data_34073 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34073 _Entry.Title ; Trypanosoma brucei Pex14 N-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-09 _Entry.Accession_date 2016-12-09 _Entry.Last_release_date 2017-02-28 _Entry.Original_release_date 2017-02-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 L. Emmanouilidis L. . . . 34073 2 K. Tripsianes K. . . . 34073 3 M. Sattler M. . . . 34073 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Peroxin 14' . 34073 Pex14 . 34073 Trypanosoma . 34073 peroxisome . 34073 'signaling protein' . 34073 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34073 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 245 34073 '15N chemical shifts' 68 34073 '1H chemical shifts' 500 34073 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-03-01 . original BMRB . 34073 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5MMC 'BMRB Entry Tracking System' 34073 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34073 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Novel therapeutic routes to treat trypanosomiases by targeting glycosomal import ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 D. Dawidowski D. . . . 34073 1 2 L. Emmanouilidis L. . . . 34073 1 3 V. Kalel V. C. . . 34073 1 4 K. Tripsianes K. . . . 34073 1 5 K. Schorpp K. . . . 34073 1 6 K. Hadian K. . . . 34073 1 7 M. Kaiser M. . . . 34073 1 8 P. Maeser P. . . . 34073 1 9 M. Kolonko M. . . . 34073 1 10 S. Tanghe S. . . . 34073 1 11 A. Rodriguez A. . . . 34073 1 12 W. Schliebs W. . . . 34073 1 13 R. Erdmann R. . . . 34073 1 14 M. Sattler M. . . . 34073 1 15 G. Popowicz G. M. . . 34073 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34073 _Assembly.ID 1 _Assembly.Name 'Peroxin 14' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34073 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34073 _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 ; KPEVEHTHSEREKRVSNAVE FLLDSRVRRTPTSSKVHFLK SKGLSAEEICEAFTKVGQPK TLNEIKRILS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8021.192 _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 15 LYS . 34073 1 2 16 PRO . 34073 1 3 17 GLU . 34073 1 4 18 VAL . 34073 1 5 19 GLU . 34073 1 6 20 HIS . 34073 1 7 21 THR . 34073 1 8 22 HIS . 34073 1 9 23 SER . 34073 1 10 24 GLU . 34073 1 11 25 ARG . 34073 1 12 26 GLU . 34073 1 13 27 LYS . 34073 1 14 28 ARG . 34073 1 15 29 VAL . 34073 1 16 30 SER . 34073 1 17 31 ASN . 34073 1 18 32 ALA . 34073 1 19 33 VAL . 34073 1 20 34 GLU . 34073 1 21 35 PHE . 34073 1 22 36 LEU . 34073 1 23 37 LEU . 34073 1 24 38 ASP . 34073 1 25 39 SER . 34073 1 26 40 ARG . 34073 1 27 41 VAL . 34073 1 28 42 ARG . 34073 1 29 43 ARG . 34073 1 30 44 THR . 34073 1 31 45 PRO . 34073 1 32 46 THR . 34073 1 33 47 SER . 34073 1 34 48 SER . 34073 1 35 49 LYS . 34073 1 36 50 VAL . 34073 1 37 51 HIS . 34073 1 38 52 PHE . 34073 1 39 53 LEU . 34073 1 40 54 LYS . 34073 1 41 55 SER . 34073 1 42 56 LYS . 34073 1 43 57 GLY . 34073 1 44 58 LEU . 34073 1 45 59 SER . 34073 1 46 60 ALA . 34073 1 47 61 GLU . 34073 1 48 62 GLU . 34073 1 49 63 ILE . 34073 1 50 64 CYS . 34073 1 51 65 GLU . 34073 1 52 66 ALA . 34073 1 53 67 PHE . 34073 1 54 68 THR . 34073 1 55 69 LYS . 34073 1 56 70 VAL . 34073 1 57 71 GLY . 34073 1 58 72 GLN . 34073 1 59 73 PRO . 34073 1 60 74 LYS . 34073 1 61 75 THR . 34073 1 62 76 LEU . 34073 1 63 77 ASN . 34073 1 64 78 GLU . 34073 1 65 79 ILE . 34073 1 66 80 LYS . 34073 1 67 81 ARG . 34073 1 68 82 ILE . 34073 1 69 83 LEU . 34073 1 70 84 SER . 34073 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 . LYS 1 1 34073 1 . PRO 2 2 34073 1 . GLU 3 3 34073 1 . VAL 4 4 34073 1 . GLU 5 5 34073 1 . HIS 6 6 34073 1 . THR 7 7 34073 1 . HIS 8 8 34073 1 . SER 9 9 34073 1 . GLU 10 10 34073 1 . ARG 11 11 34073 1 . GLU 12 12 34073 1 . LYS 13 13 34073 1 . ARG 14 14 34073 1 . VAL 15 15 34073 1 . SER 16 16 34073 1 . ASN 17 17 34073 1 . ALA 18 18 34073 1 . VAL 19 19 34073 1 . GLU 20 20 34073 1 . PHE 21 21 34073 1 . LEU 22 22 34073 1 . LEU 23 23 34073 1 . ASP 24 24 34073 1 . SER 25 25 34073 1 . ARG 26 26 34073 1 . VAL 27 27 34073 1 . ARG 28 28 34073 1 . ARG 29 29 34073 1 . THR 30 30 34073 1 . PRO 31 31 34073 1 . THR 32 32 34073 1 . SER 33 33 34073 1 . SER 34 34 34073 1 . LYS 35 35 34073 1 . VAL 36 36 34073 1 . HIS 37 37 34073 1 . PHE 38 38 34073 1 . LEU 39 39 34073 1 . LYS 40 40 34073 1 . SER 41 41 34073 1 . LYS 42 42 34073 1 . GLY 43 43 34073 1 . LEU 44 44 34073 1 . SER 45 45 34073 1 . ALA 46 46 34073 1 . GLU 47 47 34073 1 . GLU 48 48 34073 1 . ILE 49 49 34073 1 . CYS 50 50 34073 1 . GLU 51 51 34073 1 . ALA 52 52 34073 1 . PHE 53 53 34073 1 . THR 54 54 34073 1 . LYS 55 55 34073 1 . VAL 56 56 34073 1 . GLY 57 57 34073 1 . GLN 58 58 34073 1 . PRO 59 59 34073 1 . LYS 60 60 34073 1 . THR 61 61 34073 1 . LEU 62 62 34073 1 . ASN 63 63 34073 1 . GLU 64 64 34073 1 . ILE 65 65 34073 1 . LYS 66 66 34073 1 . ARG 67 67 34073 1 . ILE 68 68 34073 1 . LEU 69 69 34073 1 . SER 70 70 34073 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34073 _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 . 5702 organism . 'Trypanosoma brucei' 'Trypanosoma brucei brucei' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . PEX14 . 34073 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34073 _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' . . 562 Escherichia coli . . . . . . . . . . 34073 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34073 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-99% 13C; U-99% 15N] Pex14, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _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 Pex14 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34073 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34073 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 34073 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34073 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34073 1 pH 6.5 . pH 34073 1 pressure 1 . atm 34073 1 temperature 298 . K 34073 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34073 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 34073 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34073 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34073 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34073 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34073 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34073 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34073 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34073 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34073 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34073 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34073 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34073 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34073 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34073 5 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 34073 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34073 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34073 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 500 . . . 34073 1 2 NMR_spectrometer_2 Bruker Avance . 900 . . . 34073 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34073 _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 . . . . . . . . . . . . . . . . 34073 1 2 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34073 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34073 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34073 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34073 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34073 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34073 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34073 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 34073 _Chem_shift_reference.ID 1 _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 0.000 internal indirect 0.25144953 . . . . . 34073 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34073 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34073 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 34073 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34073 1 2 '3D HCCH-TOCSY' . . . 34073 1 3 '3D HNCA' . . . 34073 1 4 '3D HNCACB' . . . 34073 1 5 '3D 1H-13C NOESY' . . . 34073 1 6 '3D 1H-15N NOESY' . . . 34073 1 7 '3D 1H-13C NOESY aromatic' . . . 34073 1 8 '3D CBCA(CO)NH' . . . 34073 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS H H 1 8.328 0.019 . 1 . 2 . A 15 LYS H1 . 34073 1 2 . 1 1 1 1 LYS HA H 1 4.641 0.020 . 1 . 4 . A 15 LYS HA . 34073 1 3 . 1 1 1 1 LYS HB2 H 1 1.851 0.020 . 2 . 