22 ARG HG2 H 1 1.713 0.020 . 1 . . . . . 22 ARG HG2 . 50007 2 221 . 1 . 1 22 22 ARG HG3 H 1 1.713 0.020 . 1 . . . . . 22 ARG HG3 . 50007 2 222 . 1 . 1 22 22 ARG HD2 H 1 3.279 0.020 . 1 . . . . . 22 ARG HD2 . 50007 2 223 . 1 . 1 22 22 ARG HD3 H 1 3.279 0.020 . 1 . . . . . 22 ARG HD3 . 50007 2 224 . 1 . 1 22 22 ARG C C 13 179.593 0.3 . 1 . . . . . 22 ARG C . 50007 2 225 . 1 . 1 22 22 ARG CA C 13 59.214 0.3 . 1 . . . . . 22 ARG CA . 50007 2 226 . 1 . 1 22 22 ARG CB C 13 30.438 0.3 . 1 . . . . . 22 ARG CB . 50007 2 227 . 1 . 1 22 22 ARG CG C 13 27.244 0.3 . 1 . . . . . 22 ARG CG . 50007 2 228 . 1 . 1 22 22 ARG CD C 13 43.477 0.3 . 1 . . . . . 22 ARG CD . 50007 2 229 . 1 . 1 22 22 ARG N N 15 119.279 0.3 . 1 . . . . . 22 ARG N . 50007 2 230 . 1 . 1 23 23 LEU H H 1 8.195 0.020 . 1 . . . . . 23 LEU H . 50007 2 231 . 1 . 1 23 23 LEU HA H 1 4.151 0.020 . 1 . . . . . 23 LEU HA . 50007 2 232 . 1 . 1 23 23 LEU HB2 H 1 1.875 0.020 . 1 . . . . . 23 LEU HB2 . 50007 2 233 . 1 . 1 23 23 LEU HB3 H 1 1.691 0.020 . 2 . . . . . 23 LEU HB3 . 50007 2 234 . 1 . 1 23 23 LEU HG H 1 1.713 0.020 . 1 . . . . . 23 LEU HG . 50007 2 235 . 1 . 1 23 23 LEU HD11 H 1 0.888 0.020 . 1 . . . . . 23 LEU HD1 . 50007 2 236 . 1 . 1 23 23 LEU HD12 H 1 0.888 0.020 . 1 . . . . . 23 LEU HD1 . 50007 2 237 . 1 . 1 23 23 LEU HD13 H 1 0.888 0.020 . 1 . . . . . 23 LEU HD1 . 50007 2 238 . 1 . 1 23 23 LEU HD21 H 1 0.888 0.020 . 1 . . . . . 23 LEU HD2 . 50007 2 239 . 1 . 1 23 23 LEU HD22 H 1 0.888 0.020 . 1 . . . . . 23 LEU HD2 . 50007 2 240 . 1 . 1 23 23 LEU HD23 H 1 0.888 0.020 . 1 . . . . . 23 LEU HD2 . 50007 2 241 . 1 . 1 23 23 LEU C C 13 177.930 0.3 . 1 . . . . . 23 LEU C . 50007 2 242 . 1 . 1 23 23 LEU CA C 13 58.128 0.3 . 1 . . . . . 23 LEU CA . 50007 2 243 . 1 . 1 23 23 LEU CB C 13 41.664 0.3 . 1 . . . . . 23 LEU CB . 50007 2 244 . 1 . 1 23 23 LEU CG C 13 27.124 0.3 . 1 . . . . . 23 LEU CG . 50007 2 245 . 1 . 1 23 23 LEU CD1 C 13 24.998 0.3 . 1 . . . . . 23 LEU CD1 . 50007 2 246 . 1 . 1 23 23 LEU CD2 C 13 25.246 0.3 . 1 . . . . . 23 LEU CD2 . 50007 2 247 . 1 . 1 23 23 LEU N N 15 120.659 0.3 . 1 . . . . . 23 LEU N . 50007 2 248 . 1 . 1 24 24 ALA H H 1 8.521 0.020 . 1 . . . . . 24 ALA H . 50007 2 249 . 1 . 1 24 24 ALA HA H 1 3.942 0.020 . 1 . . . . . 24 ALA HA . 50007 2 250 . 1 . 1 24 24 ALA HB1 H 1 1.507 0.020 . 1 . . . . . 24 ALA HB . 50007 2 251 . 1 . 1 24 24 ALA HB2 H 1 1.507 0.020 . 1 . . . . . 24 ALA HB . 50007 2 252 . 1 . 1 24 24 ALA HB3 H 1 1.507 0.020 . 1 . . . . . 24 ALA HB . 50007 2 253 . 1 . 1 24 24 ALA C C 13 178.982 0.3 . 1 . . . . . 24 ALA C . 50007 2 254 . 1 . 1 24 24 ALA CA C 13 55.928 0.3 . 1 . . . . . 24 ALA CA . 50007 2 255 . 1 . 1 24 24 ALA CB C 13 17.999 0.3 . 1 . . . . . 24 ALA CB . 50007 2 256 . 1 . 1 24 24 ALA N N 15 120.955 0.3 . 1 . . . . . 24 ALA N . 50007 2 257 . 1 . 1 25 25 ASN H H 1 8.157 0.020 . 1 . . . . . 25 ASN H . 50007 2 258 . 1 . 1 25 25 ASN HA H 1 4.401 0.020 . 1 . . . . . 25 ASN HA . 50007 2 259 . 1 . 1 25 25 ASN HB2 H 1 2.917 0.020 . 2 . . . . . 25 ASN HB2 . 50007 2 260 . 1 . 1 25 25 ASN HB3 H 1 2.832 0.020 . 2 . . . . . 25 ASN HB3 . 50007 2 261 . 1 . 1 25 25 ASN C C 13 177.480 0.3 . 1 . . . . . 25 ASN C . 50007 2 262 . 1 . 1 25 25 ASN CA C 13 56.361 0.3 . 1 . . . . . 25 ASN CA . 50007 2 263 . 1 . 1 25 25 ASN CB C 13 38.705 0.3 . 1 . . . . . 25 ASN CB . 50007 2 264 . 1 . 1 25 25 ASN N N 15 114.703 0.3 . 1 . . . . . 25 ASN N . 50007 2 265 . 1 . 1 26 26 PHE H H 1 7.998 0.020 . 1 . . . . . 26 PHE H . 50007 2 266 . 1 . 1 26 26 PHE HA H 1 4.411 0.020 . 1 . . . . . 26 PHE HA . 50007 2 267 . 1 . 1 26 26 PHE HB2 H 1 3.362 0.020 . 2 . . . . . 26 PHE HB2 . 50007 2 268 . 1 . 1 26 26 PHE HB3 H 1 3.299 0.020 . 2 . . . . . 26 PHE HB3 . 50007 2 269 . 1 . 1 26 26 PHE HD1 H 1 7.226 0.020 . 1 . . . . . 26 PHE HD1 . 50007 2 270 . 1 . 1 26 26 PHE HD2 H 1 7.226 0.020 . 1 . . . . . 26 PHE HD2 . 50007 2 271 . 1 . 1 26 26 PHE C C 13 177.777 0.3 . 1 . . . . . 26 PHE C . 50007 2 272 . 1 . 1 26 26 PHE CA C 13 60.913 0.3 . 1 . . . . . 26 PHE CA . 50007 2 273 . 1 . 1 26 26 PHE CB C 13 39.154 0.3 . 1 . . . . . 26 PHE CB . 50007 2 274 . 1 . 1 26 26 PHE N N 15 120.214 0.3 . 1 . . . . . 26 PHE N . 50007 2 275 . 1 . 1 27 27 LEU H H 1 8.351 0.020 . 1 . . . . . 27 LEU H . 50007 2 276 . 1 . 1 27 27 LEU HA H 1 3.893 0.020 . 1 . . . . . 27 LEU HA . 50007 2 277 . 1 . 1 27 27 LEU HB2 H 1 2.014 0.020 . 2 . . . . . 27 LEU HB2 . 50007 2 278 . 1 . 1 27 27 LEU HB3 H 1 1.933 0.020 . 2 . . . . . 27 LEU HB3 . 50007 2 279 . 1 . 1 27 27 LEU HG H 1 1.430 0.020 . 1 . . . . . 27 LEU HG . 50007 2 280 . 1 . 1 27 27 LEU HD11 H 1 0.881 0.020 . 1 . . . . . 27 LEU HD1 . 50007 2 281 . 1 . 1 27 27 LEU HD12 H 1 0.881 0.020 . 1 . . . . . 27 LEU HD1 . 50007 2 282 . 1 . 1 27 27 LEU HD13 H 1 0.881 0.020 . 1 . . . . . 27 LEU HD1 . 50007 2 283 . 1 . 1 27 27 LEU HD21 H 1 0.881 0.020 . 1 . . . . . 27 LEU HD2 . 50007 2 284 . 1 . 1 27 27 LEU HD22 H 1 0.881 0.020 . 1 . . . . . 27 LEU HD2 . 50007 2 285 . 1 . 1 27 27 LEU HD23 H 1 0.881 0.020 . 1 . . . . . 27 LEU HD2 . 50007 2 286 . 1 . 1 27 27 LEU C C 13 178.676 0.3 . 1 . . . . . 27 LEU C . 50007 2 287 . 1 . 1 27 27 LEU CA C 13 57.810 0.3 . 1 . . . . . 27 LEU CA . 50007 2 288 . 1 . 1 27 27 LEU CB C 13 41.664 0.3 . 1 . . . . . 27 LEU CB . 50007 2 289 . 1 . 1 27 27 LEU CG C 13 26.984 0.3 . 1 . . . . . 27 LEU CG . 50007 2 290 . 1 . 1 27 27 LEU CD1 C 13 26.213 0.3 . 1 . . . . . 27 LEU CD1 . 50007 2 291 . 1 . 1 27 27 LEU CD2 C 13 25.864 0.3 . 1 . . . . . 27 LEU CD2 . 50007 2 292 . 1 . 1 27 27 LEU N N 15 119.319 0.3 . 1 . . . . . 27 LEU N . 50007 2 293 . 1 . 1 28 28 VAL H H 1 8.080 0.020 . 1 . . . . . 28 VAL H . 50007 2 294 . 1 . 1 28 28 VAL HA H 1 3.772 0.020 . 1 . . . . . 28 VAL HA . 50007 2 295 . 1 . 1 28 28 VAL HB H 1 2.063 0.020 . 