data_50330 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50330 _Entry.Title ; Ubkeks ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-17 _Entry.Accession_date 2020-06-17 _Entry.Last_release_date 2020-06-17 _Entry.Original_release_date 2020-06-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Patrick Delattre . . . . 50330 2 Danny Letourneau . . . . 50330 3 Pierre Lavigne . . . . 50330 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Universite de Sherbrooke' . 50330 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50330 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 50330 '15N chemical shifts' 75 50330 '1H chemical shifts' 529 50330 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 . . 2021-05-14 . original BMRB . 50330 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50330 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and dynamic characterization of UbKEKS, a newly indentified ubiquitin encoded in a pseudogene ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _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 Patrick Delattre . . . . 50330 1 2 Danny Letourneau . . . . 50330 1 3 Pierre Lavigne . . . . 50330 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50330 _Assembly.ID 1 _Assembly.Name UbKEKS _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 Ubkeks 1 $entity_1 . . yes native no no . . . 50330 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'post-translational modification' 50330 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50330 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKIFVKTLTGKTITLEVEPS DTIENVKAKIQDEEGIPPDQ QRLIFAGKKLEDGRTLSDYS IQKESTLHLVLRLRGG ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Ubiquitin like post-translational modification' 50330 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50330 1 2 . LYS . 50330 1 3 . ILE . 50330 1 4 . PHE . 50330 1 5 . VAL . 50330 1 6 . LYS . 50330 1 7 . THR . 50330 1 8 . LEU . 50330 1 9 . THR . 50330 1 10 . GLY . 50330 1 11 . LYS . 50330 1 12 . THR . 50330 1 13 . ILE . 50330 1 14 . THR . 50330 1 15 . LEU . 50330 1 16 . GLU . 50330 1 17 . VAL . 50330 1 18 . GLU . 50330 1 19 . PRO . 50330 1 20 . SER . 50330 1 21 . ASP . 50330 1 22 . THR . 50330 1 23 . ILE . 50330 1 24 . GLU . 50330 1 25 . ASN . 50330 1 26 . VAL . 50330 1 27 . LYS . 50330 1 28 . ALA . 50330 1 29 . LYS . 50330 1 30 . ILE . 50330 1 31 . GLN . 50330 1 32 . ASP . 50330 1 33 . GLU . 50330 1 34 . GLU . 50330 1 35 . GLY . 50330 1 36 . ILE . 50330 1 37 . PRO . 50330 1 38 . PRO . 50330 1 39 . ASP . 50330 1 40 . GLN . 50330 1 41 . GLN . 50330 1 42 . ARG . 50330 1 43 . LEU . 50330 1 44 . ILE . 50330 1 45 . PHE . 50330 1 46 . ALA . 50330 1 47 . GLY . 50330 1 48 . LYS . 50330 1 49 . LYS . 50330 1 50 . LEU . 50330 1 51 . GLU . 50330 1 52 . ASP . 50330 1 53 . GLY . 50330 1 54 . ARG . 50330 1 55 . THR . 50330 1 56 . LEU . 50330 1 57 . SER . 50330 1 58 . ASP . 50330 1 59 . TYR . 50330 1 60 . SER . 