6 . A 15 LYS HB2 . 34073 1 4 . 1 1 1 1 LYS HB3 H 1 1.736 0.020 . 2 . 7 . A 15 LYS HB3 . 34073 1 5 . 1 1 1 1 LYS HG2 H 1 1.492 0.020 . 2 . 9 . A 15 LYS HG2 . 34073 1 6 . 1 1 1 1 LYS HG3 H 1 1.448 0.020 . 2 . 10 . A 15 LYS HG3 . 34073 1 7 . 1 1 1 1 LYS CA C 13 54.317 0.200 . 1 . 3 . A 15 LYS CA . 34073 1 8 . 1 1 1 1 LYS CB C 13 32.543 0.022 . 1 . 5 . A 15 LYS CB . 34073 1 9 . 1 1 1 1 LYS CG C 13 24.624 0.052 . 1 . 8 . A 15 LYS CG . 34073 1 10 . 1 1 1 1 LYS N N 15 124.192 0.204 . 1 . 1 . A 15 LYS N . 34073 1 11 . 1 1 2 2 PRO HA H 1 4.418 0.020 . 1 . 13 . A 16 PRO HA . 34073 1 12 . 1 1 2 2 PRO HB2 H 1 2.300 0.022 . 2 . 15 . A 16 PRO HB2 . 34073 1 13 . 1 1 2 2 PRO HB3 H 1 1.894 0.005 . 2 . 16 . A 16 PRO HB3 . 34073 1 14 . 1 1 2 2 PRO HG2 H 1 2.027 0.004 . 1 . 18 . A 16 PRO HG2 . 34073 1 15 . 1 1 2 2 PRO HG3 H 1 2.027 0.004 . 1 . 700 . A 16 PRO HG3 . 34073 1 16 . 1 1 2 2 PRO HD2 H 1 3.816 0.020 . 2 . 19 . A 16 PRO HD2 . 34073 1 17 . 1 1 2 2 PRO HD3 H 1 3.675 0.020 . 2 . 20 . A 16 PRO HD3 . 34073 1 18 . 1 1 2 2 PRO CA C 13 63.324 0.004 . 1 . 12 . A 16 PRO CA . 34073 1 19 . 1 1 2 2 PRO CB C 13 32.109 0.047 . 1 . 14 . A 16 PRO CB . 34073 1 20 . 1 1 2 2 PRO CG C 13 27.429 0.034 . 1 . 17 . A 16 PRO CG . 34073 1 21 . 1 1 2 2 PRO CD C 13 50.655 0.012 . 1 . 11 . A 16 PRO CD . 34073 1 22 . 1 1 3 3 GLU H H 1 8.583 0.020 . 1 . 22 . A 17 GLU H . 34073 1 23 . 1 1 3 3 GLU HA H 1 4.274 0.020 . 1 . 24 . A 17 GLU HA . 34073 1 24 . 1 1 3 3 GLU HB2 H 1 2.027 0.020 . 2 . 26 . A 17 GLU HB2 . 34073 1 25 . 1 1 3 3 GLU HB3 H 1 1.949 0.020 . 2 . 27 . A 17 GLU HB3 . 34073 1 26 . 1 1 3 3 GLU HG2 H 1 2.298 0.020 . 1 . 701 . A 17 GLU HG2 . 34073 1 27 . 1 1 3 3 GLU HG3 H 1 2.298 0.020 . 1 . 29 . A 17 GLU HG3 . 34073 1 28 . 1 1 3 3 GLU CA C 13 56.829 0.025 . 1 . 23 . A 17 GLU CA . 34073 1 29 . 1 1 3 3 GLU CB C 13 30.307 0.067 . 1 . 25 . A 17 GLU CB . 34073 1 30 . 1 1 3 3 GLU CG C 13 36.409 0.200 . 1 . 28 . A 17 GLU CG . 34073 1 31 . 1 1 3 3 GLU N N 15 121.368 0.092 . 1 . 21 . A 17 GLU N . 34073 1 32 . 1 1 4 4 VAL H H 1 8.128 0.002 . 1 . 31 . A 18 VAL H . 34073 1 33 . 1 1 4 4 VAL HA H 1 4.084 0.020 . 1 . 33 . A 18 VAL HA . 34073 1 34 . 1 1 4 4 VAL HB H 1 2.050 0.020 . 1 . 35 . A 18 VAL HB . 34073 1 35 . 1 1 4 4 VAL HG11 H 1 0.913 0.020 . 1 . 36 . A 18 VAL HG11 . 34073 1 36 . 1 1 4 4 VAL HG12 H 1 0.913 0.020 . 1 . 36 . A 18 VAL HG12 . 34073 1 37 . 1 1 4 4 VAL HG13 H 1 0.913 0.020 . 1 . 36 . A 18 VAL HG13 . 34073 1 38 . 1 1 4 4 VAL HG21 H 1 0.913 0.020 . 1 . 702 . A 18 VAL HG21 . 34073 1 39 . 1 1 4 4 VAL HG22 H 1 0.913 0.020 . 1 . 702 . A 18 VAL HG22 . 34073 1 40 . 1 1 4 4 VAL HG23 H 1 0.913 0.020 . 1 . 702 . A 18 VAL HG23 . 34073 1 41 . 1 1 4 4 VAL CA C 13 62.383 0.038 . 1 . 32 . A 18 VAL CA . 34073 1 42 . 1 1 4 4 VAL CB C 13 32.853 0.058 . 1 . 34 . A 18 VAL CB . 34073 1 43 . 1 1 4 4 VAL CG1 C 13 20.703 0.112 . 2 . 37 . A 18 VAL CG1 . 34073 1 44 . 1 1 4 4 VAL CG2 C 13 21.096 0.200 . 2 . 38 . A 18 VAL CG2 . 34073 1 45 . 1 1 4 4 VAL N N 15 120.792 0.174 . 1 . 30 . A 18 VAL N . 34073 1 46 . 1 1 5 5 GLU H H 1 8.429 0.020 . 1 . 40 . A 19 GLU H . 34073 1 47 . 1 1 5 5 GLU HA H 1 4.242 0.020 . 1 . 42 . A 19 GLU HA . 34073 1 48 . 1 1 5 5 GLU HB2 H 1 1.925 0.020 . 2 . 44 . A 19 GLU HB2 . 34073 1 49 . 1 1 5 5 GLU HB3 H 1 1.975 0.020 . 2 . 45 . A 19 GLU HB3 . 34073 1 50 . 1 1 5 5 GLU HG2 H 1 2.182 0.012 . 2 . 47 . A 19 GLU HG2 . 34073 1 51 . 1 1 5 5 GLU HG3 H 1 2.254 0.020 . 2 . 48 . A 19 GLU HG3 . 34073 1 52 . 1 1 5 5 GLU CA C 13 56.794 0.048 . 1 . 41 . A 19 GLU CA . 34073 1 53 . 1 1 5 5 GLU CB C 13 30.359 0.067 . 1 . 43 . A 19 GLU CB . 34073 1 54 . 1 1 5 5 GLU CG C 13 36.312 0.066 . 1 . 46 . A 19 GLU CG . 34073 1 55 . 1 1 5 5 GLU N N 15 124.178 0.045 . 1 . 39 . A 19 GLU N . 34073 1 56 . 1 1 6 6 HIS HA H 1 4.721 0.008 . 1 . 49 . A 20 HIS HA . 34073 1 57 . 1 1 6 6 HIS HB2 H 1 3.190 0.020 . 2 . 51 . A 20 HIS HB2 . 34073 1 58 . 1 1 6 6 HIS HB3 H 1 3.132 0.005 . 2 . 52 . A 20 HIS HB3 . 34073 1 59 . 1 1 6 6 HIS HD2 H 1 7.114 0.004 . 1 . 54 . A 20 HIS HD2 . 34073 1 60 . 1 1 6 6 HIS CB C 13 30.191 0.052 . 1 . 50 . A 20 HIS CB . 34073 1 61 . 1 1 6 6 HIS CD2 C 13 119.843 0.200 . 1 . 53 . A 20 HIS CD2 . 34073 1 62 . 1 1 7 7 THR H H 1 8.200 0.003 . 1 . 56 . A 21 THR H . 34073 1 63 . 1 1 7 7 THR HA H 1 4.234 0.020 . 1 . 58 . A 21 THR HA . 34073 1 64 . 1 1 7 7 THR HB H 1 4.197 0.020 . 1 . 60 . A 21 THR HB . 34073 1 65 . 1 1 7 7 THR HG21 H 1 1.174 0.020 . 1 . 61 . A 21 THR HG21 . 34073 1 66 . 1 1 7 7 THR HG22 H 1 1.174 0.020 . 1 . 61 . A 21 THR HG22 . 34073 1 67 . 1 1 7 7 THR HG23 H 1 1.174 0.020 . 1 . 61 . A 21 THR HG23 . 34073 1 68 . 1 1 7 7 THR CA C 13 62.615 0.008 . 1 . 57 . A 21 THR CA . 34073 1 69 . 1 1 7 7 THR CB C 13 69.733 0.200 . 1 . 59 . A 21 THR CB . 34073 1 70 . 1 1 7 7 THR CG2 C 13 21.668 0.200 . 1 . 62 . A 21 THR CG2 . 34073 1 71 . 1 1 7 7 THR N N 15 115.310 0.003 . 1 . 55 . A 21 THR N . 34073 1 72 . 1 1 8 8 HIS HA H 1 4.692 0.020 . 1 . 63 . A 22 HIS HA . 34073 1 73 . 1 1 8 8 HIS HB2 H 1 3.235 0.005 . 2 . 65 . A 22 HIS HB2 . 34073 1 74 . 1 1 8 8 HIS HB3 H 1 3.132 0.005 . 2 . 66 . A 22 HIS HB3 . 34073 1 75 . 1 1 8 8 HIS HD2 H 1 7.131 0.001 . 1 . 68 . A 22 HIS HD2 . 34073 1 76 . 1 1 8 8 HIS CB C 13 30.292 0.041 . 1 . 64 . A 22 HIS CB . 34073 1 77 . 1 1 8 8 HIS CD2 C 13 119.630 0.102 . 1 . 67 . A 22 HIS CD2 . 34073 1 78 . 1 1 9 9 SER H H 1 8.502 0.017 . 1 . 70 . A 23 SER H . 34073 1 79 . 1 1 9 9 SER HA H 1 4.427 0.002 . 1 . 72 . A 23 SER HA . 34073 1 80 . 1 1 9 9 SER HB2 H 1 4.114 0.002 . 2 . 74 . A 23 SER HB2 . 34073 1 81 . 1 1 9 9 SER HB3 H 1 3.973 0.020 . 2 . 75 . A 23 SER HB3 . 34073 1 82 . 1 1 9 9 SER CA C 13 59.102 0.032 . 1 . 71 . A 23 SER CA . 34073 1 83 . 1 1 9 9 SER CB C 13 63.944 0.048 . 1 . 73 . A 23 SER CB . 34073 1 84 . 1 1 9 9 SER N N 15 117.154 0.076 . 1 . 69 . A 23 SER N . 34073 1 85 . 1 1 10 10 GLU H H 1 8.640 0.020 . 1 . 77 . A 24 GLU H . 34073 1 86 . 1 1 10 10 GLU HA H 1 4.132 0.003 . 1 . 79 . A 24 GLU HA . 34073 1 87 . 1 1 10 10 GLU HB2 H 1 2.127 0.009 . 2 . 81 . A 24 GLU HB2 . 34073 1 88 . 1 1 10 10 GLU HB3 H 1 2.071 0.003 . 2 . 82 . A 24 GLU HB3 . 34073 1 89 . 1 1 10 10 GLU HG2 H 1 2.327 0.001 . 2 . 84 . A 24 GLU HG2 . 34073 1 90 . 1 1 10 10 GLU HG3 H 1 2.404 0.011 . 2 . 85 . A 24 GLU HG3 . 34073 1 91 . 1 1 10 10 GLU CA C 13 58.965 0.150 . 1 . 78 . A 24 GLU CA . 34073 1 92 . 1 1 10 10 GLU CB C 13 29.366 0.062 . 1 . 80 . A 24 GLU CB . 34073 1 93 . 1 1 10 10 GLU CG C 13 36.599 0.030 . 1 . 83 . A 24 GLU CG . 34073 1 94 . 1 1 10 10 GLU N N 15 122.294 0.109 . 1 . 76 . A 24 GLU N . 34073 1 95 . 1 1 11 11 ARG H H 1 8.229 0.006 . 1 . 87 . A 25 ARG H . 34073 1 96 . 1 1 11 11 ARG HA H 1 3.863 0.020 . 1 . 89 . A 25 ARG HA . 34073 1 97 . 1 1 11 11 ARG HB2 H 1 1.768 0.020 . 2 . 91 . A 25 ARG HB2 . 34073 1 98 . 1 1 11 11 ARG HB3 H 1 1.881 0.020 . 2 . 92 . A 25 ARG HB3 . 34073 1 99 . 1 1 11 11 ARG HG2 H 1 1.618 0.020 . 2 . 94 . A 25 ARG HG2 . 34073 1 100 . 1 1 11 11 ARG HG3 H 1 1.778 0.004 . 2 . 95 . A 25 ARG HG3 . 34073 1 101 . 1 1 11 11 ARG HD2 H 1 3.190 0.005 . 1 . 97 . A 25 ARG HD2 . 34073 1 102 . 1 1 11 11 ARG HD3 H 1 3.190 0.005 . 1 . 703 . A 25 ARG HD3 . 34073 1 103 . 1 1 11 11 ARG HE H 1 7.543 0.010 . 1 . 99 . A 25 ARG HE . 34073 1 104 . 1 1 11 11 ARG CA C 13 59.811 0.047 . 1 . 88 . A 25 ARG CA . 34073 1 105 . 1 1 11 11 ARG CB C 13 30.018 0.048 . 1 . 90 . A 25 ARG CB . 34073 1 106 . 1 1 11 11 ARG CG C 13 26.703 0.092 . 1 . 93 . A 25 ARG CG . 34073 1 107 . 1 1 11 11 ARG CD C 13 43.566 0.066 . 1 . 96 . A 25 ARG CD . 34073 1 108 . 1 1 11 11 ARG N N 15 121.316 0.056 . 1 . 86 . A 25 ARG N . 34073 1 109 . 1 1 11 11 ARG NE N 15 85.919 0.106 . 1 . 98 . A 25 ARG NE . 34073 1 110 . 1 1 12 12 GLU H H 1 8.061 0.020 . 1 . 101 . A 26 GLU H . 34073 1 111 . 1 1 12 12 GLU HA H 1 3.952 0.001 . 1 . 103 . A 26 GLU HA . 34073 1 112 . 1 1 12 12 GLU HB2 H 1 2.127 0.006 . 2 . 105 . A 26 GLU HB2 . 34073 1 113 . 1 1 12 12 GLU HB3 H 1 2.056 0.001 . 2 . 106 . A 26 GLU HB3 . 34073 1 114 . 1 1 12 12 GLU HG2 H 1 2.277 0.004 . 2 . 108 . A 26 GLU HG2 . 34073 1 115 . 1 1 12 12 GLU HG3 H 1 2.339 0.002 . 2 . 109 . A 26 GLU HG3 . 34073 1 116 . 1 1 12 12 GLU CA C 13 59.383 0.044 . 1 . 102 . A 26 GLU CA . 34073 1 117 . 1 1 12 12 GLU CB C 13 29.353 0.062 . 1 . 104 . A 26 GLU CB . 34073 1 118 . 1 1 12 12 GLU CG C 13 36.683 0.029 . 1 . 107 . A 26 GLU CG . 34073 1 119 . 1 1 12 12 GLU N N 15 117.739 0.021 . 1 . 100 . A 26 GLU N . 34073 1 120 . 1 1 13 13 LYS H H 1 7.852 0.002 . 1 . 111 . A 27 LYS H . 34073 1 121 . 1 1 13 13 LYS HA H 1 4.089 0.020 . 1 . 113 . A 27 LYS HA . 34073 1 122 . 1 1 13 13 LYS HB2 H 1 1.904 0.020 . 1 . 704 . A 27 LYS HB2 . 34073 1 123 . 1 1 13 13 LYS HB3 H 1 1.904 0.020 . 1 . 115 . A 27 LYS HB3 . 34073 1 124 . 