1 . . . . . 28 VAL HB . 50007 2 296 . 1 . 1 28 28 VAL HG11 H 1 0.964 0.020 . 2 . . . . . 28 VAL HG1 . 50007 2 297 . 1 . 1 28 28 VAL HG12 H 1 0.964 0.020 . 2 . . . . . 28 VAL HG1 . 50007 2 298 . 1 . 1 28 28 VAL HG13 H 1 0.964 0.020 . 2 . . . . . 28 VAL HG1 . 50007 2 299 . 1 . 1 28 28 VAL HG21 H 1 0.774 0.020 . 2 . . . . . 28 VAL HG2 . 50007 2 300 . 1 . 1 28 28 VAL HG22 H 1 0.774 0.020 . 2 . . . . . 28 VAL HG2 . 50007 2 301 . 1 . 1 28 28 VAL HG23 H 1 0.774 0.020 . 2 . . . . . 28 VAL HG2 . 50007 2 302 . 1 . 1 28 28 VAL C C 13 177.444 0.3 . 1 . . . . . 28 VAL C . 50007 2 303 . 1 . 1 28 28 VAL CA C 13 65.362 0.3 . 1 . . . . . 28 VAL CA . 50007 2 304 . 1 . 1 28 28 VAL CB C 13 31.878 0.3 . 1 . . . . . 28 VAL CB . 50007 2 305 . 1 . 1 28 28 VAL CG1 C 13 21.890 0.3 . 1 . . . . . 28 VAL CG1 . 50007 2 306 . 1 . 1 28 28 VAL CG2 C 13 21.372 0.3 . 1 . . . . . 28 VAL CG2 . 50007 2 307 . 1 . 1 28 28 VAL N N 15 115.971 0.3 . 1 . . . . . 28 VAL N . 50007 2 308 . 1 . 1 29 29 HIS H H 1 7.799 0.020 . 1 . . . . . 29 HIS H . 50007 2 309 . 1 . 1 29 29 HIS HA H 1 4.643 0.020 . 1 . . . . . 29 HIS HA . 50007 2 310 . 1 . 1 29 29 HIS HB2 H 1 3.377 0.020 . 2 . . . . . 29 HIS HB2 . 50007 2 311 . 1 . 1 29 29 HIS HB3 H 1 3.194 0.020 . 2 . . . . . 29 HIS HB3 . 50007 2 312 . 1 . 1 29 29 HIS HD2 H 1 7.346 0.020 . 1 . . . . . 29 HIS HD2 . 50007 2 313 . 1 . 1 29 29 HIS C C 13 175.529 0.3 . 1 . . . . . 29 HIS C . 50007 2 314 . 1 . 1 29 29 HIS CA C 13 57.007 0.3 . 1 . . . . . 29 HIS CA . 50007 2 315 . 1 . 1 29 29 HIS CB C 13 28.380 0.3 . 1 . . . . . 29 HIS CB . 50007 2 316 . 1 . 1 29 29 HIS N N 15 116.357 0.3 . 1 . . . . . 29 HIS N . 50007 2 317 . 1 . 1 30 30 SER H H 1 7.813 0.020 . 1 . . . . . 30 SER H . 50007 2 318 . 1 . 1 30 30 SER HA H 1 4.339 0.020 . 1 . . . . . 30 SER HA . 50007 2 319 . 1 . 1 30 30 SER HB2 H 1 3.654 0.020 . 1 . . . . . 30 SER HB2 . 50007 2 320 . 1 . 1 30 30 SER HB3 H 1 3.654 0.020 . 1 . . . . . 30 SER HB3 . 50007 2 321 . 1 . 1 30 30 SER C C 13 174.630 0.3 . 1 . . . . . 30 SER C . 50007 2 322 . 1 . 1 30 30 SER CA C 13 59.792 0.3 . 1 . . . . . 30 SER CA . 50007 2 323 . 1 . 1 30 30 SER CB C 13 63.643 0.3 . 1 . . . . . 30 SER CB . 50007 2 324 . 1 . 1 30 30 SER N N 15 115.073 0.3 . 1 . . . . . 30 SER N . 50007 2 325 . 1 . 1 31 31 SER H H 1 7.981 0.020 . 1 . . . . . 31 SER H . 50007 2 326 . 1 . 1 31 31 SER HA H 1 4.091 0.020 . 1 . . . . . 31 SER HA . 50007 2 327 . 1 . 1 31 31 SER HB2 H 1 3.822 0.020 . 1 . . . . . 31 SER HB2 . 50007 2 328 . 1 . 1 31 31 SER HB3 H 1 3.822 0.020 . 1 . . . . . 31 SER HB3 . 50007 2 329 . 1 . 1 31 31 SER C C 13 174.882 0.3 . 1 . . . . . 31 SER C . 50007 2 330 . 1 . 1 31 31 SER CA C 13 59.656 0.3 . 1 . . . . . 31 SER CA . 50007 2 331 . 1 . 1 31 31 SER CB C 13 63.487 0.3 . 1 . . . . . 31 SER CB . 50007 2 332 . 1 . 1 31 31 SER N N 15 116.335 0.3 . 1 . . . . . 31 SER N . 50007 2 333 . 1 . 1 32 32 ASN H H 1 8.175 0.020 . 1 . . . . . 32 ASN H . 50007 2 334 . 1 . 1 32 32 ASN HA H 1 4.551 0.020 . 1 . . . . . 32 ASN HA . 50007 2 335 . 1 . 1 32 32 ASN HB2 H 1 2.615 0.020 . 1 . . . . . 32 ASN HB2 . 50007 2 336 . 1 . 1 32 32 ASN HB3 H 1 2.615 0.020 . 1 . . . . . 32 ASN HB3 . 50007 2 337 . 1 . 1 32 32 ASN HD22 H 1 7.469 0.020 . 1 . . . . . 32 ASN HD22 . 50007 2 338 . 1 . 1 32 32 ASN C C 13 175.502 0.3 . 1 . . . . . 32 ASN C . 50007 2 339 . 1 . 1 32 32 ASN CA C 13 54.459 0.3 . 1 . . . . . 32 ASN CA . 50007 2 340 . 1 . 1 32 32 ASN CB C 13 38.705 0.3 . 1 . . . . . 32 ASN CB . 50007 2 341 . 1 . 1 32 32 ASN N N 15 119.795 0.3 . 1 . . . . . 32 ASN N . 50007 2 342 . 1 . 1 33 33 ASN H H 1 8.204 0.020 . 1 . . . . . 33 ASN H . 50007 2 343 . 1 . 1 33 33 ASN HA H 1 4.701 0.020 . 1 . . . . . 33 ASN HA . 50007 2 344 . 1 . 1 33 33 ASN HB2 H 1 2.762 0.020 . 1 . . . . . 33 ASN HB2 . 50007 2 345 . 1 . 1 33 33 ASN HB3 H 1 2.762 0.020 . 1 . . . . . 33 ASN HB3 . 50007 2 346 . 1 . 1 33 33 ASN HD21 H 1 7.524 0.020 . 1 . . . . . 33 ASN HD21 . 50007 2 347 . 1 . 1 33 33 ASN HD22 H 1 6.862 0.020 . 1 . . . . . 33 ASN HD22 . 50007 2 348 . 1 . 1 33 33 ASN C C 13 175.862 0.3 . 1 . . . . . 33 ASN C . 50007 2 349 . 1 . 1 33 33 ASN CA C 13 53.754 0.3 . 1 . . . . . 33 ASN CA . 50007 2 350 . 1 . 1 33 33 ASN CB C 13 38.592 0.3 . 1 . . . . . 33 ASN CB . 50007 2 351 . 1 . 1 33 33 ASN N N 15 117.582 0.3 . 1 . . . . . 33 ASN N . 50007 2 352 . 1 . 1 34 34 PHE H H 1 8.273 0.020 . 1 . . . . . 34 PHE H . 50007 2 353 . 1 . 1 34 34 PHE HA H 1 4.390 0.020 . 1 . . . . . 34 PHE HA . 50007 2 354 . 1 . 1 34 34 PHE HB2 H 1 3.122 0.020 . 1 . . . . . 34 PHE HB2 . 50007 2 355 . 1 . 1 34 34 PHE HB3 H 1 3.122 0.020 . 1 . . . . . 34 PHE HB3 . 50007 2 356 . 1 . 1 34 34 PHE HD1 H 1 7.194 0.020 . 1 . . . . . 34 PHE HD1 . 50007 2 357 . 1 . 1 34 34 PHE HD2 H 1 7.194 0.020 . 1 . . . . . 34 PHE HD2 . 50007 2 358 . 1 . 1 34 34 PHE C C 13 177.031 0.3 . 1 . . . . . 34 PHE C . 50007 2 359 . 1 . 1 34 34 PHE CA C 13 59.928 0.3 . 1 . . . . . 34 PHE CA . 50007 2 360 . 1 . 1 34 34 PHE CB C 13 38.684 0.3 . 1 . . . . . 34 PHE CB . 50007 2 361 . 1 . 1 34 34 PHE N N 15 119.698 0.3 . 1 . . . . . 34 PHE N . 50007 2 362 . 1 . 1 35 35 GLY H H 1 8.618 0.020 . 1 . . . . . 35 GLY H . 50007 2 363 . 1 . 1 35 35 GLY HA2 H 1 3.958 0.020 . 2 . . . . . 35 GLY HA2 . 50007 2 364 . 1 . 1 35 35 GLY HA3 H 1 3.709 0.020 . 2 . . . . . 35 GLY HA3 . 50007 2 365 . 1 . 1 35 35 GLY C C 13 175.358 0.3 . 1 . . . . . 35 GLY C . 50007 2 366 . 1 . 1 35 35 GLY CA C 13 47.021 0.3 . 1 . . . . . 35 GLY CA . 50007 2 367 . 1 . 1 35 35 GLY N N 15 107.017 0.3 . 1 . . . . . 35 GLY N . 50007 2 368 . 1 . 1 36 36 ALA H H 1 7.862 0.020 . 1 . . . . . 36 ALA H . 50007 2 369 . 1 . 1 36 36 ALA HA H 1 4.234 0.020 . 1 . . . . . 36 ALA HA . 50007 2 370 . 1 . 1 36 36 ALA HB1 H 1 1.441 0.020 . 1 . . . . . 36 ALA HB . 50007 2 371 . 1 . 