50330 1 61 . ILE . 50330 1 62 . GLN . 50330 1 63 . LYS . 50330 1 64 . GLU . 50330 1 65 . SER . 50330 1 66 . THR . 50330 1 67 . LEU . 50330 1 68 . HIS . 50330 1 69 . LEU . 50330 1 70 . VAL . 50330 1 71 . LEU . 50330 1 72 . ARG . 50330 1 73 . LEU . 50330 1 74 . ARG . 50330 1 75 . GLY . 50330 1 76 . GLY . 50330 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50330 1 . LYS 2 2 50330 1 . ILE 3 3 50330 1 . PHE 4 4 50330 1 . VAL 5 5 50330 1 . LYS 6 6 50330 1 . THR 7 7 50330 1 . LEU 8 8 50330 1 . THR 9 9 50330 1 . GLY 10 10 50330 1 . LYS 11 11 50330 1 . THR 12 12 50330 1 . ILE 13 13 50330 1 . THR 14 14 50330 1 . LEU 15 15 50330 1 . GLU 16 16 50330 1 . VAL 17 17 50330 1 . GLU 18 18 50330 1 . PRO 19 19 50330 1 . SER 20 20 50330 1 . ASP 21 21 50330 1 . THR 22 22 50330 1 . ILE 23 23 50330 1 . GLU 24 24 50330 1 . ASN 25 25 50330 1 . VAL 26 26 50330 1 . LYS 27 27 50330 1 . ALA 28 28 50330 1 . LYS 29 29 50330 1 . ILE 30 30 50330 1 . GLN 31 31 50330 1 . ASP 32 32 50330 1 . GLU 33 33 50330 1 . GLU 34 34 50330 1 . GLY 35 35 50330 1 . ILE 36 36 50330 1 . PRO 37 37 50330 1 . PRO 38 38 50330 1 . ASP 39 39 50330 1 . GLN 40 40 50330 1 . GLN 41 41 50330 1 . ARG 42 42 50330 1 . LEU 43 43 50330 1 . ILE 44 44 50330 1 . PHE 45 45 50330 1 . ALA 46 46 50330 1 . GLY 47 47 50330 1 . LYS 48 48 50330 1 . LYS 49 49 50330 1 . LEU 50 50 50330 1 . GLU 51 51 50330 1 . ASP 52 52 50330 1 . GLY 53 53 50330 1 . ARG 54 54 50330 1 . THR 55 55 50330 1 . LEU 56 56 50330 1 . SER 57 57 50330 1 . ASP 58 58 50330 1 . TYR 59 59 50330 1 . SER 60 60 50330 1 . ILE 61 61 50330 1 . GLN 62 62 50330 1 . LYS 63 63 50330 1 . GLU 64 64 50330 1 . SER 65 65 50330 1 . THR 66 66 50330 1 . LEU 67 67 50330 1 . HIS 68 68 50330 1 . LEU 69 69 50330 1 . VAL 70 70 50330 1 . LEU 71 71 50330 1 . ARG 72 72 50330 1 . LEU 73 73 50330 1 . ARG 74 74 50330 1 . GLY 75 75 50330 1 . GLY 76 76 50330 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 50330 _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 . . . . . . . . . . . . . 50330 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 50330 _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 . . pET28A . . . 50330 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50330 _Sample.ID 1 _Sample.Name UbKEKS _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM sodium phosphate, 50 mM NaCl, pH 7.4' _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 UbKEKS '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 450 400 500 uM . . . . 50330 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 50330 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 50330 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50330 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50330 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 50330 1 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50330 _Sample.ID 2 _Sample.Name 'UbKEKS 100% D2O' _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM sodium phosphate, 50 mM NaCl, pH 7.4' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 UbKEKS '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 450 400 500 uM . . . . 