1 1 13 13 LYS HG2 H 1 1.553 0.020 . 2 . 117 . A 27 LYS HG2 . 34073 1 125 . 1 1 13 13 LYS HG3 H 1 1.425 0.020 . 2 . 118 . A 27 LYS HG3 . 34073 1 126 . 1 1 13 13 LYS HD2 H 1 1.677 0.020 . 1 . 705 . A 27 LYS HD2 . 34073 1 127 . 1 1 13 13 LYS HD3 H 1 1.677 0.020 . 1 . 120 . A 27 LYS HD3 . 34073 1 128 . 1 1 13 13 LYS HE2 H 1 2.953 0.014 . 1 . 706 . A 27 LYS HE2 . 34073 1 129 . 1 1 13 13 LYS HE3 H 1 2.953 0.014 . 1 . 121 . A 27 LYS HE3 . 34073 1 130 . 1 1 13 13 LYS CA C 13 59.297 0.133 . 1 . 112 . A 27 LYS CA . 34073 1 131 . 1 1 13 13 LYS CB C 13 32.264 0.050 . 1 . 114 . A 27 LYS CB . 34073 1 132 . 1 1 13 13 LYS CG C 13 24.897 0.148 . 1 . 116 . A 27 LYS CG . 34073 1 133 . 1 1 13 13 LYS CD C 13 29.270 0.200 . 1 . 119 . A 27 LYS CD . 34073 1 134 . 1 1 13 13 LYS N N 15 120.215 0.029 . 1 . 110 . A 27 LYS N . 34073 1 135 . 1 1 14 14 ARG H H 1 8.006 0.016 . 1 . 123 . A 28 ARG H . 34073 1 136 . 1 1 14 14 ARG HA H 1 4.078 0.020 . 1 . 125 . A 28 ARG HA . 34073 1 137 . 1 1 14 14 ARG HB2 H 1 2.160 0.020 . 2 . 127 . A 28 ARG HB2 . 34073 1 138 . 1 1 14 14 ARG HB3 H 1 1.556 0.020 . 2 . 128 . A 28 ARG HB3 . 34073 1 139 . 1 1 14 14 ARG HG2 H 1 1.906 0.020 . 2 . 130 . A 28 ARG HG2 . 34073 1 140 . 1 1 14 14 ARG HG3 H 1 1.496 0.001 . 2 . 131 . A 28 ARG HG3 . 34073 1 141 . 1 1 14 14 ARG HD2 H 1 3.377 0.020 . 2 . 133 . A 28 ARG HD2 . 34073 1 142 . 1 1 14 14 ARG HD3 H 1 2.822 0.020 . 2 . 134 . A 28 ARG HD3 . 34073 1 143 . 1 1 14 14 ARG HE H 1 8.793 0.013 . 1 . 136 . A 28 ARG HE . 34073 1 144 . 1 1 14 14 ARG CA C 13 60.677 0.183 . 1 . 124 . A 28 ARG CA . 34073 1 145 . 1 1 14 14 ARG CB C 13 30.872 0.036 . 1 . 126 . A 28 ARG CB . 34073 1 146 . 1 1 14 14 ARG CG C 13 29.169 0.070 . 1 . 129 . A 28 ARG CG . 34073 1 147 . 1 1 14 14 ARG CD C 13 43.802 0.074 . 1 . 132 . A 28 ARG CD . 34073 1 148 . 1 1 14 14 ARG N N 15 119.623 0.046 . 1 . 122 . A 28 ARG N . 34073 1 149 . 1 1 14 14 ARG NE N 15 83.653 0.070 . 1 . 135 . A 28 ARG NE . 34073 1 150 . 1 1 15 15 VAL H H 1 8.449 0.002 . 1 . 138 . A 29 VAL H . 34073 1 151 . 1 1 15 15 VAL HA H 1 3.490 0.001 . 1 . 140 . A 29 VAL HA . 34073 1 152 . 1 1 15 15 VAL HB H 1 2.103 0.004 . 1 . 142 . A 29 VAL HB . 34073 1 153 . 1 1 15 15 VAL HG11 H 1 0.877 0.020 . 2 . 143 . A 29 VAL HG11 . 34073 1 154 . 1 1 15 15 VAL HG12 H 1 0.877 0.020 . 2 . 143 . A 29 VAL HG12 . 34073 1 155 . 1 1 15 15 VAL HG13 H 1 0.877 0.020 . 2 . 143 . A 29 VAL HG13 . 34073 1 156 . 1 1 15 15 VAL HG21 H 1 1.056 0.020 . 2 . 144 . A 29 VAL HG21 . 34073 1 157 . 1 1 15 15 VAL HG22 H 1 1.056 0.020 . 2 . 144 . A 29 VAL HG22 . 34073 1 158 . 1 1 15 15 VAL HG23 H 1 1.056 0.020 . 2 . 144 . A 29 VAL HG23 . 34073 1 159 . 1 1 15 15 VAL CA C 13 67.559 0.028 . 1 . 139 . A 29 VAL CA . 34073 1 160 . 1 1 15 15 VAL CB C 13 31.657 0.032 . 1 . 141 . A 29 VAL CB . 34073 1 161 . 1 1 15 15 VAL CG1 C 13 21.130 0.025 . 2 . 145 . A 29 VAL CG1 . 34073 1 162 . 1 1 15 15 VAL CG2 C 13 22.742 0.007 . 2 . 146 . A 29 VAL CG2 . 34073 1 163 . 1 1 15 15 VAL N N 15 119.400 0.044 . 1 . 137 . A 29 VAL N . 34073 1 164 . 1 1 16 16 SER H H 1 8.579 0.011 . 1 . 148 . A 30 SER H . 34073 1 165 . 1 1 16 16 SER HA H 1 4.122 0.020 . 1 . 150 . A 30 SER HA . 34073 1 166 . 1 1 16 16 SER HB2 H 1 3.979 0.001 . 2 . 152 . A 30 SER HB2 . 34073 1 167 . 1 1 16 16 SER HB3 H 1 4.014 0.001 . 2 . 153 . A 30 SER HB3 . 34073 1 168 . 1 1 16 16 SER CA C 13 62.454 0.074 . 1 . 149 . A 30 SER CA . 34073 1 169 . 1 1 16 16 SER CB C 13 62.536 0.083 . 1 . 151 . A 30 SER CB . 34073 1 170 . 1 1 16 16 SER N N 15 116.107 0.008 . 1 . 147 . A 30 SER N . 34073 1 171 . 1 1 17 17 ASN H H 1 8.390 0.016 . 1 . 155 . A 31 ASN H . 34073 1 172 . 1 1 17 17 ASN HA H 1 4.532 0.020 . 1 . 157 . A 31 ASN HA . 34073 1 173 . 1 1 17 17 ASN HB2 H 1 3.038 0.003 . 2 . 159 . A 31 ASN HB2 . 34073 1 174 . 1 1 17 17 ASN HB3 H 1 2.762 0.006 . 2 . 160 . A 31 ASN HB3 . 34073 1 175 . 1 1 17 17 ASN HD21 H 1 7.660 0.020 . 1 . 162 . A 31 ASN HD21 . 34073 1 176 . 1 1 17 17 ASN HD22 H 1 6.921 0.020 . 1 . 163 . A 31 ASN HD22 . 34073 1 177 . 1 1 17 17 ASN CA C 13 56.049 0.023 . 1 . 156 . A 31 ASN CA . 34073 1 178 . 1 1 17 17 ASN CB C 13 38.343 0.136 . 1 . 158 . A 31 ASN CB . 34073 1 179 . 1 1 17 17 ASN N N 15 120.744 0.049 . 1 . 154 . A 31 ASN N . 34073 1 180 . 1 1 17 17 ASN ND2 N 15 111.802 0.026 . 1 . 161 . A 31 ASN ND2 . 34073 1 181 . 1 1 18 18 ALA H H 1 8.095 0.020 . 1 . 165 . A 32 ALA H . 34073 1 182 . 1 1 18 18 ALA HA H 1 4.150 0.020 . 1 . 167 . A 32 ALA HA . 34073 1 183 . 1 1 18 18 ALA HB1 H 1 1.560 0.020 . 1 . 168 . A 32 ALA HB1 . 34073 1 184 . 1 1 18 18 ALA HB2 H 1 1.560 0.020 . 1 . 168 . A 32 ALA HB2 . 34073 1 185 . 1 1 18 18 ALA HB3 H 1 1.560 0.020 . 1 . 168 . A 32 ALA HB3 . 34073 1 186 . 1 1 18 18 ALA CA C 13 55.068 0.016 . 1 . 166 . A 32 ALA CA . 34073 1 187 . 1 1 18 18 ALA CB C 13 20.574 0.012 . 1 . 169 . A 32 ALA CB . 34073 1 188 . 1 1 18 18 ALA N N 15 124.680 0.085 . 1 . 164 . A 32 ALA N . 34073 1 189 . 1 1 19 19 VAL H H 1 8.481 0.002 . 1 . 171 . A 33 VAL H . 34073 1 190 . 1 1 19 19 VAL HA H 1 3.331 0.002 . 1 . 173 . A 33 VAL HA . 34073 1 191 . 1 1 19 19 VAL HB H 1 2.299 0.020 . 1 . 175 . A 33 VAL HB . 34073 1 192 . 1 1 19 19 VAL HG11 H 1 0.867 0.020 . 2 . 176 . A 33 VAL HG11 . 34073 1 193 . 1 1 19 19 VAL HG12 H 1 0.867 0.020 . 2 . 176 . A 33 VAL HG12 . 34073 1 194 . 1 1 19 19 VAL HG13 H 1 0.867 0.020 . 2 . 176 . A 33 VAL HG13 . 34073 1 195 . 1 1 19 19 VAL HG21 H 1 1.127 0.020 . 2 . 177 . A 33 VAL HG21 . 34073 1 196 . 1 1 19 19 VAL HG22 H 1 1.127 0.020 . 2 . 177 . A 33 VAL HG22 . 34073 1 197 . 1 1 19 19 VAL HG23 H 1 1.127 0.020 . 2 . 177 . A 33 VAL HG23 . 34073 1 198 . 1 1 19 19 VAL CA C 13 67.249 0.068 . 1 . 172 . A 33 VAL CA . 34073 1 199 . 1 1 19 19 VAL CB C 13 31.773 0.051 . 1 . 174 . A 33 VAL CB . 34073 1 200 . 1 1 19 19 VAL CG1 C 13 20.928 0.121 . 2 . 178 . A 33 VAL CG1 . 34073 1 201 . 1 1 19 19 VAL CG2 C 13 24.090 0.025 . 2 . 179 . A 33 VAL CG2 . 34073 1 202 . 1 1 19 19 VAL N N 15 120.113 0.037 . 1 . 170 . A 33 VAL N . 34073 1 203 . 1 1 20 20 GLU H H 1 7.442 0.006 . 1 . 181 . A 34 GLU H . 34073 1 204 . 1 1 20 20 GLU HA H 1 3.875 0.020 . 1 . 183 . A 34 GLU HA . 34073 1 205 . 1 1 20 20 GLU HB2 H 1 2.146 0.020 . 1 . 185 . A 34 GLU HB2 . 34073 1 206 . 1 1 20 20 GLU HB3 H 1 2.146 0.020 . 1 . 707 . A 34 GLU HB3 . 34073 1 207 . 1 1 20 20 GLU HG2 H 1 2.454 0.020 . 2 . 187 . A 34 GLU HG2 . 34073 1 208 . 1 1 20 20 GLU HG3 H 1 2.290 0.020 . 2 . 188 . A 34 GLU HG3 . 34073 1 209 . 1 1 20 20 GLU CA C 13 59.700 0.184 . 1 . 182 . A 34 GLU CA . 34073 1 210 . 1 1 20 20 GLU CB C 13 29.537 0.047 . 1 . 184 . A 34 GLU CB . 34073 1 211 . 1 1 20 20 GLU CG C 13 36.521 0.206 . 1 . 186 . A 34 GLU CG . 34073 1 212 . 1 1 20 20 GLU N N 15 116.204 0.039 . 1 . 180 . A 34 GLU N . 34073 1 213 . 1 1 21 21 PHE H H 1 7.637 0.021 . 1 . 190 . A 35 PHE H . 34073 1 214 . 1 1 21 21 PHE HA H 1 4.371 0.020 . 1 . 192 . A 35 PHE HA . 34073 1 215 . 1 1 21 21 PHE HB2 H 1 3.346 0.020 . 1 . 708 . A 35 PHE HB2 . 34073 1 216 . 1 1 21 21 PHE HB3 H 1 3.346 0.020 . 1 . 194 . A 35 PHE HB3 . 34073 1 217 . 1 1 21 21 PHE HD1 H 1 7.117 0.005 . 3 . 195 . A 35 PHE HD1 . 34073 1 218 . 1 1 21 21 PHE HD2 H 1 7.117 0.005 . 3 . 195 . A 35 PHE HD2 . 34073 1 219 . 1 1 21 21 PHE HE1 H 1 6.905 0.020 . 3 . 196 . A 35 PHE HE1 . 34073 1 220 . 1 1 21 21 PHE HE2 H 1 6.905 0.020 . 3 . 196 . A 35 PHE HE2 . 34073 1 221 . 1 1 21 21 PHE HZ H 1 7.129 0.020 . 1 . 200 . A 35 PHE HZ . 34073 1 222 . 1 1 21 21 PHE CA C 13 60.876 0.031 . 1 . 191 . A 35 PHE CA . 34073 1 223 . 1 1 21 21 PHE CB C 13 38.848 0.004 . 1 . 193 . A 35 PHE CB . 34073 1 224 . 1 1 21 21 PHE CD1 C 13 132.196 0.120 . 3 . 197 . A 35 PHE CD1 . 34073 1 225 . 1 1 21 21 PHE CD2 C 13 132.196 0.120 . 3 . 197 . A 35 PHE CD2 . 34073 1 226 . 1 1 21 21 PHE CE1 C 13 130.796 0.200 . 3 . 198 . A 35 PHE CE1 . 34073 1 227 . 1 1 21 21 PHE CE2 C 13 130.796 0.200 . 3 . 198 . A 35 PHE CE2 . 34073 1 228 . 1 1 21 21 PHE CZ C 13 130.950 0.200 . 1 . 199 . A 35 PHE CZ . 34073 1 229 . 1 1 21 21 PHE N N 15 119.710 0.045 . 1 . 189 . A 35 PHE N . 34073 1 230 . 1 1 22 22 LEU H H 1 8.296 0.001 . 1 . 202 . A 36 LEU H . 34073 1 231 . 1 1 22 22 LEU HA H 1 3.546 0.020 . 1 . 204 . A 36 LEU HA . 34073 1 232 . 1 1 22 22 LEU HB2 H 1 1.868 0.020 . 2 . 206 . A 36 LEU HB2 . 34073 1 233 . 1 1 22 22 LEU HB3 H 1 1.146 0.020 . 2 . 207 . A 36 LEU HB3 . 34073 1 234 . 1 1 22 22 LEU HG H 1 1.993 0.020 . 1 . 209 . A 36 LEU HG . 34073 1 235 . 1 1 22 22 LEU HD11 H 1 0.016 0.020 . 2 . 210 . A 36 LEU HD11 . 34073 1 236 . 1 1 22 22 LEU HD12 H 1 0.016 0.020 . 2 . 210 . A 36 LEU HD12 . 34073 1 237 . 1 1 22 22 LEU HD13 H 1 0.016 0.020 . 2 . 210 . A 36 LEU HD13 . 34073 1 238 . 1 1 22 22 LEU HD21 H 1 0.576 0.020 . 2 . 211 . A 36 LEU HD21 . 34073 1 239 . 