1 36 36 ALA HB2 H 1 1.441 0.020 . 1 . . . . . 36 ALA HB . 50007 2 372 . 1 . 1 36 36 ALA HB3 H 1 1.441 0.020 . 1 . . . . . 36 ALA HB . 50007 2 373 . 1 . 1 36 36 ALA C C 13 179.656 0.3 . 1 . . . . . 36 ALA C . 50007 2 374 . 1 . 1 36 36 ALA CA C 13 53.984 0.3 . 1 . . . . . 36 ALA CA . 50007 2 375 . 1 . 1 36 36 ALA CB C 13 18.507 0.3 . 1 . . . . . 36 ALA CB . 50007 2 376 . 1 . 1 36 36 ALA N N 15 122.996 0.3 . 1 . . . . . 36 ALA N . 50007 2 377 . 1 . 1 37 37 ILE H H 1 7.763 0.020 . 1 . . . . . 37 ILE H . 50007 2 378 . 1 . 1 37 37 ILE HA H 1 3.906 0.020 . 1 . . . . . 37 ILE HA . 50007 2 379 . 1 . 1 37 37 ILE HB H 1 1.953 0.020 . 1 . . . . . 37 ILE HB . 50007 2 380 . 1 . 1 37 37 ILE HG12 H 1 1.650 0.020 . 2 . . . . . 37 ILE HG12 . 50007 2 381 . 1 . 1 37 37 ILE HG13 H 1 1.211 0.020 . 2 . . . . . 37 ILE HG13 . 50007 2 382 . 1 . 1 37 37 ILE HG21 H 1 0.890 0.020 . 1 . . . . . 37 ILE HG2 . 50007 2 383 . 1 . 1 37 37 ILE HG22 H 1 0.890 0.020 . 1 . . . . . 37 ILE HG2 . 50007 2 384 . 1 . 1 37 37 ILE HG23 H 1 0.890 0.020 . 1 . . . . . 37 ILE HG2 . 50007 2 385 . 1 . 1 37 37 ILE HD11 H 1 0.870 0.020 . 1 . . . . . 37 ILE HD1 . 50007 2 386 . 1 . 1 37 37 ILE HD12 H 1 0.870 0.020 . 1 . . . . . 37 ILE HD1 . 50007 2 387 . 1 . 1 37 37 ILE HD13 H 1 0.870 0.020 . 1 . . . . . 37 ILE HD1 . 50007 2 388 . 1 . 1 37 37 ILE C C 13 177.229 0.3 . 1 . . . . . 37 ILE C . 50007 2 389 . 1 . 1 37 37 ILE CA C 13 63.596 0.3 . 1 . . . . . 37 ILE CA . 50007 2 390 . 1 . 1 37 37 ILE CB C 13 38.254 0.3 . 1 . . . . . 37 ILE CB . 50007 2 391 . 1 . 1 37 37 ILE CG1 C 13 28.372 0.3 . 1 . . . . . 37 ILE CG1 . 50007 2 392 . 1 . 1 37 37 ILE CG2 C 13 17.521 0.3 . 1 . . . . . 37 ILE CG2 . 50007 2 393 . 1 . 1 37 37 ILE CD1 C 13 13.405 0.3 . 1 . . . . . 37 ILE CD1 . 50007 2 394 . 1 . 1 37 37 ILE N N 15 117.732 0.3 . 1 . . . . . 37 ILE N . 50007 2 395 . 1 . 1 38 38 LEU H H 1 7.887 0.020 . 1 . . . . . 38 LEU H . 50007 2 396 . 1 . 1 38 38 LEU HA H 1 4.191 0.020 . 1 . . . . . 38 LEU HA . 50007 2 397 . 1 . 1 38 38 LEU HB2 H 1 1.706 0.020 . 1 . . . . . 38 LEU HB2 . 50007 2 398 . 1 . 1 38 38 LEU HB3 H 1 1.706 0.020 . 1 . . . . . 38 LEU HB3 . 50007 2 399 . 1 . 1 38 38 LEU HG H 1 1.603 0.020 . 1 . . . . . 38 LEU HG . 50007 2 400 . 1 . 1 38 38 LEU HD11 H 1 0.841 0.020 . 1 . . . . . 38 LEU HD1 . 50007 2 401 . 1 . 1 38 38 LEU HD12 H 1 0.841 0.020 . 1 . . . . . 38 LEU HD1 . 50007 2 402 . 1 . 1 38 38 LEU HD13 H 1 0.841 0.020 . 1 . . . . . 38 LEU HD1 . 50007 2 403 . 1 . 1 38 38 LEU HD21 H 1 0.841 0.020 . 1 . . . . . 38 LEU HD2 . 50007 2 404 . 1 . 1 38 38 LEU HD22 H 1 0.841 0.020 . 1 . . . . . 38 LEU HD2 . 50007 2 405 . 1 . 1 38 38 LEU HD23 H 1 0.841 0.020 . 1 . . . . . 38 LEU HD2 . 50007 2 406 . 1 . 1 38 38 LEU C C 13 177.768 0.3 . 1 . . . . . 38 LEU C . 50007 2 407 . 1 . 1 38 38 LEU CA C 13 56.259 0.3 . 1 . . . . . 38 LEU CA . 50007 2 408 . 1 . 1 38 38 LEU CB C 13 41.695 0.3 . 1 . . . . . 38 LEU CB . 50007 2 409 . 1 . 1 38 38 LEU CG C 13 28.798 0.3 . 1 . . . . . 38 LEU CG . 50007 2 410 . 1 . 1 38 38 LEU CD1 C 13 25.453 0.3 . 1 . . . . . 38 LEU CD1 . 50007 2 411 . 1 . 1 38 38 LEU CD2 C 13 23.582 0.3 . 1 . . . . . 38 LEU CD2 . 50007 2 412 . 1 . 1 38 38 LEU N N 15 119.247 0.3 . 1 . . . . . 38 LEU N . 50007 2 413 . 1 . 1 39 39 SER H H 1 7.908 0.020 . 1 . . . . . 39 SER H . 50007 2 414 . 1 . 1 39 39 SER HA H 1 4.381 0.020 . 1 . . . . . 39 SER HA . 50007 2 415 . 1 . 1 39 39 SER HB2 H 1 3.922 0.020 . 1 . . . . . 39 SER HB2 . 50007 2 416 . 1 . 1 39 39 SER HB3 H 1 3.922 0.020 . 1 . . . . . 39 SER HB3 . 50007 2 417 . 1 . 1 39 39 SER C C 13 175.116 0.3 . 1 . . . . . 39 SER C . 50007 2 418 . 1 . 1 39 39 SER CA C 13 59.622 0.3 . 1 . . . . . 39 SER CA . 50007 2 419 . 1 . 1 39 39 SER CB C 13 63.586 0.3 . 1 . . . . . 39 SER CB . 50007 2 420 . 1 . 1 39 39 SER N N 15 113.164 0.3 . 1 . . . . . 39 SER N . 50007 2 421 . 1 . 1 40 40 SER H H 1 8.003 0.020 . 1 . . . . . 40 SER H . 50007 2 422 . 1 . 1 40 40 SER HA H 1 4.481 0.020 . 1 . . . . . 40 SER HA . 50007 2 423 . 1 . 1 40 40 SER HB2 H 1 3.959 0.020 . 1 . . . . . 40 SER HB2 . 50007 2 424 . 1 . 1 40 40 SER HB3 H 1 3.959 0.020 . 1 . . . . . 40 SER HB3 . 50007 2 425 . 1 . 1 40 40 SER C C 13 174.648 0.3 . 1 . . . . . 40 SER C . 50007 2 426 . 1 . 1 40 40 SER CA C 13 59.350 0.3 . 1 . . . . . 40 SER CA . 50007 2 427 . 1 . 1 40 40 SER CB C 13 63.682 0.3 . 1 . . . . . 40 SER CB . 50007 2 428 . 1 . 1 40 40 SER N N 15 116.436 0.3 . 1 . . . . . 40 SER N . 50007 2 429 . 1 . 1 41 41 THR H H 1 7.828 0.020 . 1 . . . . . 41 THR H . 50007 2 430 . 1 . 1 41 41 THR HA H 1 4.228 0.020 . 1 . . . . . 41 THR HA . 50007 2 431 . 1 . 1 41 41 THR HB H 1 4.328 0.020 . 1 . . . . . 41 THR HB . 50007 2 432 . 1 . 1 41 41 THR HG21 H 1 1.206 0.020 . 1 . . . . . 41 THR HG2 . 50007 2 433 . 1 . 1 41 41 THR HG22 H 1 1.206 0.020 . 1 . . . . . 41 THR HG2 . 50007 2 434 . 1 . 1 41 41 THR HG23 H 1 1.206 0.020 . 1 . . . . . 41 THR HG2 . 50007 2 435 . 1 . 1 41 41 THR C C 13 174.189 0.3 . 1 . . . . . 41 THR C . 50007 2 436 . 1 . 1 41 41 THR CA C 13 62.509 0.3 . 1 . . . . . 41 THR CA . 50007 2 437 . 1 . 1 41 41 THR CB C 13 69.468 0.3 . 1 . . . . . 41 THR CB . 50007 2 438 . 1 . 1 41 41 THR CG2 C 13 21.545 0.3 . 1 . . . . . 41 THR CG2 . 50007 2 439 . 1 . 1 41 41 THR N N 15 114.148 0.3 . 1 . . . . . 41 THR N . 50007 2 440 . 1 . 1 42 42 ASN H H 1 8.394 0.020 . 1 . . . . . 42 ASN H . 50007 2 441 . 1 . 1 42 42 ASN HA H 1 4.751 0.020 . 1 . . . . . 42 ASN HA . 50007 2 442 . 1 . 1 42 42 ASN HB2 H 1 2.742 0.020 . 2 . . . . . 42 ASN HB2 . 50007 2 443 . 1 . 1 42 42 ASN HB3 H 1 2.882 0.020 . 2 . . . . . 42 ASN HB3 . 50007 2 444 . 1 . 1 42 42 ASN HD22 H 1 7.596 0.020 . 1 . . . . . 42 ASN HD22 . 50007 2 445 . 1 . 1 42 42 ASN C C 13 175.376 0.3 . 1 . . . . . 42 ASN C . 50007 2 446 . 1 . 1 42 42 ASN CA C 13 53.534 0.3 . 