50330 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 50330 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50330 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50330 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 50330 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 50330 _Sample_condition_list.ID 1 _Sample_condition_list.Name Standard _Sample_condition_list.Details 'Standard NMR buffer used in our research group' 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' 100 . mM 50330 1 pH 7.4 . pH 50330 1 pressure 1 . atm 50330 1 temperature 298 . K 50330 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 50330 _Sample_condition_list.ID 2 _Sample_condition_list.Name '100% D2O' _Sample_condition_list.Details 'NMR buffer used for some 3D 13C experiments' 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' 100 . mM 50330 2 pH 7.4 . pH 50330 2 pressure 1 . atm 50330 2 temperature 298 . K 50330 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50330 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50330 1 'peak picking' . 50330 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50330 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50330 2 processing . 50330 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50330 _Software.ID 3 _Software.Type . _Software.Name ARIA _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 50330 3 'structure solution' . 50330 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 50330 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 50330 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50330 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50330 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50330 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50330 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50330 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50330 1 7 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50330 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50330 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50330 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 50330 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name UbKEKS _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 water protons . . . . ppm 4.7 internal direct . . . . . . 50330 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50330 1 N 15 water protons . . . . ppm 4.7 internal direct . . . . . . 50330 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 50330 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name UbKEKS _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' . . . 50330 1 2 '2D 1H-13C HSQC' . . . 50330 1 4 '3D CBCA(CO)NH' . . . 50330 1 5 '3D HNCO' . . . 50330 1 6 '3D HNCACB' . . . 