1 1 22 22 LEU HD22 H 1 0.576 0.020 . 2 . 211 . A 36 LEU HD22 . 34073 1 240 . 1 1 22 22 LEU HD23 H 1 0.576 0.020 . 2 . 211 . A 36 LEU HD23 . 34073 1 241 . 1 1 22 22 LEU CA C 13 56.784 0.019 . 1 . 203 . A 36 LEU CA . 34073 1 242 . 1 1 22 22 LEU CB C 13 42.538 0.020 . 1 . 205 . A 36 LEU CB . 34073 1 243 . 1 1 22 22 LEU CG C 13 26.408 0.059 . 1 . 208 . A 36 LEU CG . 34073 1 244 . 1 1 22 22 LEU CD1 C 13 24.864 0.027 . 2 . 212 . A 36 LEU CD1 . 34073 1 245 . 1 1 22 22 LEU CD2 C 13 23.109 0.064 . 2 . 213 . A 36 LEU CD2 . 34073 1 246 . 1 1 22 22 LEU N N 15 116.293 0.061 . 1 . 201 . A 36 LEU N . 34073 1 247 . 1 1 23 23 LEU H H 1 7.683 0.020 . 1 . 215 . A 37 LEU H . 34073 1 248 . 1 1 23 23 LEU HA H 1 4.134 0.020 . 1 . 217 . A 37 LEU HA . 34073 1 249 . 1 1 23 23 LEU HB2 H 1 1.756 0.020 . 2 . 219 . A 37 LEU HB2 . 34073 1 250 . 1 1 23 23 LEU HB3 H 1 1.523 0.020 . 2 . 220 . A 37 LEU HB3 . 34073 1 251 . 1 1 23 23 LEU HG H 1 1.822 0.020 . 1 . 222 . A 37 LEU HG . 34073 1 252 . 1 1 23 23 LEU HD11 H 1 0.799 0.010 . 2 . 223 . A 37 LEU HD11 . 34073 1 253 . 1 1 23 23 LEU HD12 H 1 0.799 0.010 . 2 . 223 . A 37 LEU HD12 . 34073 1 254 . 1 1 23 23 LEU HD13 H 1 0.799 0.010 . 2 . 223 . A 37 LEU HD13 . 34073 1 255 . 1 1 23 23 LEU HD21 H 1 0.826 0.002 . 2 . 224 . A 37 LEU HD21 . 34073 1 256 . 1 1 23 23 LEU HD22 H 1 0.826 0.002 . 2 . 224 . A 37 LEU HD22 . 34073 1 257 . 1 1 23 23 LEU HD23 H 1 0.826 0.002 . 2 . 224 . A 37 LEU HD23 . 34073 1 258 . 1 1 23 23 LEU CA C 13 55.042 0.028 . 1 . 216 . A 37 LEU CA . 34073 1 259 . 1 1 23 23 LEU CB C 13 42.889 0.036 . 1 . 218 . A 37 LEU CB . 34073 1 260 . 1 1 23 23 LEU CG C 13 26.113 0.117 . 1 . 221 . A 37 LEU CG . 34073 1 261 . 1 1 23 23 LEU CD1 C 13 25.839 0.120 . 2 . 225 . A 37 LEU CD1 . 34073 1 262 . 1 1 23 23 LEU CD2 C 13 22.689 0.052 . 2 . 226 . A 37 LEU CD2 . 34073 1 263 . 1 1 23 23 LEU N N 15 116.181 0.071 . 1 . 214 . A 37 LEU N . 34073 1 264 . 1 1 24 24 ASP H H 1 7.372 0.020 . 1 . 228 . A 38 ASP H . 34073 1 265 . 1 1 24 24 ASP HA H 1 4.348 0.006 . 1 . 230 . A 38 ASP HA . 34073 1 266 . 1 1 24 24 ASP HB2 H 1 2.825 0.020 . 2 . 232 . A 38 ASP HB2 . 34073 1 267 . 1 1 24 24 ASP HB3 H 1 2.754 0.020 . 2 . 233 . A 38 ASP HB3 . 34073 1 268 . 1 1 24 24 ASP CA C 13 55.309 0.055 . 1 . 229 . A 38 ASP CA . 34073 1 269 . 1 1 24 24 ASP CB C 13 42.477 0.017 . 1 . 231 . A 38 ASP CB . 34073 1 270 . 1 1 24 24 ASP N N 15 122.994 0.061 . 1 . 227 . A 38 ASP N . 34073 1 271 . 1 1 25 25 SER H H 1 8.905 0.029 . 1 . 235 . A 39 SER H . 34073 1 272 . 1 1 25 25 SER HA H 1 3.951 0.020 . 1 . 237 . A 39 SER HA . 34073 1 273 . 1 1 25 25 SER HB2 H 1 3.928 0.003 . 1 . 709 . A 39 SER HB2 . 34073 1 274 . 1 1 25 25 SER HB3 H 1 3.928 0.003 . 1 . 239 . A 39 SER HB3 . 34073 1 275 . 1 1 25 25 SER CA C 13 61.971 0.004 . 1 . 236 . A 39 SER CA . 34073 1 276 . 1 1 25 25 SER CB C 13 62.916 0.074 . 1 . 238 . A 39 SER CB . 34073 1 277 . 1 1 25 25 SER N N 15 123.139 0.224 . 1 . 234 . A 39 SER N . 34073 1 278 . 1 1 26 26 ARG H H 1 8.663 0.009 . 1 . 241 . A 40 ARG H . 34073 1 279 . 1 1 26 26 ARG HA H 1 4.163 0.020 . 1 . 243 . A 40 ARG HA . 34073 1 280 . 1 1 26 26 ARG HB2 H 1 1.871 0.010 . 2 . 245 . A 40 ARG HB2 . 34073 1 281 . 1 1 26 26 ARG HB3 H 1 1.835 0.002 . 2 . 246 . A 40 ARG HB3 . 34073 1 282 . 1 1 26 26 ARG HG2 H 1 1.707 0.020 . 2 . 248 . A 40 ARG HG2 . 34073 1 283 . 1 1 26 26 ARG HG3 H 1 1.685 0.020 . 2 . 249 . A 40 ARG HG3 . 34073 1 284 . 1 1 26 26 ARG HD2 H 1 3.183 0.020 . 1 . 250 . A 40 ARG HD2 . 34073 1 285 . 1 1 26 26 ARG HD3 H 1 3.183 0.020 . 1 . 710 . A 40 ARG HD3 . 34073 1 286 . 1 1 26 26 ARG CA C 13 58.317 0.007 . 1 . 242 . A 40 ARG CA . 34073 1 287 . 1 1 26 26 ARG CB C 13 30.048 0.120 . 1 . 244 . A 40 ARG CB . 34073 1 288 . 1 1 26 26 ARG CG C 13 27.285 0.031 . 1 . 247 . A 40 ARG CG . 34073 1 289 . 1 1 26 26 ARG N N 15 121.106 0.029 . 1 . 240 . A 40 ARG N . 34073 1 290 . 1 1 27 27 VAL H H 1 7.698 0.020 . 1 . 252 . A 41 VAL H . 34073 1 291 . 1 1 27 27 VAL HA H 1 3.863 0.020 . 1 . 254 . A 41 VAL HA . 34073 1 292 . 1 1 27 27 VAL HB H 1 2.021 0.020 . 1 . 256 . A 41 VAL HB . 34073 1 293 . 1 1 27 27 VAL HG11 H 1 0.208 0.020 . 2 . 257 . A 41 VAL HG11 . 34073 1 294 . 1 1 27 27 VAL HG12 H 1 0.208 0.020 . 2 . 257 . A 41 VAL HG12 . 34073 1 295 . 1 1 27 27 VAL HG13 H 1 0.208 0.020 . 2 . 257 . A 41 VAL HG13 . 34073 1 296 . 1 1 27 27 VAL HG21 H 1 0.508 0.020 . 2 . 258 . A 41 VAL HG21 . 34073 1 297 . 1 1 27 27 VAL HG22 H 1 0.508 0.020 . 2 . 258 . A 41 VAL HG22 . 34073 1 298 . 1 1 27 27 VAL HG23 H 1 0.508 0.020 . 2 . 258 . A 41 VAL HG23 . 34073 1 299 . 1 1 27 27 VAL CA C 13 63.174 0.033 . 1 . 253 . A 41 VAL CA . 34073 1 300 . 1 1 27 27 VAL CB C 13 32.568 0.038 . 1 . 255 . A 41 VAL CB . 34073 1 301 . 1 1 27 27 VAL CG1 C 13 21.640 0.070 . 2 . 259 . A 41 VAL CG1 . 34073 1 302 . 1 1 27 27 VAL CG2 C 13 21.243 0.016 . 2 . 260 . A 41 VAL CG2 . 34073 1 303 . 1 1 27 27 VAL N N 15 117.951 0.125 . 1 . 251 . A 41 VAL N . 34073 1 304 . 1 1 28 28 ARG H H 1 8.026 0.020 . 1 . 262 . A 42 ARG H . 34073 1 305 . 1 1 28 28 ARG HA H 1 4.057 0.020 . 1 . 264 . A 42 ARG HA . 34073 1 306 . 1 1 28 28 ARG HB2 H 1 1.877 0.003 . 2 . 266 . A 42 ARG HB2 . 34073 1 307 . 1 1 28 28 ARG HB3 H 1 1.841 0.003 . 2 . 267 . A 42 ARG HB3 . 34073 1 308 . 1 1 28 28 ARG HG2 H 1 1.678 0.020 . 1 . 712 . A 42 ARG HG2 . 34073 1 309 . 1 1 28 28 ARG HG3 H 1 1.678 0.020 . 1 . 269 . A 42 ARG HG3 . 34073 1 310 . 1 1 28 28 ARG HD2 H 1 3.165 0.020 . 1 . 271 . A 42 ARG HD2 . 34073 1 311 . 1 1 28 28 ARG HD3 H 1 3.165 0.020 . 1 . 711 . A 42 ARG HD3 . 34073 1 312 . 1 1 28 28 ARG CA C 13 59.404 0.058 . 1 . 263 . A 42 ARG CA . 34073 1 313 . 1 1 28 28 ARG CB C 13 30.584 0.152 . 1 . 265 . A 42 ARG CB . 34073 1 314 . 1 1 28 28 ARG CG C 13 27.076 0.031 . 1 . 268 . A 42 ARG CG . 34073 1 315 . 1 1 28 28 ARG CD C 13 43.595 0.112 . 1 . 270 . A 42 ARG CD . 34073 1 316 . 1 1 28 28 ARG N N 15 120.667 0.102 . 1 . 261 . A 42 ARG N . 34073 1 317 . 1 1 29 29 ARG H H 1 7.991 0.014 . 1 . 273 . A 43 ARG H . 34073 1 318 . 1 1 29 29 ARG HA H 1 4.438 0.020 . 1 . 275 . A 43 ARG HA . 34073 1 319 . 1 1 29 29 ARG HB2 H 1 2.073 0.020 . 2 . 277 . A 43 ARG HB2 . 34073 1 320 . 1 1 29 29 ARG HB3 H 1 1.781 0.020 . 2 . 278 . A 43 ARG HB3 . 34073 1 321 . 1 1 29 29 ARG HG2 H 1 1.679 0.003 . 2 . 280 . A 43 ARG HG2 . 34073 1 322 . 1 1 29 29 ARG HG3 H 1 1.625 0.005 . 2 . 281 . A 43 ARG HG3 . 34073 1 323 . 1 1 29 29 ARG HD2 H 1 3.224 0.020 . 1 . 282 . A 43 ARG HD2 . 34073 1 324 . 1 1 29 29 ARG HD3 H 1 3.224 0.020 . 1 . 713 . A 43 ARG HD3 . 34073 1 325 . 1 1 29 29 ARG CA C 13 56.064 0.073 . 1 . 274 . A 43 ARG CA . 34073 1 326 . 1 1 29 29 ARG CB C 13 29.642 0.061 . 1 . 276 . A 43 ARG CB . 34073 1 327 . 1 1 29 29 ARG CG C 13 27.431 0.094 . 1 . 279 . A 43 ARG CG . 34073 1 328 . 1 1 29 29 ARG N N 15 115.866 0.104 . 1 . 272 . A 43 ARG N . 34073 1 329 . 1 1 30 30 THR H H 1 7.758 0.020 . 1 . 284 . A 44 THR H . 34073 1 330 . 1 1 30 30 THR HA H 1 4.628 0.020 . 1 . 286 . A 44 THR HA . 34073 1 331 . 1 1 30 30 THR HB H 1 4.309 0.020 . 1 . 288 . A 44 THR HB . 34073 1 332 . 1 1 30 30 THR HG21 H 1 1.388 0.020 . 1 . 289 . A 44 THR HG21 . 34073 1 333 . 1 1 30 30 THR HG22 H 1 1.388 0.020 . 1 . 289 . A 44 THR HG22 . 34073 1 334 . 1 1 30 30 THR HG23 H 1 1.388 0.020 . 1 . 289 . A 44 THR HG23 . 34073 1 335 . 1 1 30 30 THR CA C 13 61.112 0.014 . 1 . 285 . A 44 THR CA . 34073 1 336 . 1 1 30 30 THR CB C 13 69.676 0.025 . 1 . 287 . A 44 THR CB . 34073 1 337 . 1 1 30 30 THR CG2 C 13 22.304 0.013 . 1 . 290 . A 44 THR CG2 . 34073 1 338 . 1 1 30 30 THR N N 15 115.511 0.091 . 1 . 283 . A 44 THR N . 34073 1 339 . 1 1 31 31 PRO HA H 1 4.639 0.010 . 1 . 293 . A 45 PRO HA . 34073 1 340 . 1 1 31 31 PRO HB2 H 1 2.611 0.003 . 2 . 295 . A 45 PRO HB2 . 34073 1 341 . 1 1 31 31 PRO HB3 H 1 2.016 0.006 . 2 . 296 . A 45 PRO HB3 . 34073 1 342 . 1 1 31 31 PRO HG2 H 1 2.180 0.003 . 2 . 298 . A 45 PRO HG2 . 34073 1 343 . 1 1 31 31 PRO HG3 H 1 2.131 0.005 . 2 . 299 . A 45 PRO HG3 . 34073 1 344 . 1 1 31 31 PRO HD2 H 1 4.013 0.007 . 2 . 300 . A 45 PRO HD2 . 34073 1 345 . 1 1 31 31 PRO HD3 H 1 3.740 0.007 . 2 . 301 . A 45 PRO HD3 . 34073 1 346 . 1 1 31 31 PRO CA C 13 63.204 0.200 . 1 . 292 . A 45 PRO CA . 34073 1 347 . 1 1 31 31 PRO CB C 13 32.844 0.027 . 1 . 294 . A 45 PRO CB . 34073 1 348 . 1 1 31 31 PRO CG C 13 28.075 0.174 . 1 . 297 . A 45 PRO CG . 34073 1 349 . 1 1 31 31 PRO CD C 13 51.218 0.050 . 1 . 291 . A 45 PRO CD . 34073 1 350 . 1 1 32 32 THR HA H 1 4.190 0.020 . 1 . 303 . A 46 THR HA . 34073 1 351 . 1 1 32 32 THR HB H 1 3.792 0.020 . 1 . 305 . A 46 THR HB . 34073 1 352 . 1 1 32 32 THR HG21 H 1 0.974 0.001 . 1 . 306 . A 46 THR HG21 . 34073 1 353 . 1 1 32 32 THR HG22 H 1 0.974 0.001 . 1 . 306 . A 46 THR HG22 . 34073 1 354 . 