1 . . . . . 42 ASN CA . 50007 2 447 . 1 . 1 42 42 ASN CB C 13 38.814 0.3 . 1 . . . . . 42 ASN CB . 50007 2 448 . 1 . 1 42 42 ASN N N 15 120.418 0.3 . 1 . . . . . 42 ASN N . 50007 2 449 . 1 . 1 43 43 VAL H H 1 8.030 0.020 . 1 . . . . . 43 VAL H . 50007 2 450 . 1 . 1 43 43 VAL HA H 1 4.054 0.020 . 1 . . . . . 43 VAL HA . 50007 2 451 . 1 . 1 43 43 VAL HB H 1 2.130 0.020 . 1 . . . . . 43 VAL HB . 50007 2 452 . 1 . 1 43 43 VAL HG11 H 1 0.932 0.020 . 1 . . . . . 43 VAL HG1 . 50007 2 453 . 1 . 1 43 43 VAL HG12 H 1 0.932 0.020 . 1 . . . . . 43 VAL HG1 . 50007 2 454 . 1 . 1 43 43 VAL HG13 H 1 0.932 0.020 . 1 . . . . . 43 VAL HG1 . 50007 2 455 . 1 . 1 43 43 VAL HG21 H 1 0.932 0.020 . 1 . . . . . 43 VAL HG2 . 50007 2 456 . 1 . 1 43 43 VAL HG22 H 1 0.932 0.020 . 1 . . . . . 43 VAL HG2 . 50007 2 457 . 1 . 1 43 43 VAL HG23 H 1 0.932 0.020 . 1 . . . . . 43 VAL HG2 . 50007 2 458 . 1 . 1 43 43 VAL C C 13 176.302 0.3 . 1 . . . . . 43 VAL C . 50007 2 459 . 1 . 1 43 43 VAL CA C 13 63.053 0.3 . 1 . . . . . 43 VAL CA . 50007 2 460 . 1 . 1 43 43 VAL CB C 13 32.165 0.3 . 1 . . . . . 43 VAL CB . 50007 2 461 . 1 . 1 43 43 VAL CG1 C 13 21.286 0.3 . 1 . . . . . 43 VAL CG1 . 50007 2 462 . 1 . 1 43 43 VAL CG2 C 13 20.595 0.3 . 1 . . . . . 43 VAL CG2 . 50007 2 463 . 1 . 1 43 43 VAL N N 15 119.032 0.3 . 1 . . . . . 43 VAL N . 50007 2 464 . 1 . 1 44 44 GLY H H 1 8.418 0.020 . 1 . . . . . 44 GLY H . 50007 2 465 . 1 . 1 44 44 GLY HA2 H 1 3.953 0.020 . 2 . . . . . 44 GLY HA2 . 50007 2 466 . 1 . 1 44 44 GLY HA3 H 1 3.869 0.020 . 2 . . . . . 44 GLY HA3 . 50007 2 467 . 1 . 1 44 44 GLY C C 13 174.324 0.3 . 1 . . . . . 44 GLY C . 50007 2 468 . 1 . 1 44 44 GLY CA C 13 45.526 0.3 . 1 . . . . . 44 GLY CA . 50007 2 469 . 1 . 1 44 44 GLY N N 15 110.575 0.3 . 1 . . . . . 44 GLY N . 50007 2 470 . 1 . 1 45 45 SER H H 1 8.139 0.020 . 1 . . . . . 45 SER H . 50007 2 471 . 1 . 1 45 45 SER HA H 1 4.361 0.020 . 1 . . . . . 45 SER HA . 50007 2 472 . 1 . 1 45 45 SER HB2 H 1 3.954 0.020 . 2 . . . . . 45 SER HB2 . 50007 2 473 . 1 . 1 45 45 SER HB3 H 1 3.854 0.020 . 2 . . . . . 45 SER HB3 . 50007 2 474 . 1 . 1 45 45 SER C C 13 174.684 0.3 . 1 . . . . . 45 SER C . 50007 2 475 . 1 . 1 45 45 SER CA C 13 58.841 0.3 . 1 . . . . . 45 SER CA . 50007 2 476 . 1 . 1 45 45 SER CB C 13 63.682 0.3 . 1 . . . . . 45 SER CB . 50007 2 477 . 1 . 1 45 45 SER N N 15 115.240 0.3 . 1 . . . . . 45 SER N . 50007 2 478 . 1 . 1 46 46 ASN H H 1 8.431 0.020 . 1 . . . . . 46 ASN H . 50007 2 479 . 1 . 1 46 46 ASN HA H 1 4.713 0.020 . 1 . . . . . 46 ASN HA . 50007 2 480 . 1 . 1 46 46 ASN HB2 H 1 2.772 0.020 . 1 . . . . . 46 ASN HB2 . 50007 2 481 . 1 . 1 46 46 ASN HB3 H 1 2.772 0.020 . 1 . . . . . 46 ASN HB3 . 50007 2 482 . 1 . 1 46 46 ASN C C 13 175.394 0.3 . 1 . . . . . 46 ASN C . 50007 2 483 . 1 . 1 46 46 ASN CA C 13 53.670 0.3 . 1 . . . . . 46 ASN CA . 50007 2 484 . 1 . 1 46 46 ASN CB C 13 38.555 0.3 . 1 . . . . . 46 ASN CB . 50007 2 485 . 1 . 1 46 46 ASN N N 15 120.095 0.3 . 1 . . . . . 46 ASN N . 50007 2 486 . 1 . 1 47 47 THR H H 1 7.967 0.020 . 1 . . . . . 47 THR H . 50007 2 487 . 1 . 1 47 47 THR HA H 1 4.058 0.020 . 1 . . . . . 47 THR HA . 50007 2 488 . 1 . 1 47 47 THR HB H 1 4.153 0.020 . 1 . . . . . 47 THR HB . 50007 2 489 . 1 . 1 47 47 THR HG21 H 1 1.044 0.020 . 1 . . . . . 47 THR HG2 . 50007 2 490 . 1 . 1 47 47 THR HG22 H 1 1.044 0.020 . 1 . . . . . 47 THR HG2 . 50007 2 491 . 1 . 1 47 47 THR HG23 H 1 1.044 0.020 . 1 . . . . . 47 THR HG2 . 50007 2 492 . 1 . 1 47 47 THR C C 13 174.468 0.3 . 1 . . . . . 47 THR C . 50007 2 493 . 1 . 1 47 47 THR CA C 13 62.917 0.3 . 1 . . . . . 47 THR CA . 50007 2 494 . 1 . 1 47 47 THR CB C 13 69.468 0.3 . 1 . . . . . 47 THR CB . 50007 2 495 . 1 . 1 47 47 THR CG2 C 13 21.572 0.3 . 1 . . . . . 47 THR CG2 . 50007 2 496 . 1 . 1 47 47 THR N N 15 113.692 0.3 . 1 . . . . . 47 THR N . 50007 2 497 . 1 . 1 48 48 TYR H H 1 8.091 0.020 . 1 . . . . . 48 TYR H . 50007 2 498 . 1 . 1 48 48 TYR HA H 1 4.501 0.020 . 1 . . . . . 48 TYR HA . 50007 2 499 . 1 . 1 48 48 TYR HB2 H 1 3.024 0.020 . 2 . . . . . 48 TYR HB2 . 50007 2 500 . 1 . 1 48 48 TYR HB3 H 1 2.920 0.020 . 2 . . . . . 48 TYR HB3 . 50007 2 501 . 1 . 1 48 48 TYR HD1 H 1 7.049 0.020 . 1 . . . . . 48 TYR HD1 . 50007 2 502 . 1 . 1 48 48 TYR HD2 H 1 7.049 0.020 . 1 . . . . . 48 TYR HD2 . 50007 2 503 . 1 . 1 48 48 TYR C C 13 175.961 0.3 . 1 . . . . . 48 TYR C . 50007 2 504 . 1 . 1 48 48 TYR CA C 13 58.425 0.3 . 1 . . . . . 48 TYR CA . 50007 2 505 . 1 . 1 48 48 TYR CB C 13 38.728 0.3 . 1 . . . . . 48 TYR CB . 50007 2 506 . 1 . 1 48 48 TYR N N 15 121.148 0.3 . 1 . . . . . 48 TYR N . 50007 2 507 . 1 . 1 49 49 GLY H H 1 8.211 0.020 . 1 . . . . . 49 GLY H . 50007 2 508 . 1 . 1 49 49 GLY HA2 H 1 3.955 0.020 . 1 . . . . . 49 GLY HA2 . 50007 2 509 . 1 . 1 49 49 GLY HA3 H 1 3.955 0.020 . 1 . . . . . 49 GLY HA3 . 50007 2 510 . 1 . 1 49 49 GLY C C 13 174.279 0.3 . 1 . . . . . 49 GLY C . 50007 2 511 . 1 . 1 49 49 GLY CA C 13 45.560 0.3 . 1 . . . . . 49 GLY CA . 50007 2 512 . 1 . 1 49 49 GLY N N 15 108.477 0.3 . 1 . . . . . 49 GLY N . 50007 2 513 . 1 . 1 50 50 LYS H H 1 8.292 0.020 . 1 . . . . . 50 LYS H . 50007 2 514 . 1 . 1 50 50 LYS HA H 1 4.141 0.020 . 1 . . . . . 50 LYS HA . 50007 2 515 . 1 . 1 50 50 LYS HB2 H 1 1.823 0.020 . 1 . . . . . 50 LYS HB2 . 50007 2 516 . 1 . 1 50 50 LYS HB3 H 1 1.823 0.020 . 1 . . . . . 50 LYS HB3 . 50007 2 517 . 1 . 1 50 50 LYS HG2 H 1 1.467 0.020 . 2 . . . . . 50 LYS HG2 . 50007 2 518 . 1 . 1 50 50 LYS HG3 H 1 1.426 0.020 . 2 . . . . . 50 LYS HG3 . 50007 2 519 . 1 . 1 50 50 LYS HD2 H 1 1.683 0.020 . 1 . . . . . 50 LYS HD2 . 50007 2 520 . 1 . 1 50 50 LYS HD3 H 1 1.683 0.020 . 1 . . . . . 50 LYS HD3 . 50007 2 521 . 1 . 1 50 50 LYS C C 13 177.121 0.3 . 1 . . . . . 50 LYS C . 