50330 1 7 '3D C(CO)NH' . . . 50330 1 8 '3D HCCH-TOCSY' . . . 50330 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50330 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.084 0.019 . 1 . . 677 . . 1 MET HA . 50330 1 2 . 1 . 1 1 1 MET HB2 H 1 1.960 0.03 . 1 . . 680 . . 1 MET HB2 . 50330 1 3 . 1 . 1 1 1 MET HB3 H 1 1.960 0.03 . 1 . . 681 . . 1 MET HB3 . 50330 1 4 . 1 . 1 1 1 MET HG2 H 1 2.453 0.031 . 2 . . 678 . . 1 MET HG2 . 50330 1 5 . 1 . 1 1 1 MET HG3 H 1 2.453 0.031 . 2 . . 679 . . 1 MET HG3 . 50330 1 6 . 1 . 1 1 1 MET HE1 H 1 1.282 0.008 . 1 . . 682 . . 1 MET HE1 . 50330 1 7 . 1 . 1 1 1 MET HE2 H 1 1.282 0.008 . 1 . . 682 . . 1 MET HE2 . 50330 1 8 . 1 . 1 1 1 MET HE3 H 1 1.282 0.008 . 1 . . 682 . . 1 MET HE3 . 50330 1 9 . 1 . 1 1 1 MET C C 13 170.521 . . 1 . . 740 . . 1 MET C . 50330 1 10 . 1 . 1 1 1 MET CA C 13 54.373 0.094 . 1 . . 736 . . 1 MET CA . 50330 1 11 . 1 . 1 1 1 MET CB C 13 33.246 0.144 . 1 . . 737 . . 1 MET CB . 50330 1 12 . 1 . 1 1 1 MET CG C 13 30.772 . . 1 . . 738 . . 1 MET CG . 50330 1 13 . 1 . 1 1 1 MET CE C 13 17.506 . . 1 . . 739 . . 1 MET CE . 50330 1 14 . 1 . 1 2 2 LYS H H 1 8.755 0.004 . 1 . . 81 . . 2 LYS H . 50330 1 15 . 1 . 1 2 2 LYS HA H 1 5.089 0.016 . 1 . . 299 . . 2 LYS HA . 50330 1 16 . 1 . 1 2 2 LYS HB2 H 1 1.233 0.01 . 1 . . 304 . . 2 LYS HB2 . 50330 1 17 . 1 . 1 2 2 LYS HB3 H 1 1.233 0.01 . 1 . . 305 . . 2 LYS HB3 . 50330 1 18 . 1 . 1 2 2 LYS HG2 H 1 0.983 0.009 . 2 . . 605 . . 2 LYS HG2 . 50330 1 19 . 1 . 1 2 2 LYS HG3 H 1 0.983 0.009 . 2 . . 606 . . 2 LYS HG3 . 50330 1 20 . 1 . 1 2 2 LYS HD2 H 1 1.515 0.018 . 2 . . 302 . . 2 LYS HD2 . 50330 1 21 . 1 . 1 2 2 LYS HD3 H 1 1.515 0.018 . 2 . . 303 . . 2 LYS HD3 . 50330 1 22 . 1 . 1 2 2 LYS HE2 H 1 2.861 0.015 . 2 . . 300 . . 2 LYS HE2 . 50330 1 23 . 1 . 1 2 2 LYS HE3 H 1 2.861 0.015 . 2 . . 301 . . 2 LYS HE3 . 50330 1 24 . 1 . 1 2 2 LYS C C 13 176.520 . . 1 . . 146 . . 2 LYS C . 50330 1 25 . 1 . 1 2 2 LYS CA C 13 55.095 0.071 . 1 . . 140 . . 2 LYS CA . 50330 1 26 . 1 . 1 2 2 LYS CB C 13 33.682 0.033 . 1 . . 142 . . 2 LYS CB . 50330 1 27 . 1 . 1 2 2 LYS CG C 13 24.916 0.044 . 1 . . 145 . . 2 LYS CG . 50330 1 28 . 1 . 1 2 2 LYS CD C 13 29.009 0.049 . 1 . . 144 . . 2 LYS CD . 50330 1 29 . 1 . 1 2 2 LYS CE C 13 41.648 0.122 . 1 . . 143 . . 2 LYS CE . 50330 1 30 . 1 . 1 2 2 LYS N N 15 124.276 0.047 . 1 . . 82 . . 2 LYS N . 50330 1 31 . 1 . 1 3 3 ILE H H 1 8.320 0.006 . 1 . . 11 . . 3 ILE H . 50330 1 32 . 1 . 1 3 3 ILE HA H 1 4.061 0.011 . 1 . . 306 . . 3 ILE HA . 50330 1 33 . 1 . 1 3 3 ILE HB H 1 1.640 0.016 . 1 . . 607 . . 3 ILE HB . 50330 1 34 . 1 . 1 3 3 ILE HG12 H 1 0.952 0.018 . 2 . . 608 . . 3 ILE HG12 . 50330 1 35 . 1 . 1 3 3 ILE HG13 H 1 0.804 0.034 . 2 . . 609 . . 3 ILE HG13 . 50330 1 36 . 1 . 1 3 3 ILE HG21 H 1 0.553 0.015 . 1 . . 610 . . 3 ILE HG21 . 50330 1 37 . 1 . 1 3 3 ILE HG22 H 1 0.553 0.015 . 1 . . 610 . . 3 ILE HG22 . 50330 1 38 . 1 . 1 3 3 ILE HG23 H 1 0.553 0.015 . 1 . . 