1 1 32 32 THR HG23 H 1 0.974 0.001 . 1 . 306 . A 46 THR HG23 . 34073 1 355 . 1 1 32 32 THR CA C 13 68.269 0.235 . 1 . 302 . A 46 THR CA . 34073 1 356 . 1 1 32 32 THR CB C 13 68.011 0.227 . 1 . 304 . A 46 THR CB . 34073 1 357 . 1 1 32 32 THR CG2 C 13 22.261 0.001 . 1 . 307 . A 46 THR CG2 . 34073 1 358 . 1 1 33 33 SER HA H 1 3.962 0.002 . 1 . 309 . A 47 SER HA . 34073 1 359 . 1 1 33 33 SER HB2 H 1 3.989 0.020 . 1 . 714 . A 47 SER HB2 . 34073 1 360 . 1 1 33 33 SER HB3 H 1 3.989 0.020 . 1 . 311 . A 47 SER HB3 . 34073 1 361 . 1 1 33 33 SER CA C 13 62.129 0.160 . 1 . 308 . A 47 SER CA . 34073 1 362 . 1 1 33 33 SER CB C 13 61.839 0.200 . 1 . 310 . A 47 SER CB . 34073 1 363 . 1 1 34 34 SER H H 1 7.035 0.011 . 1 . 313 . A 48 SER H . 34073 1 364 . 1 1 34 34 SER HA H 1 4.496 0.020 . 1 . 315 . A 48 SER HA . 34073 1 365 . 1 1 34 34 SER HB2 H 1 4.088 0.005 . 2 . 317 . A 48 SER HB2 . 34073 1 366 . 1 1 34 34 SER HB3 H 1 4.132 0.003 . 2 . 318 . A 48 SER HB3 . 34073 1 367 . 1 1 34 34 SER CA C 13 61.416 0.141 . 1 . 314 . A 48 SER CA . 34073 1 368 . 1 1 34 34 SER CB C 13 62.765 0.149 . 1 . 316 . A 48 SER CB . 34073 1 369 . 1 1 34 34 SER N N 15 116.320 0.036 . 1 . 312 . A 48 SER N . 34073 1 370 . 1 1 35 35 LYS H H 1 7.844 0.020 . 1 . 320 . A 49 LYS H . 34073 1 371 . 1 1 35 35 LYS HA H 1 4.299 0.020 . 1 . 322 . A 49 LYS HA . 34073 1 372 . 1 1 35 35 LYS HB2 H 1 2.407 0.020 . 2 . 324 . A 49 LYS HB2 . 34073 1 373 . 1 1 35 35 LYS HB3 H 1 1.981 0.020 . 2 . 325 . A 49 LYS HB3 . 34073 1 374 . 1 1 35 35 LYS HG2 H 1 1.756 0.020 . 2 . 327 . A 49 LYS HG2 . 34073 1 375 . 1 1 35 35 LYS HG3 H 1 1.296 0.020 . 2 . 328 . A 49 LYS HG3 . 34073 1 376 . 1 1 35 35 LYS HD2 H 1 1.772 0.002 . 2 . 330 . A 49 LYS HD2 . 34073 1 377 . 1 1 35 35 LYS HD3 H 1 1.626 0.020 . 2 . 331 . A 49 LYS HD3 . 34073 1 378 . 1 1 35 35 LYS HE2 H 1 3.148 0.010 . 2 . 333 . A 49 LYS HE2 . 34073 1 379 . 1 1 35 35 LYS HE3 H 1 2.885 0.020 . 2 . 334 . A 49 LYS HE3 . 34073 1 380 . 1 1 35 35 LYS CA C 13 60.503 0.040 . 1 . 321 . A 49 LYS CA . 34073 1 381 . 1 1 35 35 LYS CB C 13 33.771 0.087 . 1 . 323 . A 49 LYS CB . 34073 1 382 . 1 1 35 35 LYS CG C 13 26.130 0.084 . 1 . 326 . A 49 LYS CG . 34073 1 383 . 1 1 35 35 LYS CD C 13 30.355 0.113 . 1 . 329 . A 49 LYS CD . 34073 1 384 . 1 1 35 35 LYS CE C 13 42.551 0.186 . 1 . 332 . A 49 LYS CE . 34073 1 385 . 1 1 35 35 LYS N N 15 122.001 0.052 . 1 . 319 . A 49 LYS N . 34073 1 386 . 1 1 36 36 VAL H H 1 8.559 0.006 . 1 . 336 . A 50 VAL H . 34073 1 387 . 1 1 36 36 VAL HA H 1 3.642 0.020 . 1 . 338 . A 50 VAL HA . 34073 1 388 . 1 1 36 36 VAL HB H 1 2.196 0.020 . 1 . 340 . A 50 VAL HB . 34073 1 389 . 1 1 36 36 VAL HG11 H 1 0.922 0.020 . 2 . 341 . A 50 VAL HG11 . 34073 1 390 . 1 1 36 36 VAL HG12 H 1 0.922 0.020 . 2 . 341 . A 50 VAL HG12 . 34073 1 391 . 1 1 36 36 VAL HG13 H 1 0.922 0.020 . 2 . 341 . A 50 VAL HG13 . 34073 1 392 . 1 1 36 36 VAL HG21 H 1 1.127 0.020 . 2 . 342 . A 50 VAL HG21 . 34073 1 393 . 1 1 36 36 VAL HG22 H 1 1.127 0.020 . 2 . 342 . A 50 VAL HG22 . 34073 1 394 . 1 1 36 36 VAL HG23 H 1 1.127 0.020 . 2 . 342 . A 50 VAL HG23 . 34073 1 395 . 1 1 36 36 VAL CA C 13 67.578 0.047 . 1 . 337 . A 50 VAL CA . 34073 1 396 . 1 1 36 36 VAL CB C 13 31.825 0.118 . 1 . 339 . A 50 VAL CB . 34073 1 397 . 1 1 36 36 VAL CG1 C 13 22.209 0.088 . 2 . 343 . A 50 VAL CG1 . 34073 1 398 . 1 1 36 36 VAL CG2 C 13 24.565 0.014 . 2 . 344 . A 50 VAL CG2 . 34073 1 399 . 1 1 36 36 VAL N N 15 118.442 0.024 . 1 . 335 . A 50 VAL N . 34073 1 400 . 1 1 37 37 HIS H H 1 8.316 0.020 . 1 . 346 . A 51 HIS H . 34073 1 401 . 1 1 37 37 HIS HA H 1 4.228 0.020 . 1 . 348 . A 51 HIS HA . 34073 1 402 . 1 1 37 37 HIS HB2 H 1 3.231 0.020 . 1 . 350 . A 51 HIS HB2 . 34073 1 403 . 1 1 37 37 HIS HB3 H 1 3.231 0.020 . 1 . 715 . A 51 HIS HB3 . 34073 1 404 . 1 1 37 37 HIS HD2 H 1 7.096 0.004 . 1 . 353 . A 51 HIS HD2 . 34073 1 405 . 1 1 37 37 HIS HE1 H 1 8.009 0.001 . 1 . 354 . A 51 HIS HE1 . 34073 1 406 . 1 1 37 37 HIS CA C 13 60.874 0.067 . 1 . 347 . A 51 HIS CA . 34073 1 407 . 1 1 37 37 HIS CB C 13 30.231 0.046 . 1 . 349 . A 51 HIS CB . 34073 1 408 . 1 1 37 37 HIS CD2 C 13 119.117 0.033 . 1 . 351 . A 51 HIS CD2 . 34073 1 409 . 1 1 37 37 HIS CE1 C 13 138.125 0.006 . 1 . 352 . A 51 HIS CE1 . 34073 1 410 . 1 1 37 37 HIS N N 15 117.449 0.110 . 1 . 345 . A 51 HIS N . 34073 1 411 . 1 1 38 38 PHE H H 1 8.392 0.020 . 1 . 356 . A 52 PHE H . 34073 1 412 . 1 1 38 38 PHE HA H 1 4.251 0.020 . 1 . 358 . A 52 PHE HA . 34073 1 413 . 1 1 38 38 PHE HB2 H 1 3.346 0.020 . 2 . 360 . A 52 PHE HB2 . 34073 1 414 . 1 1 38 38 PHE HB3 H 1 3.057 0.020 . 2 . 361 . A 52 PHE HB3 . 34073 1 415 . 1 1 38 38 PHE HD1 H 1 6.645 0.007 . 3 . 362 . A 52 PHE HD1 . 34073 1 416 . 1 1 38 38 PHE HD2 H 1 6.645 0.007 . 3 . 362 . A 52 PHE HD2 . 34073 1 417 . 1 1 38 38 PHE HE1 H 1 6.897 0.010 . 3 . 363 . A 52 PHE HE1 . 34073 1 418 . 1 1 38 38 PHE HE2 H 1 6.897 0.010 . 3 . 363 . A 52 PHE HE2 . 34073 1 419 . 1 1 38 38 PHE HZ H 1 7.095 0.004 . 1 . 367 . A 52 PHE HZ . 34073 1 420 . 1 1 38 38 PHE CA C 13 61.671 0.039 . 1 . 357 . A 52 PHE CA . 34073 1 421 . 1 1 38 38 PHE CB C 13 38.929 0.026 . 1 . 359 . A 52 PHE CB . 34073 1 422 . 1 1 38 38 PHE CD1 C 13 131.357 0.043 . 3 . 364 . A 52 PHE CD1 . 34073 1 423 . 1 1 38 38 PHE CD2 C 13 131.357 0.043 . 3 . 364 . A 52 PHE CD2 . 34073 1 424 . 1 1 38 38 PHE CE1 C 13 131.896 0.342 . 3 . 365 . A 52 PHE CE1 . 34073 1 425 . 1 1 38 38 PHE CE2 C 13 131.896 0.342 . 3 . 365 . A 52 PHE CE2 . 34073 1 426 . 1 1 38 38 PHE CZ C 13 129.403 0.200 . 1 . 366 . A 52 PHE CZ . 34073 1 427 . 1 1 38 38 PHE N N 15 121.166 0.041 . 1 . 355 . A 52 PHE N . 34073 1 428 . 1 1 39 39 LEU H H 1 8.281 0.022 . 1 . 369 . A 53 LEU H . 34073 1 429 . 1 1 39 39 LEU HA H 1 3.776 0.020 . 1 . 371 . A 53 LEU HA . 34073 1 430 . 1 1 39 39 LEU HB2 H 1 2.066 0.020 . 2 . 373 . A 53 LEU HB2 . 34073 1 431 . 1 1 39 39 LEU HB3 H 1 1.366 0.020 . 2 . 374 . A 53 LEU HB3 . 34073 1 432 . 1 1 39 39 LEU HG H 1 2.255 0.006 . 1 . 376 . A 53 LEU HG . 34073 1 433 . 1 1 39 39 LEU HD11 H 1 0.999 0.020 . 2 . 377 . A 53 LEU HD11 . 34073 1 434 . 1 1 39 39 LEU HD12 H 1 0.999 0.020 . 2 . 377 . A 53 LEU HD12 . 34073 1 435 . 1 1 39 39 LEU HD13 H 1 0.999 0.020 . 2 . 377 . A 53 LEU HD13 . 34073 1 436 . 1 1 39 39 LEU HD21 H 1 0.851 0.020 . 2 . 378 . A 53 LEU HD21 . 34073 1 437 . 1 1 39 39 LEU HD22 H 1 0.851 0.020 . 2 . 378 . A 53 LEU HD22 . 34073 1 438 . 1 1 39 39 LEU HD23 H 1 0.851 0.020 . 2 . 378 . A 53 LEU HD23 . 34073 1 439 . 1 1 39 39 LEU CA C 13 57.832 0.021 . 1 . 370 . A 53 LEU CA . 34073 1 440 . 1 1 39 39 LEU CB C 13 41.346 0.031 . 1 . 372 . A 53 LEU CB . 34073 1 441 . 1 1 39 39 LEU CG C 13 26.943 0.092 . 1 . 375 . A 53 LEU CG . 34073 1 442 . 1 1 39 39 LEU CD1 C 13 26.228 0.125 . 2 . 379 . A 53 LEU CD1 . 34073 1 443 . 1 1 39 39 LEU CD2 C 13 22.045 0.087 . 2 . 380 . A 53 LEU CD2 . 34073 1 444 . 1 1 39 39 LEU N N 15 119.833 0.040 . 1 . 368 . A 53 LEU N . 34073 1 445 . 1 1 40 40 LYS H H 1 8.576 0.003 . 1 . 382 . A 54 LYS H . 34073 1 446 . 1 1 40 40 LYS HA H 1 4.389 0.020 . 1 . 384 . A 54 LYS HA . 34073 1 447 . 1 1 40 40 LYS HB2 H 1 2.079 0.020 . 2 . 386 . A 54 LYS HB2 . 34073 1 448 . 1 1 40 40 LYS HB3 H 1 1.748 0.020 . 2 . 387 . A 54 LYS HB3 . 34073 1 449 . 1 1 40 40 LYS HG2 H 1 1.493 0.020 . 1 . 717 . A 54 LYS HG2 . 34073 1 450 . 1 1 40 40 LYS HG3 H 1 1.493 0.020 . 1 . 389 . A 54 LYS HG3 . 34073 1 451 . 1 1 40 40 LYS HE2 H 1 3.000 0.020 . 1 . 716 . A 54 LYS HE2 . 34073 1 452 . 1 1 40 40 LYS HE3 H 1 3.000 0.020 . 1 . 392 . A 54 LYS HE3 . 34073 1 453 . 1 1 40 40 LYS CA C 13 58.720 0.032 . 1 . 383 . A 54 LYS CA . 34073 1 454 . 1 1 40 40 LYS CB C 13 31.900 0.097 . 1 . 385 . A 54 LYS CB . 34073 1 455 . 1 1 40 40 LYS CG C 13 24.134 0.090 . 1 . 388 . A 54 LYS CG . 34073 1 456 . 1 1 40 40 LYS CD C 13 28.875 0.200 . 1 . 390 . A 54 LYS CD . 34073 1 457 . 1 1 40 40 LYS CE C 13 42.260 0.197 . 1 . 391 . A 54 LYS CE . 34073 1 458 . 1 1 40 40 LYS N N 15 121.933 0.094 . 1 . 381 . A 54 LYS N . 34073 1 459 . 1 1 41 41 SER H H 1 8.011 0.020 . 1 . 394 . A 55 SER H . 34073 1 460 . 1 1 41 41 SER HA H 1 4.297 0.005 . 1 . 396 . A 55 SER HA . 34073 1 461 . 1 1 41 41 SER HB2 H 1 3.954 0.001 . 2 . 398 . A 55 SER HB2 . 34073 1 462 . 1 1 41 41 SER HB3 H 1 3.978 0.004 . 2 . 399 . A 55 SER HB3 . 34073 1 463 . 1 1 41 41 SER CA C 13 61.458 0.031 . 1 . 395 . A 55 SER CA . 34073 1 464 . 1 1 41 41 SER CB C 13 62.611 0.058 . 1 . 397 . A 55 SER CB . 34073 1 465 . 1 1 41 41 SER N N 15 118.301 0.025 . 1 . 393 . A 55 SER N . 34073 1 466 . 1 1 42 42 LYS H H 1 7.139 0.020 . 1 . 401 . A 56 LYS H . 34073 1 467 . 1 1 42 42 LYS HA H 1 4.232 0.020 . 1 . 403 . A 56 LYS HA . 34073 1 468 . 1 1 42 42 LYS HB2 H 1 1.878 0.020 . 2 . 405 . A 56 LYS HB2 . 34073 1 469 . 