50007 2 522 . 1 . 1 50 50 LYS CA C 13 57.958 0.3 . 1 . . . . . 50 LYS CA . 50007 2 523 . 1 . 1 50 50 LYS CB C 13 32.942 0.3 . 1 . . . . . 50 LYS CB . 50007 2 524 . 1 . 1 50 50 LYS CG C 13 24.739 0.3 . 1 . . . . . 50 LYS CG . 50007 2 525 . 1 . 1 50 50 LYS CD C 13 29.057 0.3 . 1 . . . . . 50 LYS CD . 50007 2 526 . 1 . 1 50 50 LYS CE C 13 41.664 0.3 . 1 . . . . . 50 LYS CE . 50007 2 527 . 1 . 1 50 50 LYS N N 15 120.708 0.3 . 1 . . . . . 50 LYS N . 50007 2 528 . 1 . 1 51 51 ARG H H 1 8.342 0.020 . 1 . . . . . 51 ARG H . 50007 2 529 . 1 . 1 51 51 ARG HA H 1 4.149 0.020 . 1 . . . . . 51 ARG HA . 50007 2 530 . 1 . 1 51 51 ARG HB2 H 1 1.823 0.020 . 1 . . . . . 51 ARG HB2 . 50007 2 531 . 1 . 1 51 51 ARG HB3 H 1 1.823 0.020 . 1 . . . . . 51 ARG HB3 . 50007 2 532 . 1 . 1 51 51 ARG HG2 H 1 1.633 0.020 . 1 . . . . . 51 ARG HG2 . 50007 2 533 . 1 . 1 51 51 ARG HG3 H 1 1.633 0.020 . 1 . . . . . 51 ARG HG3 . 50007 2 534 . 1 . 1 51 51 ARG HD2 H 1 3.152 0.020 . 1 . . . . . 51 ARG HD2 . 50007 2 535 . 1 . 1 51 51 ARG HD3 H 1 3.152 0.020 . 1 . . . . . 51 ARG HD3 . 50007 2 536 . 1 . 1 51 51 ARG C C 13 177.022 0.3 . 1 . . . . . 51 ARG C . 50007 2 537 . 1 . 1 51 51 ARG CA C 13 57.627 0.3 . 1 . . . . . 51 ARG CA . 50007 2 538 . 1 . 1 51 51 ARG CB C 13 30.093 0.3 . 1 . . . . . 51 ARG CB . 50007 2 539 . 1 . 1 51 51 ARG CG C 13 26.898 0.3 . 1 . . . . . 51 ARG CG . 50007 2 540 . 1 . 1 51 51 ARG CD C 13 43.132 0.3 . 1 . . . . . 51 ARG CD . 50007 2 541 . 1 . 1 51 51 ARG N N 15 119.418 0.3 . 1 . . . . . 51 ARG N . 50007 2 542 . 1 . 1 52 52 ASN H H 1 8.221 0.020 . 1 . . . . . 52 ASN H . 50007 2 543 . 1 . 1 52 52 ASN HA H 1 4.574 0.020 . 1 . . . . . 52 ASN HA . 50007 2 544 . 1 . 1 52 52 ASN HB2 H 1 2.775 0.020 . 1 . . . . . 52 ASN HB2 . 50007 2 545 . 1 . 1 52 52 ASN HB3 H 1 2.775 0.020 . 1 . . . . . 52 ASN HB3 . 50007 2 546 . 1 . 1 52 52 ASN HD21 H 1 7.715 0.020 . 1 . . . . . 52 ASN HD21 . 50007 2 547 . 1 . 1 52 52 ASN HD22 H 1 7.010 0.020 . 1 . . . . . 52 ASN HD22 . 50007 2 548 . 1 . 1 52 52 ASN C C 13 176.096 0.3 . 1 . . . . . 52 ASN C . 50007 2 549 . 1 . 1 52 52 ASN CA C 13 54.740 0.3 . 1 . . . . . 52 ASN CA . 50007 2 550 . 1 . 1 52 52 ASN CB C 13 38.555 0.3 . 1 . . . . . 52 ASN CB . 50007 2 551 . 1 . 1 52 52 ASN N N 15 117.915 0.3 . 1 . . . . . 52 ASN N . 50007 2 552 . 1 . 1 53 53 ALA H H 1 8.225 0.020 . 1 . . . . . 53 ALA H . 50007 2 553 . 1 . 1 53 53 ALA HA H 1 4.051 0.020 . 1 . . . . . 53 ALA HA . 50007 2 554 . 1 . 1 53 53 ALA HB1 H 1 1.433 0.020 . 1 . . . . . 53 ALA HB . 50007 2 555 . 1 . 1 53 53 ALA HB2 H 1 1.433 0.020 . 1 . . . . . 53 ALA HB . 50007 2 556 . 1 . 1 53 53 ALA HB3 H 1 1.433 0.020 . 1 . . . . . 53 ALA HB . 50007 2 557 . 1 . 1 53 53 ALA C C 13 178.425 0.3 . 1 . . . . . 53 ALA C . 50007 2 558 . 1 . 1 53 53 ALA CA C 13 54.905 0.3 . 1 . . . . . 53 ALA CA . 50007 2 559 . 1 . 1 53 53 ALA CB C 13 18.868 0.3 . 1 . . . . . 53 ALA CB . 50007 2 560 . 1 . 1 53 53 ALA N N 15 122.304 0.3 . 1 . . . . . 53 ALA N . 50007 2 561 . 1 . 1 54 54 VAL H H 1 7.936 0.020 . 1 . . . . . 54 VAL H . 50007 2 562 . 1 . 1 54 54 VAL HA H 1 3.662 0.020 . 1 . . . . . 54 VAL HA . 50007 2 563 . 1 . 1 54 54 VAL HB H 1 2.173 0.020 . 1 . . . . . 54 VAL HB . 50007 2 564 . 1 . 1 54 54 VAL HG11 H 1 1.026 0.020 . 2 . . . . . 54 VAL HG1 . 50007 2 565 . 1 . 1 54 54 VAL HG12 H 1 1.026 0.020 . 2 . . . . . 54 VAL HG1 . 50007 2 566 . 1 . 1 54 54 VAL HG13 H 1 1.026 0.020 . 2 . . . . . 54 VAL HG1 . 50007 2 567 . 1 . 1 54 54 VAL HG21 H 1 0.944 0.020 . 2 . . . . . 54 VAL HG2 . 50007 2 568 . 1 . 1 54 54 VAL HG22 H 1 0.944 0.020 . 2 . . . . . 54 VAL HG2 . 50007 2 569 . 1 . 1 54 54 VAL HG23 H 1 0.944 0.020 . 2 . . . . . 54 VAL HG2 . 50007 2 570 . 1 . 1 54 54 VAL C C 13 176.986 0.3 . 1 . . . . . 54 VAL C . 50007 2 571 . 1 . 1 54 54 VAL CA C 13 65.702 0.3 . 1 . . . . . 54 VAL CA . 50007 2 572 . 1 . 1 54 54 VAL CB C 13 31.647 0.3 . 1 . . . . . 54 VAL CB . 50007 2 573 . 1 . 1 54 54 VAL CG1 C 13 22.235 0.3 . 1 . . . . . 54 VAL CG1 . 50007 2 574 . 1 . 1 54 54 VAL CG2 C 13 21.458 0.3 . 1 . . . . . 54 VAL CG2 . 50007 2 575 . 1 . 1 54 54 VAL N N 15 115.713 0.3 . 1 . . . . . 54 VAL N . 50007 2 576 . 1 . 1 55 55 GLU H H 1 7.814 0.020 . 1 . . . . . 55 GLU H . 50007 2 577 . 1 . 1 55 55 GLU HA H 1 4.034 0.020 . 1 . . . . . 55 GLU HA . 50007 2 578 . 1 . 1 55 55 GLU HB2 H 1 2.097 0.020 . 1 . . . . . 55 GLU HB2 . 50007 2 579 . 1 . 1 55 55 GLU HB3 H 1 2.097 0.020 . 1 . . . . . 55 GLU HB3 . 50007 2 580 . 1 . 1 55 55 GLU HG2 H 1 2.365 0.020 . 1 . . . . . 55 GLU HG2 . 50007 2 581 . 1 . 1 55 55 GLU HG3 H 1 2.365 0.020 . 1 . . . . . 55 GLU HG3 . 50007 2 582 . 1 . 1 55 55 GLU C C 13 178.425 0.3 . 1 . . . . . 55 GLU C . 50007 2 583 . 1 . 1 55 55 GLU CA C 13 58.569 0.3 . 1 . . . . . 55 GLU CA . 50007 2 584 . 1 . 1 55 55 GLU CB C 13 29.057 0.3 . 1 . . . . . 55 GLU CB . 50007 2 585 . 1 . 1 55 55 GLU CG C 13 35.619 0.3 . 1 . . . . . 55 GLU CG . 50007 2 586 . 1 . 1 55 55 GLU N N 15 119.107 0.3 . 1 . . . . . 55 GLU N . 50007 2 587 . 1 . 1 56 56 VAL H H 1 7.735 0.020 . 1 . . . . . 56 VAL H . 50007 2 588 . 1 . 1 56 56 VAL HA H 1 3.758 0.020 . 1 . . . . . 56 VAL HA . 50007 2 589 . 1 . 1 56 56 VAL HB H 1 2.153 0.020 . 1 . . . . . 56 VAL HB . 50007 2 590 . 1 . 1 56 56 VAL HG11 H 1 1.024 0.020 . 2 . . . . . 56 VAL HG1 . 50007 2 591 . 1 . 1 56 56 VAL HG12 H 1 1.024 0.020 . 2 . . . . . 56 VAL HG1 . 50007 2 592 . 1 . 1 56 56 VAL HG13 H 1 1.024 0.020 . 2 . . . . . 56 VAL HG1 . 50007 2 593 . 1 . 1 56 56 VAL HG21 H 1 0.933 0.020 . 2 . . . . . 56 VAL HG2 . 50007 2 594 . 1 . 1 56 56 VAL HG22 H 1 0.933 0.020 . 2 . . . . . 56 VAL HG2 . 50007 2 595 . 1 . 1 56 56 VAL HG23 H 1 0.933 0.020 . 2 . . . . . 56 VAL HG2 . 50007 2 596 . 1 . 1 56 56 VAL C C 13 177.543 0.3 . 1 . . . . . 56 VAL C . 50007 2 597 . 1 . 