610 . . 3 ILE HG23 . 50330 1 39 . 1 . 1 3 3 ILE HD11 H 1 0.518 0.019 . 1 . . 611 . . 3 ILE HD11 . 50330 1 40 . 1 . 1 3 3 ILE HD12 H 1 0.518 0.019 . 1 . . 611 . . 3 ILE HD12 . 50330 1 41 . 1 . 1 3 3 ILE HD13 H 1 0.518 0.019 . 1 . . 611 . . 3 ILE HD13 . 50330 1 42 . 1 . 1 3 3 ILE C C 13 172.229 . . 1 . . 151 . . 3 ILE C . 50330 1 43 . 1 . 1 3 3 ILE CA C 13 59.499 0.046 . 1 . . 139 . . 3 ILE CA . 50330 1 44 . 1 . 1 3 3 ILE CB C 13 42.264 0.063 . 1 . . 141 . . 3 ILE CB . 50330 1 45 . 1 . 1 3 3 ILE CG1 C 13 25.054 . . 1 . . 149 . . 3 ILE CG1 . 50330 1 46 . 1 . 1 3 3 ILE CG2 C 13 17.875 0.004 . 1 . . 150 . . 3 ILE CG2 . 50330 1 47 . 1 . 1 3 3 ILE CD1 C 13 14.140 0.008 . 1 . . 371 . . 3 ILE CD1 . 50330 1 48 . 1 . 1 3 3 ILE N N 15 115.578 0.024 . 1 . . 12 . . 3 ILE N . 50330 1 49 . 1 . 1 4 4 PHE H H 1 8.497 0.012 . 1 . . 127 . . 4 PHE H . 50330 1 50 . 1 . 1 4 4 PHE HA H 1 5.617 0.013 . 1 . . 307 . . 4 PHE HA . 50330 1 51 . 1 . 1 4 4 PHE HB2 H 1 2.958 0.012 . 2 . . 612 . . 4 PHE HB2 . 50330 1 52 . 1 . 1 4 4 PHE HB3 H 1 2.807 0.024 . 2 . . 613 . . 4 PHE HB3 . 50330 1 53 . 1 . 1 4 4 PHE C C 13 175.111 . . 1 . . 154 . . 4 PHE C . 50330 1 54 . 1 . 1 4 4 PHE CA C 13 54.873 0.073 . 1 . . 147 . . 4 PHE CA . 50330 1 55 . 1 . 1 4 4 PHE CB C 13 41.134 0.033 . 1 . . 148 . . 4 PHE CB . 50330 1 56 . 1 . 1 4 4 PHE N N 15 118.799 0.074 . 1 . . 128 . . 4 PHE N . 50330 1 57 . 1 . 1 5 5 VAL H H 1 9.268 0.004 . 1 . . 91 . . 5 VAL H . 50330 1 58 . 1 . 1 5 5 VAL HA H 1 4.752 0.01 . 1 . . 308 . . 5 VAL HA . 50330 1 59 . 1 . 1 5 5 VAL HB H 1 1.817 0.017 . 1 . . 309 . . 5 VAL HB . 50330 1 60 . 1 . 1 5 5 VAL HG11 H 1 0.623 0.015 . 2 . . 761 . . 5 VAL HG11 . 50330 1 61 . 1 . 1 5 5 VAL HG12 H 1 0.623 0.015 . 2 . . 761 . . 5 VAL HG12 . 50330 1 62 . 1 . 1 5 5 VAL HG13 H 1 0.623 0.015 . 2 . . 761 . . 5 VAL HG13 . 50330 1 63 . 1 . 1 5 5 VAL HG21 H 1 0.649 0.02 . 2 . . 762 . . 5 VAL HG21 . 50330 1 64 . 1 . 1 5 5 VAL HG22 H 1 0.649 0.02 . 2 . . 762 . . 5 VAL HG22 . 50330 1 65 . 1 . 1 5 5 VAL HG23 H 1 0.649 0.02 . 2 . . 762 . . 5 VAL HG23 . 50330 1 66 . 1 . 1 5 5 VAL C C 13 174.761 . . 1 . . 159 . . 5 VAL C . 50330 1 67 . 1 . 1 5 5 VAL CA C 13 60.264 0.05 . 1 . . 152 . . 5 VAL CA . 50330 1 68 . 1 . 1 5 5 VAL CB C 13 34.280 0.131 . 1 . . 153 . . 5 VAL CB . 50330 1 69 . 1 . 1 5 5 VAL CG1 C 13 22.058 0.017 . 2 . . 157 . . 5 VAL CG1 . 50330 1 70 . 1 . 1 5 5 VAL CG2 C 13 20.701 0.012 . 2 . . 158 . . 5 VAL CG2 . 50330 1 71 . 1 . 1 5 5 VAL N N 15 121.428 0.03 . 1 . . 92 . . 5 VAL N . 50330 1 72 . 1 . 1 6 6 LYS H H 1 8.907 0.004 . 1 . . 7 . . 6 LYS H . 50330 1 73 . 1 . 1 6 6 LYS HA H 1 5.167 0.017 . 1 . . 310 . . 6 LYS HA . 50330 1 74 . 1 . 1 6 6 LYS HB2 H 1 1.618 0.025 . 2 . . 614 . . 6 LYS HB2 . 50330 1 75 . 1 . 1 6 6 LYS HB3 H 1 1.617 0.025 . 2 . . 615 . . 6 LYS HB3 . 50330 1 76 . 1 . 1 6 6 LYS HG2 H 1 1.254 0.047 . 2 . . 618 . . 6 LYS HG2 . 50330 1 77 . 1 . 1 6 6 LYS HG3 H 1 1.253 0.048 . 2 . . 619 . . 6 LYS HG3 . 50330 1 78 . 