1 1 42 42 LYS HB3 H 1 1.695 0.020 . 2 . 406 . A 56 LYS HB3 . 34073 1 470 . 1 1 42 42 LYS HG2 H 1 0.967 0.018 . 2 . 408 . A 56 LYS HG2 . 34073 1 471 . 1 1 42 42 LYS HG3 H 1 0.895 0.020 . 2 . 409 . A 56 LYS HG3 . 34073 1 472 . 1 1 42 42 LYS HD2 H 1 1.910 0.020 . 2 . 411 . A 56 LYS HD2 . 34073 1 473 . 1 1 42 42 LYS HD3 H 1 1.586 0.020 . 2 . 412 . A 56 LYS HD3 . 34073 1 474 . 1 1 42 42 LYS HE2 H 1 3.000 0.007 . 1 . 718 . A 56 LYS HE2 . 34073 1 475 . 1 1 42 42 LYS HE3 H 1 3.000 0.007 . 1 . 413 . A 56 LYS HE3 . 34073 1 476 . 1 1 42 42 LYS CA C 13 54.870 0.044 . 1 . 402 . A 56 LYS CA . 34073 1 477 . 1 1 42 42 LYS CB C 13 31.288 0.031 . 1 . 404 . A 56 LYS CB . 34073 1 478 . 1 1 42 42 LYS CG C 13 23.361 0.277 . 1 . 407 . A 56 LYS CG . 34073 1 479 . 1 1 42 42 LYS CD C 13 28.851 0.051 . 1 . 410 . A 56 LYS CD . 34073 1 480 . 1 1 42 42 LYS N N 15 120.235 0.028 . 1 . 400 . A 56 LYS N . 34073 1 481 . 1 1 43 43 GLY H H 1 7.907 0.020 . 1 . 415 . A 57 GLY H . 34073 1 482 . 1 1 43 43 GLY HA2 H 1 4.261 0.020 . 2 . 417 . A 57 GLY HA2 . 34073 1 483 . 1 1 43 43 GLY HA3 H 1 3.700 0.020 . 2 . 418 . A 57 GLY HA3 . 34073 1 484 . 1 1 43 43 GLY CA C 13 44.977 0.011 . 1 . 416 . A 57 GLY CA . 34073 1 485 . 1 1 43 43 GLY N N 15 106.138 0.006 . 1 . 414 . A 57 GLY N . 34073 1 486 . 1 1 44 44 LEU H H 1 7.379 0.016 . 1 . 420 . A 58 LEU H . 34073 1 487 . 1 1 44 44 LEU HA H 1 4.599 0.020 . 1 . 422 . A 58 LEU HA . 34073 1 488 . 1 1 44 44 LEU HB2 H 1 1.910 0.020 . 2 . 424 . A 58 LEU HB2 . 34073 1 489 . 1 1 44 44 LEU HB3 H 1 1.230 0.020 . 2 . 425 . A 58 LEU HB3 . 34073 1 490 . 1 1 44 44 LEU HG H 1 1.867 0.005 . 1 . 427 . A 58 LEU HG . 34073 1 491 . 1 1 44 44 LEU HD11 H 1 0.896 0.020 . 2 . 428 . A 58 LEU HD11 . 34073 1 492 . 1 1 44 44 LEU HD12 H 1 0.896 0.020 . 2 . 428 . A 58 LEU HD12 . 34073 1 493 . 1 1 44 44 LEU HD13 H 1 0.896 0.020 . 2 . 428 . A 58 LEU HD13 . 34073 1 494 . 1 1 44 44 LEU HD21 H 1 0.753 0.020 . 2 . 429 . A 58 LEU HD21 . 34073 1 495 . 1 1 44 44 LEU HD22 H 1 0.753 0.020 . 2 . 429 . A 58 LEU HD22 . 34073 1 496 . 1 1 44 44 LEU HD23 H 1 0.753 0.020 . 2 . 429 . A 58 LEU HD23 . 34073 1 497 . 1 1 44 44 LEU CA C 13 57.494 0.042 . 1 . 421 . A 58 LEU CA . 34073 1 498 . 1 1 44 44 LEU CB C 13 42.662 0.032 . 1 . 423 . A 58 LEU CB . 34073 1 499 . 1 1 44 44 LEU CG C 13 31.925 0.100 . 1 . 426 . A 58 LEU CG . 34073 1 500 . 1 1 44 44 LEU CD1 C 13 24.525 0.128 . 2 . 430 . A 58 LEU CD1 . 34073 1 501 . 1 1 44 44 LEU CD2 C 13 26.973 0.028 . 2 . 431 . A 58 LEU CD2 . 34073 1 502 . 1 1 44 44 LEU N N 15 121.846 0.099 . 1 . 419 . A 58 LEU N . 34073 1 503 . 1 1 45 45 SER H H 1 8.091 0.020 . 1 . 433 . A 59 SER H . 34073 1 504 . 1 1 45 45 SER HA H 1 4.525 0.003 . 1 . 435 . A 59 SER HA . 34073 1 505 . 1 1 45 45 SER HB2 H 1 4.396 0.020 . 2 . 437 . A 59 SER HB2 . 34073 1 506 . 1 1 45 45 SER HB3 H 1 4.032 0.020 . 2 . 438 . A 59 SER HB3 . 34073 1 507 . 1 1 45 45 SER CA C 13 55.943 0.056 . 1 . 434 . A 59 SER CA . 34073 1 508 . 1 1 45 45 SER CB C 13 66.115 0.042 . 1 . 436 . A 59 SER CB . 34073 1 509 . 1 1 45 45 SER N N 15 115.186 0.076 . 1 . 432 . A 59 SER N . 34073 1 510 . 1 1 46 46 ALA H H 1 9.145 0.020 . 1 . 440 . A 60 ALA H . 34073 1 511 . 1 1 46 46 ALA HA H 1 3.818 0.020 . 1 . 442 . A 60 ALA HA . 34073 1 512 . 1 1 46 46 ALA HB1 H 1 1.329 0.020 . 1 . 443 . A 60 ALA HB1 . 34073 1 513 . 1 1 46 46 ALA HB2 H 1 1.329 0.020 . 1 . 443 . A 60 ALA HB2 . 34073 1 514 . 1 1 46 46 ALA HB3 H 1 1.329 0.020 . 1 . 443 . A 60 ALA HB3 . 34073 1 515 . 1 1 46 46 ALA CA C 13 55.980 0.064 . 1 . 441 . A 60 ALA CA . 34073 1 516 . 1 1 46 46 ALA CB C 13 18.163 0.012 . 1 . 444 . A 60 ALA CB . 34073 1 517 . 1 1 46 46 ALA N N 15 122.537 0.018 . 1 . 439 . A 60 ALA N . 34073 1 518 . 1 1 47 47 GLU H H 1 9.248 0.006 . 1 . 446 . A 61 GLU H . 34073 1 519 . 1 1 47 47 GLU HA H 1 3.854 0.020 . 1 . 448 . A 61 GLU HA . 34073 1 520 . 1 1 47 47 GLU HB2 H 1 2.112 0.020 . 2 . 450 . A 61 GLU HB2 . 34073 1 521 . 1 1 47 47 GLU HB3 H 1 1.944 0.020 . 2 . 451 . A 61 GLU HB3 . 34073 1 522 . 1 1 47 47 GLU HG2 H 1 2.524 0.020 . 2 . 453 . A 61 GLU HG2 . 34073 1 523 . 1 1 47 47 GLU HG3 H 1 2.331 0.020 . 2 . 454 . A 61 GLU HG3 . 34073 1 524 . 1 1 47 47 GLU CA C 13 61.062 0.015 . 1 . 447 . A 61 GLU CA . 34073 1 525 . 1 1 47 47 GLU CB C 13 29.120 0.088 . 1 . 449 . A 61 GLU CB . 34073 1 526 . 1 1 47 47 GLU CG C 13 37.587 0.054 . 1 . 452 . A 61 GLU CG . 34073 1 527 . 1 1 47 47 GLU N N 15 116.738 0.021 . 1 . 445 . A 61 GLU N . 34073 1 528 . 1 1 48 48 GLU H H 1 7.706 0.002 . 1 . 456 . A 62 GLU H . 34073 1 529 . 1 1 48 48 GLU HA H 1 3.857 0.020 . 1 . 458 . A 62 GLU HA . 34073 1 530 . 1 1 48 48 GLU HB2 H 1 2.311 0.020 . 2 . 460 . A 62 GLU HB2 . 34073 1 531 . 1 1 48 48 GLU HB3 H 1 1.826 0.020 . 2 . 461 . A 62 GLU HB3 . 34073 1 532 . 1 1 48 48 GLU CA C 13 59.377 0.141 . 1 . 457 . A 62 GLU CA . 34073 1 533 . 1 1 48 48 GLU CB C 13 30.000 0.027 . 1 . 459 . A 62 GLU CB . 34073 1 534 . 1 1 48 48 GLU CG C 13 37.113 0.200 . 1 . 462 . A 62 GLU CG . 34073 1 535 . 1 1 48 48 GLU N N 15 122.184 0.031 . 1 . 455 . A 62 GLU N . 34073 1 536 . 1 1 49 49 ILE H H 1 8.523 0.020 . 1 . 464 . A 63 ILE H . 34073 1 537 . 1 1 49 49 ILE HA H 1 3.455 0.020 . 1 . 466 . A 63 ILE HA . 34073 1 538 . 1 1 49 49 ILE HB H 1 2.085 0.020 . 1 . 468 . A 63 ILE HB . 34073 1 539 . 1 1 49 49 ILE HG12 H 1 0.746 0.020 . 2 . 472 . A 63 ILE HG12 . 34073 1 540 . 1 1 49 49 ILE HG13 H 1 2.030 0.004 . 2 . 473 . A 63 ILE HG13 . 34073 1 541 . 1 1 49 49 ILE HG21 H 1 1.143 0.002 . 1 . 469 . A 63 ILE HG21 . 34073 1 542 . 1 1 49 49 ILE HG22 H 1 1.143 0.002 . 1 . 469 . A 63 ILE HG22 . 34073 1 543 . 1 1 49 49 ILE HG23 H 1 1.143 0.002 . 1 . 469 . A 63 ILE HG23 . 34073 1 544 . 1 1 49 49 ILE HD11 H 1 0.727 0.007 . 1 . 474 . A 63 ILE HD11 . 34073 1 545 . 1 1 49 49 ILE HD12 H 1 0.727 0.007 . 1 . 474 . A 63 ILE HD12 . 34073 1 546 . 1 1 49 49 ILE HD13 H 1 0.727 0.007 . 1 . 474 . A 63 ILE HD13 . 34073 1 547 . 1 1 49 49 ILE CA C 13 66.410 0.004 . 1 . 465 . A 63 ILE CA . 34073 1 548 . 1 1 49 49 ILE CB C 13 38.254 0.033 . 1 . 467 . A 63 ILE CB . 34073 1 549 . 1 1 49 49 ILE CG1 C 13 30.537 0.063 . 1 . 471 . A 63 ILE CG1 . 34073 1 550 . 1 1 49 49 ILE CG2 C 13 18.861 0.010 . 1 . 470 . A 63 ILE CG2 . 34073 1 551 . 1 1 49 49 ILE CD1 C 13 13.570 0.012 . 1 . 475 . A 63 ILE CD1 . 34073 1 552 . 1 1 49 49 ILE N N 15 120.300 0.043 . 1 . 463 . A 63 ILE N . 34073 1 553 . 1 1 50 50 CYS H H 1 8.607 0.001 . 1 . 477 . A 64 CYS H . 34073 1 554 . 1 1 50 50 CYS HA H 1 3.957 0.020 . 1 . 479 . A 64 CYS HA . 34073 1 555 . 1 1 50 50 CYS HB2 H 1 3.123 0.004 . 2 . 481 . A 64 CYS HB2 . 34073 1 556 . 1 1 50 50 CYS HB3 H 1 2.955 0.003 . 2 . 482 . A 64 CYS HB3 . 34073 1 557 . 1 1 50 50 CYS CA C 13 64.520 0.029 . 1 . 478 . A 64 CYS CA . 34073 1 558 . 1 1 50 50 CYS CB C 13 26.805 0.037 . 1 . 480 . A 64 CYS CB . 34073 1 559 . 1 1 50 50 CYS N N 15 118.750 0.007 . 1 . 476 . A 64 CYS N . 34073 1 560 . 1 1 51 51 GLU H H 1 8.123 0.020 . 1 . 484 . A 65 GLU H . 34073 1 561 . 1 1 51 51 GLU HA H 1 4.084 0.020 . 1 . 486 . A 65 GLU HA . 34073 1 562 . 1 1 51 51 GLU HB2 H 1 2.206 0.020 . 1 . 488 . A 65 GLU HB2 . 34073 1 563 . 1 1 51 51 GLU HB3 H 1 2.206 0.020 . 1 . 719 . A 65 GLU HB3 . 34073 1 564 . 1 1 51 51 GLU HG2 H 1 2.450 0.020 . 2 . 490 . A 65 GLU HG2 . 34073 1 565 . 1 1 51 51 GLU HG3 H 1 2.066 0.020 . 2 . 491 . A 65 GLU HG3 . 34073 1 566 . 1 1 51 51 GLU CA C 13 60.039 0.016 . 1 . 485 . A 65 GLU CA . 34073 1 567 . 1 1 51 51 GLU CB C 13 29.449 0.014 . 1 . 487 . A 65 GLU CB . 34073 1 568 . 1 1 51 51 GLU CG C 13 36.469 0.045 . 1 . 489 . A 65 GLU CG . 34073 1 569 . 1 1 51 51 GLU N N 15 122.181 0.037 . 1 . 483 . A 65 GLU N . 34073 1 570 . 1 1 52 52 ALA H H 1 8.259 0.020 . 1 . 493 . A 66 ALA H . 34073 1 571 . 1 1 52 52 ALA HA H 1 3.832 0.020 . 1 . 495 . A 66 ALA HA . 34073 1 572 . 1 1 52 52 ALA HB1 H 1 1.366 0.020 . 1 . 496 . A 66 ALA HB1 . 34073 1 573 . 1 1 52 52 ALA HB2 H 1 1.366 0.020 . 1 . 496 . A 66 ALA HB2 . 34073 1 574 . 1 1 52 52 ALA HB3 H 1 1.366 0.020 . 1 . 496 . A 66 ALA HB3 . 34073 1 575 . 1 1 52 52 ALA CA C 13 55.681 0.087 . 1 . 494 . A 66 ALA CA . 34073 1 576 . 1 1 52 52 ALA CB C 13 18.397 0.028 . 1 . 497 . A 66 ALA CB . 34073 1 577 . 1 1 52 52 ALA N N 15 122.320 0.013 . 1 . 492 . A 66 ALA N . 34073 1 578 . 1 1 53 53 PHE H H 1 8.180 0.015 . 1 . 499 . A 67 PHE H . 34073 1 579 . 1 1 53 53 PHE HA H 1 4.010 0.020 . 1 . 501 . A 67 PHE HA . 34073 1 580 . 1 1 53 53 PHE HB2 H 1 3.824 0.020 . 2 . 503 . A 67 PHE HB2 . 34073 1 581 . 1 1 53 53 PHE HB3 H 1 2.880 0.001 . 2 . 504 . A 67 PHE HB3 . 34073 1 582 . 1 1 53 53 PHE HD1 H 1 7.537 0.020 . 3 . 505 . A 67 PHE HD1 . 34073 1 583 . 1 1 53 53 PHE HD2 H 1 7.537 0.020 . 3 . 505 . A 67 PHE HD2 . 34073 1 584 . 1 1 53 53 PHE HE1 H 1 7.170 0.003 . 