1 56 56 VAL CA C 13 65.362 0.3 . 1 . . . . . 56 VAL CA . 50007 2 598 . 1 . 1 56 56 VAL CB C 13 31.734 0.3 . 1 . . . . . 56 VAL CB . 50007 2 599 . 1 . 1 56 56 VAL CG1 C 13 21.976 0.3 . 1 . . . . . 56 VAL CG1 . 50007 2 600 . 1 . 1 56 56 VAL CG2 C 13 21.372 0.3 . 1 . . . . . 56 VAL CG2 . 50007 2 601 . 1 . 1 56 56 VAL N N 15 118.183 0.3 . 1 . . . . . 56 VAL N . 50007 2 602 . 1 . 1 57 57 LEU H H 1 7.867 0.020 . 1 . . . . . 57 LEU H . 50007 2 603 . 1 . 1 57 57 LEU HA H 1 4.044 0.020 . 1 . . . . . 57 LEU HA . 50007 2 604 . 1 . 1 57 57 LEU HB2 H 1 1.563 0.020 . 1 . . . . . 57 LEU HB2 . 50007 2 605 . 1 . 1 57 57 LEU HB3 H 1 1.563 0.020 . 1 . . . . . 57 LEU HB3 . 50007 2 606 . 1 . 1 57 57 LEU HG H 1 1.793 0.020 . 1 . . . . . 57 LEU HG . 50007 2 607 . 1 . 1 57 57 LEU HD11 H 1 0.854 0.020 . 1 . . . . . 57 LEU HD1 . 50007 2 608 . 1 . 1 57 57 LEU HD12 H 1 0.854 0.020 . 1 . . . . . 57 LEU HD1 . 50007 2 609 . 1 . 1 57 57 LEU HD13 H 1 0.854 0.020 . 1 . . . . . 57 LEU HD1 . 50007 2 610 . 1 . 1 57 57 LEU HD21 H 1 0.854 0.020 . 1 . . . . . 57 LEU HD2 . 50007 2 611 . 1 . 1 57 57 LEU HD22 H 1 0.854 0.020 . 1 . . . . . 57 LEU HD2 . 50007 2 612 . 1 . 1 57 57 LEU HD23 H 1 0.854 0.020 . 1 . . . . . 57 LEU HD2 . 50007 2 613 . 1 . 1 57 57 LEU C C 13 177.687 0.3 . 1 . . . . . 57 LEU C . 50007 2 614 . 1 . 1 57 57 LEU CA C 13 57.109 0.3 . 1 . . . . . 57 LEU CA . 50007 2 615 . 1 . 1 57 57 LEU CB C 13 41.750 0.3 . 1 . . . . . 57 LEU CB . 50007 2 616 . 1 . 1 57 57 LEU CG C 13 26.639 0.3 . 1 . . . . . 57 LEU CG . 50007 2 617 . 1 . 1 57 57 LEU CD1 C 13 24.998 0.3 . 1 . . . . . 57 LEU CD1 . 50007 2 618 . 1 . 1 57 57 LEU CD2 C 13 23.444 0.3 . 1 . . . . . 57 LEU CD2 . 50007 2 619 . 1 . 1 57 57 LEU N N 15 119.891 0.3 . 1 . . . . . 57 LEU N . 50007 2 620 . 1 . 1 58 58 LYS H H 1 7.854 0.020 . 1 . . . . . 58 LYS H . 50007 2 621 . 1 . 1 58 58 LYS HA H 1 4.061 0.020 . 1 . . . . . 58 LYS HA . 50007 2 622 . 1 . 1 58 58 LYS HB2 H 1 1.843 0.020 . 1 . . . . . 58 LYS HB2 . 50007 2 623 . 1 . 1 58 58 LYS HB3 H 1 1.843 0.020 . 1 . . . . . 58 LYS HB3 . 50007 2 624 . 1 . 1 58 58 LYS HG2 H 1 1.413 0.020 . 1 . . . . . 58 LYS HG2 . 50007 2 625 . 1 . 1 58 58 LYS HG3 H 1 1.413 0.020 . 1 . . . . . 58 LYS HG3 . 50007 2 626 . 1 . 1 58 58 LYS HD2 H 1 1.643 0.020 . 2 . . . . . 58 LYS HD2 . 50007 2 627 . 1 . 1 58 58 LYS HD3 H 1 1.576 0.020 . 2 . . . . . 58 LYS HD3 . 50007 2 628 . 1 . 1 58 58 LYS C C 13 176.797 0.3 . 1 . . . . . 58 LYS C . 50007 2 629 . 1 . 1 58 58 LYS CA C 13 58.060 0.3 . 1 . . . . . 58 LYS CA . 50007 2 630 . 1 . 1 58 58 LYS CB C 13 32.770 0.3 . 1 . . . . . 58 LYS CB . 50007 2 631 . 1 . 1 58 58 LYS CG C 13 25.171 0.3 . 1 . . . . . 58 LYS CG . 50007 2 632 . 1 . 1 58 58 LYS CD C 13 29.489 0.3 . 1 . . . . . 58 LYS CD . 50007 2 633 . 1 . 1 58 58 LYS CE C 13 41.836 0.3 . 1 . . . . . 58 LYS CE . 50007 2 634 . 1 . 1 58 58 LYS N N 15 115.713 0.3 . 1 . . . . . 58 LYS N . 50007 2 635 . 1 . 1 59 59 ARG H H 1 7.607 0.020 . 1 . . . . . 59 ARG H . 50007 2 636 . 1 . 1 59 59 ARG HA H 1 4.325 0.020 . 1 . . . . . 59 ARG HA . 50007 2 637 . 1 . 1 59 59 ARG HB2 H 1 1.938 0.020 . 2 . . . . . 59 ARG HB2 . 50007 2 638 . 1 . 1 59 59 ARG HB3 H 1 1.853 0.020 . 2 . . . . . 59 ARG HB3 . 50007 2 639 . 1 . 1 59 59 ARG HG2 H 1 1.683 0.020 . 1 . . . . . 59 ARG HG2 . 50007 2 640 . 1 . 1 59 59 ARG HG3 H 1 1.683 0.020 . 1 . . . . . 59 ARG HG3 . 50007 2 641 . 1 . 1 59 59 ARG C C 13 176.455 0.3 . 1 . . . . . 59 ARG C . 50007 2 642 . 1 . 1 59 59 ARG CA C 13 56.395 0.3 . 1 . . . . . 59 ARG CA . 50007 2 643 . 1 . 1 59 59 ARG CB C 13 30.611 0.3 . 1 . . . . . 59 ARG CB . 50007 2 644 . 1 . 1 59 59 ARG CG C 13 26.984 0.3 . 1 . . . . . 59 ARG CG . 50007 2 645 . 1 . 1 59 59 ARG CD C 13 43.218 0.3 . 1 . . . . . 59 ARG CD . 50007 2 646 . 1 . 1 59 59 ARG N N 15 117.088 0.3 . 1 . . . . . 59 ARG N . 50007 2 647 . 1 . 1 60 60 GLU H H 1 8.022 0.020 . 1 . . . . . 60 GLU H . 50007 2 648 . 1 . 1 60 60 GLU HA H 1 4.569 0.020 . 1 . . . . . 60 GLU HA . 50007 2 649 . 1 . 1 60 60 GLU HB2 H 1 2.070 0.020 . 1 . . . . . 60 GLU HB2 . 50007 2 650 . 1 . 1 60 60 GLU HB3 H 1 2.070 0.020 . 1 . . . . . 60 GLU HB3 . 50007 2 651 . 1 . 1 60 60 GLU HG2 H 1 2.370 0.020 . 2 . . . . . 60 GLU HG2 . 50007 2 652 . 1 . 1 60 60 GLU HG3 H 1 2.468 0.020 . 2 . . . . . 60 GLU HG3 . 50007 2 653 . 1 . 1 60 60 GLU C C 13 174.486 0.3 . 1 . . . . . 60 GLU C . 50007 2 654 . 1 . 1 60 60 GLU CA C 13 55.411 0.3 . 1 . . . . . 60 GLU CA . 50007 2 655 . 1 . 1 60 60 GLU CB C 13 29.143 0.3 . 1 . . . . . 60 GLU CB . 50007 2 656 . 1 . 1 60 60 GLU CG C 13 33.979 0.3 . 1 . . . . . 60 GLU CG . 50007 2 657 . 1 . 1 60 60 GLU N N 15 119.301 0.3 . 1 . . . . . 60 GLU N . 50007 2 658 . 1 . 1 61 61 PRO HA H 1 4.411 0.020 . 1 . . . . . 61 PRO HA . 50007 2 659 . 1 . 1 61 61 PRO HB2 H 1 2.193 0.020 . 2 . . . . . 61 PRO HB2 . 50007 2 660 . 1 . 1 61 61 PRO HB3 H 1 1.923 0.020 . 2 . . . . . 61 PRO HB3 . 50007 2 661 . 1 . 1 61 61 PRO HG2 H 1 2.030 0.020 . 1 . . . . . 61 PRO HG2 . 50007 2 662 . 1 . 1 61 61 PRO HG3 H 1 2.030 0.020 . 1 . . . . . 61 PRO HG3 . 50007 2 663 . 1 . 1 61 61 PRO HD2 H 1 3.774 0.020 . 2 . . . . . 61 PRO HD2 . 50007 2 664 . 1 . 1 61 61 PRO HD3 H 1 3.691 0.020 . 2 . . . . . 61 PRO HD3 . 50007 2 665 . 1 . 1 61 61 PRO C C 13 176.878 0.3 . 1 . . . . . 61 PRO C . 50007 2 666 . 1 . 1 61 61 PRO CA C 13 64.348 0.3 . 1 . . . . . 61 PRO CA . 50007 2 667 . 1 . 1 61 61 PRO CB C 13 31.475 0.3 . 1 . . . . . 61 PRO CB . 50007 2 668 . 1 . 1 61 61 PRO CG C 13 27.589 0.3 . 1 . . . . . 61 PRO CG . 50007 2 669 . 1 . 1 61 61 PRO CD C 13 50.385 0.3 . 1 . . . . . 61 PRO CD . 50007 2 670 . 1 . 1 62 62 LEU H H 1 8.060 0.020 . 1 . . . . . 62 LEU H . 50007 2 671 . 1 . 1 62 62 LEU HA H 1 4.175 0.020 . 1 . . . . . 62 LEU HA . 50007 2 672 . 1 . 1 62 62 LEU HB2 H 1 1.729 0.020 . 1 . . . . . 