1 . 1 6 6 LYS HD2 H 1 1.355 0.048 . 1 . . 616 . . 6 LYS HD2 . 50330 1 79 . 1 . 1 6 6 LYS HD3 H 1 1.355 0.048 . 1 . . 617 . . 6 LYS HD3 . 50330 1 80 . 1 . 1 6 6 LYS HE2 H 1 2.833 0.019 . 2 . . 620 . . 6 LYS HE2 . 50330 1 81 . 1 . 1 6 6 LYS HE3 H 1 2.833 0.019 . 2 . . 621 . . 6 LYS HE3 . 50330 1 82 . 1 . 1 6 6 LYS C C 13 177.004 . . 1 . . 165 . . 6 LYS C . 50330 1 83 . 1 . 1 6 6 LYS CA C 13 54.548 0.048 . 1 . . 155 . . 6 LYS CA . 50330 1 84 . 1 . 1 6 6 LYS CB C 13 33.988 0.115 . 1 . . 156 . . 6 LYS CB . 50330 1 85 . 1 . 1 6 6 LYS CG C 13 24.902 0.032 . 1 . . 163 . . 6 LYS CG . 50330 1 86 . 1 . 1 6 6 LYS CD C 13 29.074 . . 1 . . 162 . . 6 LYS CD . 50330 1 87 . 1 . 1 6 6 LYS CE C 13 41.947 0.023 . 1 . . 164 . . 6 LYS CE . 50330 1 88 . 1 . 1 6 6 LYS N N 15 128.073 0.018 . 1 . . 8 . . 6 LYS N . 50330 1 89 . 1 . 1 7 7 THR H H 1 8.680 0.005 . 1 . . 107 . . 7 THR H . 50330 1 90 . 1 . 1 7 7 THR HA H 1 4.870 0.006 . 1 . . 460 . . 7 THR HA . 50330 1 91 . 1 . 1 7 7 THR HB H 1 4.724 0.01 . 1 . . 603 . . 7 THR HB . 50330 1 92 . 1 . 1 7 7 THR HG21 H 1 1.100 0.011 . 1 . . 741 . . 7 THR HG21 . 50330 1 93 . 1 . 1 7 7 THR HG22 H 1 1.100 0.011 . 1 . . 741 . . 7 THR HG22 . 50330 1 94 . 1 . 1 7 7 THR HG23 H 1 1.100 0.011 . 1 . . 741 . . 7 THR HG23 . 50330 1 95 . 1 . 1 7 7 THR C C 13 176.802 . . 1 . . 169 . . 7 THR C . 50330 1 96 . 1 . 1 7 7 THR CA C 13 60.434 0.061 . 1 . . 160 . . 7 THR CA . 50330 1 97 . 1 . 1 7 7 THR CB C 13 70.374 0.075 . 1 . . 161 . . 7 THR CB . 50330 1 98 . 1 . 1 7 7 THR CG2 C 13 21.355 0.042 . 1 . . 168 . . 7 THR CG2 . 50330 1 99 . 1 . 1 7 7 THR N N 15 115.587 0.023 . 1 . . 108 . . 7 THR N . 50330 1 100 . 1 . 1 8 8 LEU H H 1 9.085 0.011 . 1 . . 69 . . 8 LEU H . 50330 1 101 . 1 . 1 8 8 LEU HA H 1 4.249 0.01 . 1 . . 461 . . 8 LEU HA . 50330 1 102 . 1 . 1 8 8 LEU HB2 H 1 1.830 0.058 . 2 . . 462 . . 8 LEU HB2 . 50330 1 103 . 1 . 1 8 8 LEU HB3 H 1 1.830 0.058 . 2 . . 463 . . 8 LEU HB3 . 50330 1 104 . 1 . 1 8 8 LEU CA C 13 57.585 0.145 . 1 . . 166 . . 8 LEU CA . 50330 1 105 . 1 . 1 8 8 LEU CB C 13 41.897 0.061 . 1 . . 167 . . 8 LEU CB . 50330 1 106 . 1 . 1 8 8 LEU N N 15 121.332 0.038 . 1 . . 70 . . 8 LEU N . 50330 1 107 . 1 . 1 9 9 THR H H 1 7.587 0.009 . 1 . . 458 . . 9 THR H . 50330 1 108 . 1 . 1 9 9 THR HA H 1 4.322 0.012 . 1 . . 734 . . 9 THR HA . 50330 1 109 . 1 . 1 9 9 THR HB H 1 4.503 0.008 . 1 . . 735 . . 9 THR HB . 50330 1 110 . 1 . 1 9 9 THR HG21 H 1 1.178 0.006 . 1 . . 733 . . 9 THR HG21 . 50330 1 111 . 1 . 1 9 9 THR HG22 H 1 1.178 0.006 . 1 . . 733 . . 9 THR HG22 . 50330 1 112 . 1 . 1 9 9 THR HG23 H 1 1.178 0.006 . 1 . . 733 . . 9 THR HG23 . 50330 1 113 . 1 . 1 9 9 THR C C 13 175.423 . . 1 . . 174 . . 9 THR C . 50330 1 114 . 1 . 1 9 9 THR CA C 13 61.304 0.088 . 1 . . 172 . . 9 THR CA . 50330 1 115 . 1 . 1 9 9 THR CB C 13 68.946 0.065 . 1 . . 171 . . 9 THR CB . 50330 1 116 . 1 . 1 9 9 THR CG2 C 13 21.793 0.014 . 1 . . 173 . . 9 THR CG2 . 50330 1 117 . 1 . 1 9 9 THR N N 15 105.987 0.007 . 