3 . 506 . A 67 PHE HE1 . 34073 1 585 . 1 1 53 53 PHE HE2 H 1 7.170 0.003 . 3 . 506 . A 67 PHE HE2 . 34073 1 586 . 1 1 53 53 PHE HZ H 1 7.069 0.004 . 1 . 510 . A 67 PHE HZ . 34073 1 587 . 1 1 53 53 PHE CA C 13 63.121 0.033 . 1 . 500 . A 67 PHE CA . 34073 1 588 . 1 1 53 53 PHE CB C 13 37.659 0.012 . 1 . 502 . A 67 PHE CB . 34073 1 589 . 1 1 53 53 PHE CD1 C 13 132.225 0.286 . 3 . 507 . A 67 PHE CD1 . 34073 1 590 . 1 1 53 53 PHE CD2 C 13 132.225 0.286 . 3 . 507 . A 67 PHE CD2 . 34073 1 591 . 1 1 53 53 PHE CE1 C 13 130.355 0.224 . 3 . 508 . A 67 PHE CE1 . 34073 1 592 . 1 1 53 53 PHE CE2 C 13 130.355 0.224 . 3 . 508 . A 67 PHE CE2 . 34073 1 593 . 1 1 53 53 PHE CZ C 13 128.535 0.188 . 1 . 509 . A 67 PHE CZ . 34073 1 594 . 1 1 53 53 PHE N N 15 114.787 0.031 . 1 . 498 . A 67 PHE N . 34073 1 595 . 1 1 54 54 THR H H 1 8.143 0.025 . 1 . 512 . A 68 THR H . 34073 1 596 . 1 1 54 54 THR HA H 1 4.486 0.020 . 1 . 514 . A 68 THR HA . 34073 1 597 . 1 1 54 54 THR HB H 1 3.746 0.020 . 1 . 516 . A 68 THR HB . 34073 1 598 . 1 1 54 54 THR HG21 H 1 1.267 0.020 . 1 . 517 . A 68 THR HG21 . 34073 1 599 . 1 1 54 54 THR HG22 H 1 1.267 0.020 . 1 . 517 . A 68 THR HG22 . 34073 1 600 . 1 1 54 54 THR HG23 H 1 1.267 0.020 . 1 . 517 . A 68 THR HG23 . 34073 1 601 . 1 1 54 54 THR CA C 13 68.694 0.078 . 1 . 513 . A 68 THR CA . 34073 1 602 . 1 1 54 54 THR CB C 13 68.004 0.120 . 1 . 515 . A 68 THR CB . 34073 1 603 . 1 1 54 54 THR CG2 C 13 21.506 0.057 . 1 . 518 . A 68 THR CG2 . 34073 1 604 . 1 1 54 54 THR N N 15 116.517 0.008 . 1 . 511 . A 68 THR N . 34073 1 605 . 1 1 55 55 LYS H H 1 8.381 0.001 . 1 . 520 . A 69 LYS H . 34073 1 606 . 1 1 55 55 LYS HA H 1 4.080 0.016 . 1 . 522 . A 69 LYS HA . 34073 1 607 . 1 1 55 55 LYS HB2 H 1 1.983 0.020 . 2 . 524 . A 69 LYS HB2 . 34073 1 608 . 1 1 55 55 LYS HB3 H 1 1.902 0.005 . 2 . 525 . A 69 LYS HB3 . 34073 1 609 . 1 1 55 55 LYS HG2 H 1 1.662 0.020 . 2 . 527 . A 69 LYS HG2 . 34073 1 610 . 1 1 55 55 LYS HG3 H 1 1.494 0.020 . 2 . 528 . A 69 LYS HG3 . 34073 1 611 . 1 1 55 55 LYS HD2 H 1 1.620 0.004 . 2 . 530 . A 69 LYS HD2 . 34073 1 612 . 1 1 55 55 LYS HD3 H 1 1.541 0.025 . 2 . 531 . A 69 LYS HD3 . 34073 1 613 . 1 1 55 55 LYS HE2 H 1 2.984 0.008 . 1 . 720 . A 69 LYS HE2 . 34073 1 614 . 1 1 55 55 LYS HE3 H 1 2.984 0.008 . 1 . 533 . A 69 LYS HE3 . 34073 1 615 . 1 1 55 55 LYS CA C 13 59.665 0.014 . 1 . 521 . A 69 LYS CA . 34073 1 616 . 1 1 55 55 LYS CB C 13 32.849 0.065 . 1 . 523 . A 69 LYS CB . 34073 1 617 . 1 1 55 55 LYS CG C 13 26.466 0.074 . 1 . 526 . A 69 LYS CG . 34073 1 618 . 1 1 55 55 LYS CD C 13 29.173 0.065 . 1 . 529 . A 69 LYS CD . 34073 1 619 . 1 1 55 55 LYS CE C 13 42.089 0.200 . 1 . 532 . A 69 LYS CE . 34073 1 620 . 1 1 55 55 LYS N N 15 123.373 0.033 . 1 . 519 . A 69 LYS N . 34073 1 621 . 1 1 56 56 VAL H H 1 7.466 0.005 . 1 . 535 . A 70 VAL H . 34073 1 622 . 1 1 56 56 VAL HA H 1 4.505 0.020 . 1 . 537 . A 70 VAL HA . 34073 1 623 . 1 1 56 56 VAL HB H 1 2.468 0.001 . 1 . 539 . A 70 VAL HB . 34073 1 624 . 1 1 56 56 VAL HG11 H 1 1.024 0.020 . 2 . 540 . A 70 VAL HG11 . 34073 1 625 . 1 1 56 56 VAL HG12 H 1 1.024 0.020 . 2 . 540 . A 70 VAL HG12 . 34073 1 626 . 1 1 56 56 VAL HG13 H 1 1.024 0.020 . 2 . 540 . A 70 VAL HG13 . 34073 1 627 . 1 1 56 56 VAL HG21 H 1 0.997 0.020 . 2 . 541 . A 70 VAL HG21 . 34073 1 628 . 1 1 56 56 VAL HG22 H 1 0.997 0.020 . 2 . 541 . A 70 VAL HG22 . 34073 1 629 . 1 1 56 56 VAL HG23 H 1 0.997 0.020 . 2 . 541 . A 70 VAL HG23 . 34073 1 630 . 1 1 56 56 VAL CA C 13 61.260 0.040 . 1 . 536 . A 70 VAL CA . 34073 1 631 . 1 1 56 56 VAL CB C 13 31.404 0.029 . 1 . 538 . A 70 VAL CB . 34073 1 632 . 1 1 56 56 VAL CG1 C 13 22.846 0.027 . 2 . 542 . A 70 VAL CG1 . 34073 1 633 . 1 1 56 56 VAL CG2 C 13 20.323 0.030 . 2 . 543 . A 70 VAL CG2 . 34073 1 634 . 1 1 56 56 VAL N N 15 110.187 0.063 . 1 . 534 . A 70 VAL N . 34073 1 635 . 1 1 57 57 GLY H H 1 7.861 0.009 . 1 . 545 . A 71 GLY H . 34073 1 636 . 1 1 57 57 GLY HA2 H 1 4.226 0.020 . 2 . 547 . A 71 GLY HA2 . 34073 1 637 . 1 1 57 57 GLY HA3 H 1 3.912 0.020 . 2 . 548 . A 71 GLY HA3 . 34073 1 638 . 1 1 57 57 GLY CA C 13 45.707 0.013 . 1 . 546 . A 71 GLY CA . 34073 1 639 . 1 1 57 57 GLY N N 15 109.025 0.037 . 1 . 544 . A 71 GLY N . 34073 1 640 . 1 1 58 58 GLN H H 1 8.036 0.004 . 1 . 550 . A 72 GLN H . 34073 1 641 . 1 1 58 58 GLN HA H 1 4.862 0.020 . 1 . 552 . A 72 GLN HA . 34073 1 642 . 1 1 58 58 GLN HB2 H 1 2.201 0.004 . 2 . 554 . A 72 GLN HB2 . 34073 1 643 . 1 1 58 58 GLN HB3 H 1 1.910 0.020 . 2 . 555 . A 72 GLN HB3 . 34073 1 644 . 1 1 58 58 GLN HG2 H 1 2.374 0.006 . 2 . 557 . A 72 GLN HG2 . 34073 1 645 . 1 1 58 58 GLN HG3 H 1 2.259 0.020 . 2 . 558 . A 72 GLN HG3 . 34073 1 646 . 1 1 58 58 GLN HE21 H 1 7.538 0.020 . 1 . 560 . A 72 GLN HE21 . 34073 1 647 . 1 1 58 58 GLN HE22 H 1 6.722 0.020 . 1 . 561 . A 72 GLN HE22 . 34073 1 648 . 1 1 58 58 GLN CA C 13 52.644 0.057 . 1 . 551 . A 72 GLN CA . 34073 1 649 . 1 1 58 58 GLN CB C 13 30.043 0.080 . 1 . 553 . A 72 GLN CB . 34073 1 650 . 1 1 58 58 GLN CG C 13 33.166 0.098 . 1 . 556 . A 72 GLN CG . 34073 1 651 . 1 1 58 58 GLN N N 15 119.303 0.060 . 1 . 549 . A 72 GLN N . 34073 1 652 . 1 1 58 58 GLN NE2 N 15 111.051 0.015 . 1 . 559 . A 72 GLN NE2 . 34073 1 653 . 1 1 59 59 PRO HA H 1 4.068 0.020 . 1 . 564 . A 73 PRO HA . 34073 1 654 . 1 1 59 59 PRO HB2 H 1 2.223 0.005 . 2 . 566 . A 73 PRO HB2 . 34073 1 655 . 1 1 59 59 PRO HB3 H 1 1.889 0.007 . 2 . 567 . A 73 PRO HB3 . 34073 1 656 . 1 1 59 59 PRO HG2 H 1 2.032 0.006 . 2 . 569 . A 73 PRO HG2 . 34073 1 657 . 1 1 59 59 PRO HG3 H 1 1.989 0.001 . 2 . 570 . A 73 PRO HG3 . 34073 1 658 . 1 1 59 59 PRO HD2 H 1 3.595 0.004 . 2 . 571 . A 73 PRO HD2 . 34073 1 659 . 1 1 59 59 PRO HD3 H 1 3.405 0.015 . 2 . 572 . A 73 PRO HD3 . 34073 1 660 . 1 1 59 59 PRO CA C 13 63.981 0.036 . 1 . 563 . A 73 PRO CA . 34073 1 661 . 1 1 59 59 PRO CB C 13 32.180 0.075 . 1 . 565 . A 73 PRO CB . 34073 1 662 . 1 1 59 59 PRO CG C 13 27.893 0.083 . 1 . 568 . A 73 PRO CG . 34073 1 663 . 1 1 59 59 PRO CD C 13 50.219 0.116 . 1 . 562 . A 73 PRO CD . 34073 1 664 . 1 1 60 60 LYS H H 1 7.996 0.020 . 1 . 574 . A 74 LYS H . 34073 1 665 . 1 1 60 60 LYS HA H 1 4.683 0.005 . 1 . 576 . A 74 LYS HA . 34073 1 666 . 1 1 60 60 LYS HB2 H 1 1.445 0.020 . 2 . 578 . A 74 LYS HB2 . 34073 1 667 . 1 1 60 60 LYS HB3 H 1 1.274 0.020 . 2 . 579 . A 74 LYS HB3 . 34073 1 668 . 1 1 60 60 LYS HG2 H 1 1.196 0.007 . 2 . 581 . A 74 LYS HG2 . 34073 1 669 . 1 1 60 60 LYS HG3 H 1 0.418 0.004 . 2 . 582 . A 74 LYS HG3 . 34073 1 670 . 1 1 60 60 LYS HD2 H 1 1.457 0.003 . 2 . 584 . A 74 LYS HD2 . 34073 1 671 . 1 1 60 60 LYS HD3 H 1 1.045 0.003 . 2 . 585 . A 74 LYS HD3 . 34073 1 672 . 1 1 60 60 LYS HE2 H 1 2.623 0.003 . 2 . 587 . A 74 LYS HE2 . 34073 1 673 . 1 1 60 60 LYS HE3 H 1 2.383 0.002 . 2 . 588 . A 74 LYS HE3 . 34073 1 674 . 1 1 60 60 LYS CA C 13 52.770 0.008 . 1 . 575 . A 74 LYS CA . 34073 1 675 . 1 1 60 60 LYS CB C 13 36.107 0.031 . 1 . 577 . A 74 LYS CB . 34073 1 676 . 1 1 60 60 LYS CG C 13 23.598 0.093 . 1 . 580 . A 74 LYS CG . 34073 1 677 . 1 1 60 60 LYS CD C 13 27.841 0.032 . 1 . 583 . A 74 LYS CD . 34073 1 678 . 1 1 60 60 LYS CE C 13 42.282 0.032 . 1 . 586 . A 74 LYS CE . 34073 1 679 . 1 1 60 60 LYS N N 15 121.113 0.067 . 1 . 573 . A 74 LYS N . 34073 1 680 . 1 1 61 61 THR H H 1 9.007 0.012 . 1 . 590 . A 75 THR H . 34073 1 681 . 1 1 61 61 THR HA H 1 4.345 0.020 . 1 . 592 . A 75 THR HA . 34073 1 682 . 1 1 61 61 THR HB H 1 4.618 0.020 . 1 . 594 . A 75 THR HB . 34073 1 683 . 1 1 61 61 THR HG21 H 1 1.317 0.020 . 1 . 595 . A 75 THR HG21 . 34073 1 684 . 1 1 61 61 THR HG22 H 1 1.317 0.020 . 1 . 595 . A 75 THR HG22 . 34073 1 685 . 1 1 61 61 THR HG23 H 1 1.317 0.020 . 1 . 595 . A 75 THR HG23 . 34073 1 686 . 1 1 61 61 THR CA C 13 60.895 0.037 . 1 . 591 . A 75 THR CA . 34073 1 687 . 1 1 61 61 THR CB C 13 70.656 0.184 . 1 . 593 . A 75 THR CB . 34073 1 688 . 1 1 61 61 THR CG2 C 13 22.035 0.200 . 1 . 596 . A 75 THR CG2 . 34073 1 689 . 1 1 61 61 THR N N 15 113.675 0.118 . 1 . 589 . A 75 THR N . 34073 1 690 . 1 1 62 62 LEU H H 1 8.831 0.020 . 1 . 598 . A 76 LEU H . 34073 1 691 . 1 1 62 62 LEU HA H 1 3.971 0.020 . 1 . 600 . A 76 LEU HA . 34073 1 692 . 1 1 62 62 LEU HB2 H 1 1.728 0.020 . 1 . 721 . A 76 LEU HB2 . 34073 1 693 . 1 1 62 62 LEU HB3 H 1 1.728 0.020 . 1 . 602 . A 76 LEU HB3 . 34073 1 694 . 1 1 62 62 LEU HG H 1 1.579 0.020 . 1 . 604 . A 76 LEU HG . 34073 1 695 . 1 1 62 62 LEU HD11 H 1 0.901 0.004 . 2 . 605 . A 76 LEU HD11 . 34073 1 696 . 1 1 62 62 LEU HD12 H 1 0.901 0.004 . 2 . 605 . A 76 LEU HD12 . 34073 1 697 . 1 1 62 62 LEU HD13 H 1 0.901 0.004 . 2 . 605 . A 76 LEU HD13 . 34073 1 698 . 1 1 62 62 LEU HD21 H 1 0.945 0.020 . 2 . 606 . A 76 LEU HD21 . 34073 1 699 . 1 1 62 62 LEU HD22 H 1 0.945 0.020 . 