62 LEU HB2 . 50007 2 673 . 1 . 1 62 62 LEU HB3 H 1 1.729 0.020 . 1 . . . . . 62 LEU HB3 . 50007 2 674 . 1 . 1 62 62 LEU HG H 1 1.543 0.020 . 1 . . . . . 62 LEU HG . 50007 2 675 . 1 . 1 62 62 LEU HD11 H 1 0.938 0.020 . 2 . . . . . 62 LEU HD1 . 50007 2 676 . 1 . 1 62 62 LEU HD12 H 1 0.938 0.020 . 2 . . . . . 62 LEU HD1 . 50007 2 677 . 1 . 1 62 62 LEU HD13 H 1 0.938 0.020 . 2 . . . . . 62 LEU HD1 . 50007 2 678 . 1 . 1 62 62 LEU HD21 H 1 0.858 0.020 . 2 . . . . . 62 LEU HD2 . 50007 2 679 . 1 . 1 62 62 LEU HD22 H 1 0.858 0.020 . 2 . . . . . 62 LEU HD2 . 50007 2 680 . 1 . 1 62 62 LEU HD23 H 1 0.858 0.020 . 2 . . . . . 62 LEU HD2 . 50007 2 681 . 1 . 1 62 62 LEU C C 13 177.516 0.3 . 1 . . . . . 62 LEU C . 50007 2 682 . 1 . 1 62 62 LEU CA C 13 55.988 0.3 . 1 . . . . . 62 LEU CA . 50007 2 683 . 1 . 1 62 62 LEU CB C 13 41.491 0.3 . 1 . . . . . 62 LEU CB . 50007 2 684 . 1 . 1 62 62 LEU CG C 13 26.898 0.3 . 1 . . . . . 62 LEU CG . 50007 2 685 . 1 . 1 62 62 LEU CD1 C 13 24.739 0.3 . 1 . . . . . 62 LEU CD1 . 50007 2 686 . 1 . 1 62 62 LEU CD2 C 13 23.444 0.3 . 1 . . . . . 62 LEU CD2 . 50007 2 687 . 1 . 1 62 62 LEU N N 15 118.001 0.3 . 1 . . . . . 62 LEU N . 50007 2 688 . 1 . 1 63 63 ASN H H 1 8.105 0.020 . 1 . . . . . 63 ASN H . 50007 2 689 . 1 . 1 63 63 ASN HA H 1 4.551 0.020 . 1 . . . . . 63 ASN HA . 50007 2 690 . 1 . 1 63 63 ASN HB2 H 1 2.672 0.020 . 1 . . . . . 63 ASN HB2 . 50007 2 691 . 1 . 1 63 63 ASN HB3 H 1 2.672 0.020 . 1 . . . . . 63 ASN HB3 . 50007 2 692 . 1 . 1 63 63 ASN HD21 H 1 6.807 0.020 . 1 . . . . . 63 ASN HD21 . 50007 2 693 . 1 . 1 63 63 ASN HD22 H 1 7.458 0.020 . 1 . . . . . 63 ASN HD22 . 50007 2 694 . 1 . 1 63 63 ASN C C 13 174.990 0.3 . 1 . . . . . 63 ASN C . 50007 2 695 . 1 . 1 63 63 ASN CA C 13 53.916 0.3 . 1 . . . . . 63 ASN CA . 50007 2 696 . 1 . 1 63 63 ASN CB C 13 38.555 0.3 . 1 . . . . . 63 ASN CB . 50007 2 697 . 1 . 1 63 63 ASN N N 15 116.776 0.3 . 1 . . . . . 63 ASN N . 50007 2 698 . 1 . 1 64 64 TYR H H 1 7.714 0.020 . 1 . . . . . 64 TYR H . 50007 2 699 . 1 . 1 64 64 TYR HA H 1 4.551 0.020 . 1 . . . . . 64 TYR HA . 50007 2 700 . 1 . 1 64 64 TYR HB2 H 1 2.870 0.020 . 2 . . . . . 64 TYR HB2 . 50007 2 701 . 1 . 1 64 64 TYR HB3 H 1 3.072 0.020 . 2 . . . . . 64 TYR HB3 . 50007 2 702 . 1 . 1 64 64 TYR HD1 H 1 7.079 0.020 . 1 . . . . . 64 TYR HD1 . 50007 2 703 . 1 . 1 64 64 TYR HD2 H 1 7.079 0.020 . 1 . . . . . 64 TYR HD2 . 50007 2 704 . 1 . 1 64 64 TYR HE1 H 1 6.814 0.020 . 1 . . . . . 64 TYR HE1 . 50007 2 705 . 1 . 1 64 64 TYR HE2 H 1 6.814 0.020 . 1 . . . . . 64 TYR HE2 . 50007 2 706 . 1 . 1 64 64 TYR C C 13 174.783 0.3 . 1 . . . . . 64 TYR C . 50007 2 707 . 1 . 1 64 64 TYR CA C 13 58.467 0.3 . 1 . . . . . 64 TYR CA . 50007 2 708 . 1 . 1 64 64 TYR CB C 13 38.728 0.3 . 1 . . . . . 64 TYR CB . 50007 2 709 . 1 . 1 64 64 TYR N N 15 117.732 0.3 . 1 . . . . . 64 TYR N . 50007 2 710 . 1 . 1 65 65 LEU H H 1 7.610 0.020 . 1 . . . . . 65 LEU H . 50007 2 711 . 1 . 1 65 65 LEU HA H 1 4.510 0.020 . 1 . . . . . 65 LEU HA . 50007 2 712 . 1 . 1 65 65 LEU HB2 H 1 1.432 0.020 . 1 . . . . . 65 LEU HB2 . 50007 2 713 . 1 . 1 65 65 LEU HB3 H 1 1.432 0.020 . 1 . . . . . 65 LEU HB3 . 50007 2 714 . 1 . 1 65 65 LEU HG H 1 1.704 0.020 . 1 . . . . . 65 LEU HG . 50007 2 715 . 1 . 1 65 65 LEU HD11 H 1 0.911 0.020 . 1 . . . . . 65 LEU HD1 . 50007 2 716 . 1 . 1 65 65 LEU HD12 H 1 0.911 0.020 . 1 . . . . . 65 LEU HD1 . 50007 2 717 . 1 . 1 65 65 LEU HD13 H 1 0.911 0.020 . 1 . . . . . 65 LEU HD1 . 50007 2 718 . 1 . 1 65 65 LEU HD21 H 1 0.911 0.020 . 1 . . . . . 65 LEU HD2 . 50007 2 719 . 1 . 1 65 65 LEU HD22 H 1 0.911 0.020 . 1 . . . . . 65 LEU HD2 . 50007 2 720 . 1 . 1 65 65 LEU HD23 H 1 0.911 0.020 . 1 . . . . . 65 LEU HD2 . 50007 2 721 . 1 . 1 65 65 LEU C C 13 175.309 0.3 . 1 . . . . . 65 LEU C . 50007 2 722 . 1 . 1 65 65 LEU CA C 13 53.033 0.3 . 1 . . . . . 65 LEU CA . 50007 2 723 . 1 . 1 65 65 LEU CB C 13 42.009 0.3 . 1 . . . . . 65 LEU CB . 50007 2 724 . 1 . 1 65 65 LEU CG C 13 26.984 0.3 . 1 . . . . . 65 LEU CG . 50007 2 725 . 1 . 1 65 65 LEU CD1 C 13 25.430 0.3 . 1 . . . . . 65 LEU CD1 . 50007 2 726 . 1 . 1 65 65 LEU CD2 C 13 23.617 0.3 . 1 . . . . . 65 LEU CD2 . 50007 2 727 . 1 . 1 65 65 LEU N N 15 120.289 0.3 . 1 . . . . . 65 LEU N . 50007 2 728 . 1 . 1 66 66 PRO HA H 1 4.437 0.020 . 1 . . . . . 66 PRO HA . 50007 2 729 . 1 . 1 66 66 PRO HB2 H 1 2.144 0.020 . 2 . . . . . 66 PRO HB2 . 50007 2 730 . 1 . 1 66 66 PRO HB3 H 1 2.012 0.020 . 2 . . . . . 66 PRO HB3 . 50007 2 731 . 1 . 1 66 66 PRO HG2 H 1 1.819 0.020 . 1 . . . . . 66 PRO HG2 . 50007 2 732 . 1 . 1 66 66 PRO HG3 H 1 1.819 0.020 . 1 . . . . . 66 PRO HG3 . 50007 2 733 . 1 . 1 66 66 PRO HD2 H 1 3.432 0.020 . 2 . . . . . 66 PRO HD2 . 50007 2 734 . 1 . 1 66 66 PRO HD3 H 1 3.753 0.020 . 2 . . . . . 66 PRO HD3 . 50007 2 735 . 1 . 1 66 66 PRO C C 13 175.790 0.3 . 1 . . . . . 66 PRO C . 50007 2 736 . 1 . 1 66 66 PRO CA C 13 63.086 0.3 . 1 . . . . . 66 PRO CA . 50007 2 737 . 1 . 1 66 66 PRO CB C 13 30.697 0.3 . 1 . . . . . 66 PRO CB . 50007 2 738 . 1 . 1 66 66 PRO CG C 13 27.330 0.3 . 1 . . . . . 66 PRO CG . 50007 2 739 . 1 . 1 66 66 PRO CD C 13 50.089 0.3 . 1 . . . . . 66 PRO CD . 50007 2 740 . 1 . 1 67 67 LEU H H 1 7.861 0.020 . 1 . . . . . 67 LEU H . 50007 2 741 . 1 . 1 67 67 LEU HA H 1 4.289 0.020 . 1 . . . . . 67 LEU HA . 50007 2 742 . 1 . 1 67 67 LEU HB2 H 1 1.589 0.020 . 1 . . . . . 67 LEU HB2 . 50007 2 743 . 1 . 1 67 67 LEU HB3 H 1 1.589 0.020 . 1 . . . . . 67 LEU HB3 . 50007 2 744 . 1 . 1 67 67 LEU HG H 1 1.574 0.020 . 1 . . . . . 67 LEU HG . 50007 2 745 . 1 . 1 67 67 LEU HD11 H 1 0.891 0.020 . 1 . . . . . 67 LEU HD1 . 50007 2 746 . 1 . 1 67 67 LEU HD12 H 1 0.891 0.020 . 1 . . . . . 67 LEU HD1 . 50007 2 747 . 1 . 1 67 67 LEU HD13 H 1 0.891 0.020 . 