1 . . 459 . . 9 THR N . 50330 1 118 . 1 . 1 10 10 GLY H H 1 7.759 0.004 . 1 . . 109 . . 10 GLY H . 50330 1 119 . 1 . 1 10 10 GLY HA2 H 1 4.268 0.011 . 2 . . 464 . . 10 GLY HA2 . 50330 1 120 . 1 . 1 10 10 GLY HA3 H 1 3.521 0.024 . 2 . . 465 . . 10 GLY HA3 . 50330 1 121 . 1 . 1 10 10 GLY C C 13 173.854 . . 1 . . 177 . . 10 GLY C . 50330 1 122 . 1 . 1 10 10 GLY CA C 13 45.166 0.056 . 1 . . 170 . . 10 GLY CA . 50330 1 123 . 1 . 1 10 10 GLY N N 15 109.318 0.033 . 1 . . 110 . . 10 GLY N . 50330 1 124 . 1 . 1 11 11 LYS H H 1 7.206 0.004 . 1 . . 27 . . 11 LYS H . 50330 1 125 . 1 . 1 11 11 LYS HA H 1 4.258 0.01 . 1 . . 588 . . 11 LYS HA . 50330 1 126 . 1 . 1 11 11 LYS HB2 H 1 1.654 0.015 . 2 . . 589 . . 11 LYS HB2 . 50330 1 127 . 1 . 1 11 11 LYS HB3 H 1 1.655 0.015 . 2 . . 590 . . 11 LYS HB3 . 50330 1 128 . 1 . 1 11 11 LYS HG2 H 1 1.355 0.01 . 2 . . 591 . . 11 LYS HG2 . 50330 1 129 . 1 . 1 11 11 LYS HG3 H 1 1.166 0.017 . 2 . . 624 . . 11 LYS HG3 . 50330 1 130 . 1 . 1 11 11 LYS HD2 H 1 1.555 0.005 . 2 . . 752 . . 11 LYS HD2 . 50330 1 131 . 1 . 1 11 11 LYS HD3 H 1 1.555 0.005 . 2 . . 753 . . 11 LYS HD3 . 50330 1 132 . 1 . 1 11 11 LYS HE2 H 1 2.815 0.037 . 1 . . 622 . . 11 LYS HE2 . 50330 1 133 . 1 . 1 11 11 LYS HE3 H 1 2.815 0.037 . 1 . . 623 . . 11 LYS HE3 . 50330 1 134 . 1 . 1 11 11 LYS C C 13 175.655 . . 1 . . 183 . . 11 LYS C . 50330 1 135 . 1 . 1 11 11 LYS CA C 13 56.137 0.067 . 1 . . 175 . . 11 LYS CA . 50330 1 136 . 1 . 1 11 11 LYS CB C 13 33.471 0.023 . 1 . . 176 . . 11 LYS CB . 50330 1 137 . 1 . 1 11 11 LYS CG C 13 24.950 0.037 . 1 . . 181 . . 11 LYS CG . 50330 1 138 . 1 . 1 11 11 LYS CD C 13 29.528 0.058 . 1 . . 180 . . 11 LYS CD . 50330 1 139 . 1 . 1 11 11 LYS CE C 13 41.998 0.036 . 1 . . 182 . . 11 LYS CE . 50330 1 140 . 1 . 1 11 11 LYS N N 15 122.159 0.042 . 1 . . 28 . . 11 LYS N . 50330 1 141 . 1 . 1 12 12 THR H H 1 8.572 0.003 . 1 . . 35 . . 12 THR H . 50330 1 142 . 1 . 1 12 12 THR HA H 1 4.960 0.028 . 1 . . 625 . . 12 THR HA . 50330 1 143 . 1 . 1 12 12 THR HB H 1 3.888 0.04 . 1 . . 466 . . 12 THR HB . 50330 1 144 . 1 . 1 12 12 THR HG21 H 1 0.991 0.009 . 1 . . 467 . . 12 THR HG21 . 50330 1 145 . 1 . 1 12 12 THR HG22 H 1 0.991 0.009 . 1 . . 467 . . 12 THR HG22 . 50330 1 146 . 1 . 1 12 12 THR HG23 H 1 0.991 0.009 . 1 . . 467 . . 12 THR HG23 . 50330 1 147 . 1 . 1 12 12 THR C C 13 174.249 . . 1 . . 187 . . 12 THR C . 50330 1 148 . 1 . 1 12 12 THR CA C 13 62.223 0.07 . 1 . . 178 . . 12 THR CA . 50330 1 149 . 1 . 1 12 12 THR CB C 13 69.609 0.046 . 1 . . 179 . . 12 THR CB . 50330 1 150 . 1 . 1 12 12 THR CG2 C 13 21.966 0.005 . 1 . . 186 . . 12 THR CG2 . 50330 1 151 . 1 . 1 12 12 THR N N 15 120.931 0.033 . 1 . . 36 . . 12 THR N . 50330 1 152 . 1 . 1 13 13 ILE H H 1 9.541 0.004 . 1 . . 19 . . 13 ILE H . 50330 1 153 . 1 . 1 13 13 ILE HA H 1 4.375 0.008 . 1 . . 468 . . 13 ILE HA . 50330 1 154 . 1 . 1 13 13 ILE HB H 1 1.801 0.024 . 1 . . 469 . . 13 ILE HB . 50330 1 155 . 1 . 