2 . 606 . A 76 LEU HD22 . 34073 1 700 . 1 1 62 62 LEU HD23 H 1 0.945 0.020 . 2 . 606 . A 76 LEU HD23 . 34073 1 701 . 1 1 62 62 LEU CA C 13 58.187 0.045 . 1 . 599 . A 76 LEU CA . 34073 1 702 . 1 1 62 62 LEU CB C 13 41.295 0.011 . 1 . 601 . A 76 LEU CB . 34073 1 703 . 1 1 62 62 LEU CG C 13 27.058 0.043 . 1 . 603 . A 76 LEU CG . 34073 1 704 . 1 1 62 62 LEU CD1 C 13 24.144 0.132 . 2 . 607 . A 76 LEU CD1 . 34073 1 705 . 1 1 62 62 LEU CD2 C 13 25.433 0.104 . 2 . 608 . A 76 LEU CD2 . 34073 1 706 . 1 1 62 62 LEU N N 15 123.644 0.125 . 1 . 597 . A 76 LEU N . 34073 1 707 . 1 1 63 63 ASN H H 1 8.447 0.004 . 1 . 610 . A 77 ASN H . 34073 1 708 . 1 1 63 63 ASN HA H 1 4.322 0.020 . 1 . 612 . A 77 ASN HA . 34073 1 709 . 1 1 63 63 ASN HB2 H 1 2.740 0.020 . 2 . 614 . A 77 ASN HB2 . 34073 1 710 . 1 1 63 63 ASN HB3 H 1 2.692 0.007 . 2 . 615 . A 77 ASN HB3 . 34073 1 711 . 1 1 63 63 ASN HD21 H 1 7.695 0.020 . 1 . 617 . A 77 ASN HD21 . 34073 1 712 . 1 1 63 63 ASN HD22 H 1 7.001 0.020 . 1 . 618 . A 77 ASN HD22 . 34073 1 713 . 1 1 63 63 ASN CA C 13 56.333 0.009 . 1 . 611 . A 77 ASN CA . 34073 1 714 . 1 1 63 63 ASN CB C 13 38.027 0.029 . 1 . 613 . A 77 ASN CB . 34073 1 715 . 1 1 63 63 ASN N N 15 114.808 0.010 . 1 . 609 . A 77 ASN N . 34073 1 716 . 1 1 63 63 ASN ND2 N 15 112.900 0.048 . 1 . 616 . A 77 ASN ND2 . 34073 1 717 . 1 1 64 64 GLU H H 1 7.945 0.029 . 1 . 620 . A 78 GLU H . 34073 1 718 . 1 1 64 64 GLU HA H 1 4.032 0.024 . 1 . 622 . A 78 GLU HA . 34073 1 719 . 1 1 64 64 GLU HB2 H 1 2.183 0.020 . 2 . 624 . A 78 GLU HB2 . 34073 1 720 . 1 1 64 64 GLU HB3 H 1 1.900 0.020 . 2 . 625 . A 78 GLU HB3 . 34073 1 721 . 1 1 64 64 GLU HG2 H 1 2.178 0.004 . 2 . 627 . A 78 GLU HG2 . 34073 1 722 . 1 1 64 64 GLU HG3 H 1 2.272 0.005 . 2 . 628 . A 78 GLU HG3 . 34073 1 723 . 1 1 64 64 GLU CA C 13 59.340 0.018 . 1 . 621 . A 78 GLU CA . 34073 1 724 . 1 1 64 64 GLU CB C 13 29.364 0.156 . 1 . 623 . A 78 GLU CB . 34073 1 725 . 1 1 64 64 GLU CG C 13 36.377 0.058 . 1 . 626 . A 78 GLU CG . 34073 1 726 . 1 1 64 64 GLU N N 15 121.335 0.093 . 1 . 619 . A 78 GLU N . 34073 1 727 . 1 1 65 65 ILE H H 1 7.651 0.004 . 1 . 630 . A 79 ILE H . 34073 1 728 . 1 1 65 65 ILE HA H 1 3.575 0.001 . 1 . 632 . A 79 ILE HA . 34073 1 729 . 1 1 65 65 ILE HB H 1 2.090 0.020 . 1 . 634 . A 79 ILE HB . 34073 1 730 . 1 1 65 65 ILE HG12 H 1 1.359 0.017 . 2 . 638 . A 79 ILE HG12 . 34073 1 731 . 1 1 65 65 ILE HG13 H 1 1.401 0.020 . 2 . 639 . A 79 ILE HG13 . 34073 1 732 . 1 1 65 65 ILE HG21 H 1 0.921 0.020 . 1 . 635 . A 79 ILE HG21 . 34073 1 733 . 1 1 65 65 ILE HG22 H 1 0.921 0.020 . 1 . 635 . A 79 ILE HG22 . 34073 1 734 . 1 1 65 65 ILE HG23 H 1 0.921 0.020 . 1 . 635 . A 79 ILE HG23 . 34073 1 735 . 1 1 65 65 ILE HD11 H 1 0.511 0.020 . 1 . 640 . A 79 ILE HD11 . 34073 1 736 . 1 1 65 65 ILE HD12 H 1 0.511 0.020 . 1 . 640 . A 79 ILE HD12 . 34073 1 737 . 1 1 65 65 ILE HD13 H 1 0.511 0.020 . 1 . 640 . A 79 ILE HD13 . 34073 1 738 . 1 1 65 65 ILE CA C 13 63.312 0.021 . 1 . 631 . A 79 ILE CA . 34073 1 739 . 1 1 65 65 ILE CB C 13 36.333 0.029 . 1 . 633 . A 79 ILE CB . 34073 1 740 . 1 1 65 65 ILE CG1 C 13 28.291 0.037 . 1 . 637 . A 79 ILE CG1 . 34073 1 741 . 1 1 65 65 ILE CG2 C 13 17.850 0.030 . 1 . 636 . A 79 ILE CG2 . 34073 1 742 . 1 1 65 65 ILE CD1 C 13 10.692 0.029 . 1 . 641 . A 79 ILE CD1 . 34073 1 743 . 1 1 65 65 ILE N N 15 119.463 0.096 . 1 . 629 . A 79 ILE N . 34073 1 744 . 1 1 66 66 LYS H H 1 8.710 0.007 . 1 . 643 . A 80 LYS H . 34073 1 745 . 1 1 66 66 LYS HA H 1 3.820 0.020 . 1 . 645 . A 80 LYS HA . 34073 1 746 . 1 1 66 66 LYS HB2 H 1 1.817 0.020 . 1 . 722 . A 80 LYS HB2 . 34073 1 747 . 1 1 66 66 LYS HB3 H 1 1.817 0.020 . 1 . 647 . A 80 LYS HB3 . 34073 1 748 . 1 1 66 66 LYS HG2 H 1 1.600 0.020 . 2 . 649 . A 80 LYS HG2 . 34073 1 749 . 1 1 66 66 LYS HG3 H 1 1.306 0.020 . 2 . 650 . A 80 LYS HG3 . 34073 1 750 . 1 1 66 66 LYS HD2 H 1 1.640 0.009 . 1 . 723 . A 80 LYS HD2 . 34073 1 751 . 1 1 66 66 LYS HD3 H 1 1.640 0.009 . 1 . 652 . A 80 LYS HD3 . 34073 1 752 . 1 1 66 66 LYS HE2 H 1 2.830 0.020 . 2 . 654 . A 80 LYS HE2 . 34073 1 753 . 1 1 66 66 LYS HE3 H 1 2.896 0.020 . 2 . 655 . A 80 LYS HE3 . 34073 1 754 . 1 1 66 66 LYS CA C 13 60.446 0.020 . 1 . 644 . A 80 LYS CA . 34073 1 755 . 1 1 66 66 LYS CB C 13 32.126 0.009 . 1 . 646 . A 80 LYS CB . 34073 1 756 . 1 1 66 66 LYS CG C 13 26.563 0.191 . 1 . 648 . A 80 LYS CG . 34073 1 757 . 1 1 66 66 LYS CD C 13 29.425 0.063 . 1 . 651 . A 80 LYS CD . 34073 1 758 . 1 1 66 66 LYS CE C 13 41.902 0.020 . 1 . 653 . A 80 LYS CE . 34073 1 759 . 1 1 66 66 LYS N N 15 117.846 0.055 . 1 . 642 . A 80 LYS N . 34073 1 760 . 1 1 67 67 ARG H H 1 7.904 0.001 . 1 . 657 . A 81 ARG H . 34073 1 761 . 1 1 67 67 ARG HA H 1 4.047 0.002 . 1 . 659 . A 81 ARG HA . 34073 1 762 . 1 1 67 67 ARG HB2 H 1 1.970 0.005 . 2 . 661 . A 81 ARG HB2 . 34073 1 763 . 1 1 67 67 ARG HB3 H 1 1.949 0.002 . 2 . 662 . A 81 ARG HB3 . 34073 1 764 . 1 1 67 67 ARG HG2 H 1 1.740 0.009 . 2 . 664 . A 81 ARG HG2 . 34073 1 765 . 1 1 67 67 ARG HG3 H 1 1.627 0.004 . 2 . 665 . A 81 ARG HG3 . 34073 1 766 . 1 1 67 67 ARG HD2 H 1 3.213 0.007 . 1 . 667 . A 81 ARG HD2 . 34073 1 767 . 1 1 67 67 ARG HD3 H 1 3.213 0.007 . 1 . 724 . A 81 ARG HD3 . 34073 1 768 . 1 1 67 67 ARG CA C 13 59.281 0.033 . 1 . 658 . A 81 ARG CA . 34073 1 769 . 1 1 67 67 ARG CB C 13 29.855 0.027 . 1 . 660 . A 81 ARG CB . 34073 1 770 . 1 1 67 67 ARG CG C 13 27.357 0.105 . 1 . 663 . A 81 ARG CG . 34073 1 771 . 1 1 67 67 ARG CD C 13 43.341 0.008 . 1 . 666 . A 81 ARG CD . 34073 1 772 . 1 1 67 67 ARG N N 15 119.266 0.066 . 1 . 656 . A 81 ARG N . 34073 1 773 . 1 1 68 68 ILE H H 1 7.719 0.020 . 1 . 669 . A 82 ILE H . 34073 1 774 . 1 1 68 68 ILE HA H 1 3.778 0.020 . 1 . 671 . A 82 ILE HA . 34073 1 775 . 1 1 68 68 ILE HB H 1 1.935 0.020 . 1 . 673 . A 82 ILE HB . 34073 1 776 . 1 1 68 68 ILE HG12 H 1 1.059 0.020 . 2 . 677 . A 82 ILE HG12 . 34073 1 777 . 1 1 68 68 ILE HG13 H 1 1.890 0.020 . 2 . 678 . A 82 ILE HG13 . 34073 1 778 . 1 1 68 68 ILE HG21 H 1 0.805 0.003 . 1 . 674 . A 82 ILE HG21 . 34073 1 779 . 1 1 68 68 ILE HG22 H 1 0.805 0.003 . 1 . 674 . A 82 ILE HG22 . 34073 1 780 . 1 1 68 68 ILE HG23 H 1 0.805 0.003 . 1 . 674 . A 82 ILE HG23 . 34073 1 781 . 1 1 68 68 ILE HD11 H 1 0.770 0.020 . 1 . 679 . A 82 ILE HD11 . 34073 1 782 . 1 1 68 68 ILE HD12 H 1 0.770 0.020 . 1 . 679 . A 82 ILE HD12 . 34073 1 783 . 1 1 68 68 ILE HD13 H 1 0.770 0.020 . 1 . 679 . A 82 ILE HD13 . 34073 1 784 . 1 1 68 68 ILE CA C 13 64.578 0.049 . 1 . 670 . A 82 ILE CA . 34073 1 785 . 1 1 68 68 ILE CB C 13 38.663 0.021 . 1 . 672 . A 82 ILE CB . 34073 1 786 . 1 1 68 68 ILE CG1 C 13 29.316 0.047 . 1 . 676 . A 82 ILE CG1 . 34073 1 787 . 1 1 68 68 ILE CG2 C 13 18.187 0.018 . 1 . 675 . A 82 ILE CG2 . 34073 1 788 . 1 1 68 68 ILE CD1 C 13 14.424 0.049 . 1 . 680 . A 82 ILE CD1 . 34073 1 789 . 1 1 68 68 ILE N N 15 120.733 0.075 . 1 . 668 . A 82 ILE N . 34073 1 790 . 1 1 69 69 LEU H H 1 7.472 0.002 . 1 . 682 . A 83 LEU H . 34073 1 791 . 1 1 69 69 LEU HA H 1 4.148 0.020 . 1 . 684 . A 83 LEU HA . 34073 1 792 . 1 1 69 69 LEU HB2 H 1 1.742 0.020 . 2 . 686 . A 83 LEU HB2 . 34073 1 793 . 1 1 69 69 LEU HB3 H 1 1.652 0.001 . 2 . 687 . A 83 LEU HB3 . 34073 1 794 . 1 1 69 69 LEU HG H 1 1.617 0.020 . 1 . 689 . A 83 LEU HG . 34073 1 795 . 1 1 69 69 LEU HD11 H 1 0.714 0.002 . 2 . 690 . A 83 LEU HD11 . 34073 1 796 . 1 1 69 69 LEU HD12 H 1 0.714 0.002 . 2 . 690 . A 83 LEU HD12 . 34073 1 797 . 1 1 69 69 LEU HD13 H 1 0.714 0.002 . 2 . 690 . A 83 LEU HD13 . 34073 1 798 . 1 1 69 69 LEU HD21 H 1 0.576 0.020 . 2 . 691 . A 83 LEU HD21 . 34073 1 799 . 1 1 69 69 LEU HD22 H 1 0.576 0.020 . 2 . 691 . A 83 LEU HD22 . 34073 1 800 . 1 1 69 69 LEU HD23 H 1 0.576 0.020 . 2 . 691 . A 83 LEU HD23 . 34073 1 801 . 1 1 69 69 LEU CA C 13 55.434 0.035 . 1 . 683 . A 83 LEU CA . 34073 1 802 . 1 1 69 69 LEU CB C 13 42.519 0.143 . 1 . 685 . A 83 LEU CB . 34073 1 803 . 1 1 69 69 LEU CG C 13 26.125 0.048 . 1 . 688 . A 83 LEU CG . 34073 1 804 . 1 1 69 69 LEU CD1 C 13 25.844 0.072 . 2 . 692 . A 83 LEU CD1 . 34073 1 805 . 1 1 69 69 LEU CD2 C 13 22.988 0.054 . 2 . 693 . A 83 LEU CD2 . 34073 1 806 . 1 1 69 69 LEU N N 15 118.225 0.090 . 1 . 681 . A 83 LEU N . 34073 1 807 . 1 1 70 70 SER H H 1 7.495 0.011 . 1 . 695 . A 84 SER H . 34073 1 808 . 1 1 70 70 SER HA H 1 4.201 0.020 . 1 . 697 . A 84 SER HA . 34073 1 809 . 1 1 70 70 SER HB2 H 1 3.959 0.020 . 1 . 725 . A 84 SER HB2 . 34073 1 810 . 1 1 70 70 SER HB3 H 1 3.959 0.020 . 1 . 699 . A 84 SER HB3 . 34073 1 811 . 1 1 70 70 SER CA C 13 60.976 0.037 . 1 . 696 . A 84 SER CA . 34073 1 812 . 1 1 70 70 SER CB C 13 64.838 0.043 . 1 . 698 . A 84 SER CB . 34073 1 813 . 1 1 70 70 SER N N 15 120.311 0.016 . 1 . 694 . A 84 SER N . 34073 1 stop_ save_