1 . . . . . 67 LEU HD1 . 50007 2 748 . 1 . 1 67 67 LEU HD21 H 1 0.891 0.020 . 1 . . . . . 67 LEU HD2 . 50007 2 749 . 1 . 1 67 67 LEU HD22 H 1 0.891 0.020 . 1 . . . . . 67 LEU HD2 . 50007 2 750 . 1 . 1 67 67 LEU HD23 H 1 0.891 0.020 . 1 . . . . . 67 LEU HD2 . 50007 2 751 . 1 . 1 67 67 LEU C C 13 176.932 0.3 . 1 . . . . . 67 LEU C . 50007 2 752 . 1 . 1 67 67 LEU CA C 13 54.969 0.3 . 1 . . . . . 67 LEU CA . 50007 2 753 . 1 . 1 67 67 LEU CB C 13 42.527 0.3 . 1 . . . . . 67 LEU CB . 50007 2 754 . 1 . 1 67 67 LEU CG C 13 26.725 0.3 . 1 . . . . . 67 LEU CG . 50007 2 755 . 1 . 1 67 67 LEU CD1 C 13 24.998 0.3 . 1 . . . . . 67 LEU CD1 . 50007 2 756 . 1 . 1 67 67 LEU CD2 C 13 23.444 0.3 . 1 . . . . . 67 LEU CD2 . 50007 2 757 . 1 . 1 67 67 LEU N N 15 120.504 0.3 . 1 . . . . . 67 LEU N . 50007 2 758 . 1 . 1 68 68 LYS H H 1 8.197 0.020 . 1 . . . . . 68 LYS H . 50007 2 759 . 1 . 1 68 68 LYS HA H 1 4.281 0.020 . 1 . . . . . 68 LYS HA . 50007 2 760 . 1 . 1 68 68 LYS HB2 H 1 1.790 0.020 . 2 . . . . . 68 LYS HB2 . 50007 2 761 . 1 . 1 68 68 LYS HB3 H 1 1.716 0.020 . 2 . . . . . 68 LYS HB3 . 50007 2 762 . 1 . 1 68 68 LYS HG2 H 1 1.424 0.020 . 1 . . . . . 68 LYS HG2 . 50007 2 763 . 1 . 1 68 68 LYS HG3 H 1 1.424 0.020 . 1 . . . . . 68 LYS HG3 . 50007 2 764 . 1 . 1 68 68 LYS HD2 H 1 1.576 0.020 . 1 . . . . . 68 LYS HD2 . 50007 2 765 . 1 . 1 68 68 LYS HD3 H 1 1.576 0.020 . 1 . . . . . 68 LYS HD3 . 50007 2 766 . 1 . 1 68 68 LYS C C 13 176.222 0.3 . 1 . . . . . 68 LYS C . 50007 2 767 . 1 . 1 68 68 LYS CA C 13 56.090 0.3 . 1 . . . . . 68 LYS CA . 50007 2 768 . 1 . 1 68 68 LYS CB C 13 33.115 0.3 . 1 . . . . . 68 LYS CB . 50007 2 769 . 1 . 1 68 68 LYS CG C 13 24.567 0.3 . 1 . . . . . 68 LYS CG . 50007 2 770 . 1 . 1 68 68 LYS CD C 13 29.316 0.3 . 1 . . . . . 68 LYS CD . 50007 2 771 . 1 . 1 68 68 LYS CE C 13 42.009 0.3 . 1 . . . . . 68 LYS CE . 50007 2 772 . 1 . 1 68 68 LYS N N 15 121.030 0.3 . 1 . . . . . 68 LYS N . 50007 2 773 . 1 . 1 69 69 LYS H H 1 8.258 0.020 . 1 . . . . . 69 LYS H . 50007 2 774 . 1 . 1 69 69 LYS HA H 1 4.274 0.020 . 1 . . . . . 69 LYS HA . 50007 2 775 . 1 . 1 69 69 LYS HB2 H 1 1.775 0.020 . 2 . . . . . 69 LYS HB2 . 50007 2 776 . 1 . 1 69 69 LYS HB3 H 1 1.705 0.020 . 2 . . . . . 69 LYS HB3 . 50007 2 777 . 1 . 1 69 69 LYS HG2 H 1 1.411 0.020 . 1 . . . . . 69 LYS HG2 . 50007 2 778 . 1 . 1 69 69 LYS HG3 H 1 1.411 0.020 . 1 . . . . . 69 LYS HG3 . 50007 2 779 . 1 . 1 69 69 LYS HD2 H 1 1.575 0.020 . 1 . . . . . 69 LYS HD2 . 50007 2 780 . 1 . 1 69 69 LYS HD3 H 1 1.575 0.020 . 1 . . . . . 69 LYS HD3 . 50007 2 781 . 1 . 1 69 69 LYS HE2 H 1 2.992 0.020 . 1 . . . . . 69 LYS HE2 . 50007 2 782 . 1 . 1 69 69 LYS HE3 H 1 2.992 0.020 . 1 . . . . . 69 LYS HE3 . 50007 2 783 . 1 . 1 69 69 LYS C C 13 176.258 0.3 . 1 . . . . . 69 LYS C . 50007 2 784 . 1 . 1 69 69 LYS CA C 13 56.192 0.3 . 1 . . . . . 69 LYS CA . 50007 2 785 . 1 . 1 69 69 LYS CB C 13 33.115 0.3 . 1 . . . . . 69 LYS CB . 50007 2 786 . 1 . 1 69 69 LYS CG C 13 24.480 0.3 . 1 . . . . . 69 LYS CG . 50007 2 787 . 1 . 1 69 69 LYS CD C 13 29.143 0.3 . 1 . . . . . 69 LYS CD . 50007 2 788 . 1 . 1 69 69 LYS CE C 13 42.009 0.3 . 1 . . . . . 69 LYS CE . 50007 2 789 . 1 . 1 69 69 LYS N N 15 122.852 0.3 . 1 . . . . . 69 LYS N . 50007 2 790 . 1 . 1 70 70 LYS H H 1 8.299 0.020 . 1 . . . . . 70 LYS H . 50007 2 791 . 1 . 1 70 70 LYS HA H 1 4.259 0.020 . 1 . . . . . 70 LYS HA . 50007 2 792 . 1 . 1 70 70 LYS HB2 H 1 1.776 0.020 . 2 . . . . . 70 LYS HB2 . 50007 2 793 . 1 . 1 70 70 LYS HB3 H 1 1.726 0.020 . 2 . . . . . 70 LYS HB3 . 50007 2 794 . 1 . 1 70 70 LYS HG2 H 1 1.411 0.020 . 1 . . . . . 70 LYS HG2 . 50007 2 795 . 1 . 1 70 70 LYS HG3 H 1 1.411 0.020 . 1 . . . . . 70 LYS HG3 . 50007 2 796 . 1 . 1 70 70 LYS HD2 H 1 1.655 0.020 . 1 . . . . . 70 LYS HD2 . 50007 2 797 . 1 . 1 70 70 LYS HD3 H 1 1.655 0.020 . 1 . . . . . 70 LYS HD3 . 50007 2 798 . 1 . 1 70 70 LYS C C 13 176.114 0.3 . 1 . . . . . 70 LYS C . 50007 2 799 . 1 . 1 70 70 LYS CA C 13 56.293 0.3 . 1 . . . . . 70 LYS CA . 50007 2 800 . 1 . 1 70 70 LYS CB C 13 33.115 0.3 . 1 . . . . . 70 LYS CB . 50007 2 801 . 1 . 1 70 70 LYS CG C 13 24.567 0.3 . 1 . . . . . 70 LYS CG . 50007 2 802 . 1 . 1 70 70 LYS CD C 13 29.316 0.3 . 1 . . . . . 70 LYS CD . 50007 2 803 . 1 . 1 70 70 LYS CE C 13 42.009 0.3 . 1 . . . . . 70 LYS CE . 50007 2 804 . 1 . 1 70 70 LYS N N 15 123.240 0.3 . 1 . . . . . 70 LYS N . 50007 2 805 . 1 . 1 71 71 LYS H H 1 8.332 0.020 . 1 . . . . . 71 LYS H . 50007 2 806 . 1 . 1 71 71 LYS HA H 1 4.269 0.020 . 1 . . . . . 71 LYS HA . 50007 2 807 . 1 . 1 71 71 LYS HB2 H 1 1.813 0.020 . 2 . . . . . 71 LYS HB2 . 50007 2 808 . 1 . 1 71 71 LYS HB3 H 1 1.726 0.020 . 2 . . . . . 71 LYS HB3 . 50007 2 809 . 1 . 1 71 71 LYS C C 13 175.241 0.3 . 1 . . . . . 71 LYS C . 50007 2 810 . 1 . 1 71 71 LYS CA C 13 56.361 0.3 . 1 . . . . . 71 LYS CA . 50007 2 811 . 1 . 1 71 71 LYS CB C 13 33.029 0.3 . 1 . . . . . 71 LYS CB . 50007 2 812 . 1 . 1 71 71 LYS CG C 13 24.567 0.3 . 1 . . . . . 71 LYS CG . 50007 2 813 . 1 . 1 71 71 LYS CD C 13 29.057 0.3 . 1 . . . . . 71 LYS CD . 50007 2 814 . 1 . 1 71 71 LYS CE C 13 41.923 0.3 . 1 . . . . . 71 LYS CE . 50007 2 815 . 1 . 1 71 71 LYS N N 15 123.640 0.3 . 1 . . . . . 71 LYS N . 50007 2 816 . 1 . 1 72 72 ASP H H 1 7.965 0.020 . 1 . . . . . 72 ASP H . 50007 2 817 . 1 . 1 72 72 ASP HA H 1 4.289 0.020 . 1 . . . . . 72 ASP HA . 50007 2 818 . 1 . 1 72 72 ASP HB2 H 1 2.595 0.020 . 1 . . . . . 72 ASP HB2 . 50007 2 819 . 1 . 1 72 72 ASP HB3 H 1 2.595 0.020 . 1 . . . . . 72 ASP HB3 . 50007 2 820 . 1 . 1 72 72 ASP CA C 13 55.071 0.3 . 1 . . . . . 72 ASP CA . 50007 2 821 . 1 . 1 72 72 ASP CB C 13 41.956 0.3 . 1 . . . . . 72 ASP CB . 50007 2 822 . 1 . 1 72 72 ASP N N 15 126.551 0.3 . 1 . . . . . 72 ASP N . 50007 2 stop_ save_