1 13 13 ILE HG12 H 1 1.058 0.017 . 2 . . 626 . . 13 ILE HG12 . 50330 1 156 . 1 . 1 13 13 ILE HG13 H 1 1.380 0.012 . 2 . . 742 . . 13 ILE HG13 . 50330 1 157 . 1 . 1 13 13 ILE HG21 H 1 0.834 0.028 . 1 . . 751 . . 13 ILE HG21 . 50330 1 158 . 1 . 1 13 13 ILE HG22 H 1 0.834 0.028 . 1 . . 751 . . 13 ILE HG22 . 50330 1 159 . 1 . 1 13 13 ILE HG23 H 1 0.834 0.028 . 1 . . 751 . . 13 ILE HG23 . 50330 1 160 . 1 . 1 13 13 ILE HD11 H 1 0.668 0.014 . 1 . . 604 . . 13 ILE HD11 . 50330 1 161 . 1 . 1 13 13 ILE HD12 H 1 0.668 0.014 . 1 . . 604 . . 13 ILE HD12 . 50330 1 162 . 1 . 1 13 13 ILE HD13 H 1 0.668 0.014 . 1 . . 604 . . 13 ILE HD13 . 50330 1 163 . 1 . 1 13 13 ILE C C 13 175.225 . . 1 . . 193 . . 13 ILE C . 50330 1 164 . 1 . 1 13 13 ILE CA C 13 60.186 0.065 . 1 . . 184 . . 13 ILE CA . 50330 1 165 . 1 . 1 13 13 ILE CB C 13 40.517 0.052 . 1 . . 185 . . 13 ILE CB . 50330 1 166 . 1 . 1 13 13 ILE CG1 C 13 27.040 0.027 . 1 . . 190 . . 13 ILE CG1 . 50330 1 167 . 1 . 1 13 13 ILE CG2 C 13 17.602 0.014 . 1 . . 191 . . 13 ILE CG2 . 50330 1 168 . 1 . 1 13 13 ILE CD1 C 13 14.354 0.038 . 1 . . 192 . . 13 ILE CD1 . 50330 1 169 . 1 . 1 13 13 ILE N N 15 128.831 0.04 . 1 . . 20 . . 13 ILE N . 50330 1 170 . 1 . 1 14 14 THR H H 1 8.761 0.003 . 1 . . 39 . . 14 THR H . 50330 1 171 . 1 . 1 14 14 THR HA H 1 4.880 0.015 . 1 . . 470 . . 14 THR HA . 50330 1 172 . 1 . 1 14 14 THR HB H 1 3.965 0.011 . 1 . . 471 . . 14 THR HB . 50330 1 173 . 1 . 1 14 14 THR HG21 H 1 1.057 0.009 . 1 . . 472 . . 14 THR HG21 . 50330 1 174 . 1 . 1 14 14 THR HG22 H 1 1.057 0.009 . 1 . . 472 . . 14 THR HG22 . 50330 1 175 . 1 . 1 14 14 THR HG23 H 1 1.057 0.009 . 1 . . 472 . . 14 THR HG23 . 50330 1 176 . 1 . 1 14 14 THR C C 13 173.566 . . 1 . . 197 . . 14 THR C . 50330 1 177 . 1 . 1 14 14 THR CA C 13 62.353 0.072 . 1 . . 188 . . 14 THR CA . 50330 1 178 . 1 . 1 14 14 THR CB C 13 69.354 0.079 . 1 . . 189 . . 14 THR CB . 50330 1 179 . 1 . 1 14 14 THR CG2 C 13 21.452 0.033 . 1 . . 196 . . 14 THR CG2 . 50330 1 180 . 1 . 1 14 14 THR N N 15 123.017 0.03 . 1 . . 40 . . 14 THR N . 50330 1 181 . 1 . 1 15 15 LEU H H 1 8.716 0.009 . 1 . . 33 . . 15 LEU H . 50330 1 182 . 1 . 1 15 15 LEU HA H 1 4.665 0.015 . 1 . . 473 . . 15 LEU HA . 50330 1 183 . 1 . 1 15 15 LEU HB2 H 1 1.323 0.027 . 2 . . 474 . . 15 LEU HB2 . 50330 1 184 . 1 . 1 15 15 LEU HB3 H 1 1.104 0.014 . 2 . . 627 . . 15 LEU HB3 . 50330 1 185 . 1 . 1 15 15 LEU HG H 1 1.337 0.026 . 1 . . 756 . . 15 LEU HG . 50330 1 186 . 1 . 1 15 15 LEU HD11 H 1 0.654 0.024 . 2 . . 628 . . 15 LEU HD11 . 50330 1 187 . 1 . 1 15 15 LEU HD12 H 1 0.654 0.024 . 2 . . 628 . . 15 LEU HD12 . 50330 1 188 . 1 . 1 15 15 LEU HD13 H 1 0.654 0.024 . 2 . . 628 . . 15 LEU HD13 . 50330 1 189 . 1 . 1 15 15 LEU HD21 H 1 0.662 0.017 . 2 . . 629 . . 15 LEU HD21 . 50330 1 190 . 1 . 1 15 15 LEU HD22 H 1 0.662 0.017 . 2 . . 629 . . 15 LEU HD22 . 50330 1 191 . 1 . 1 15 15 LEU HD23 H 1 0.662 0.017 . 2 . . 629 . . 15 LEU HD23 . 50330 1 192 . 1 . 1 15 15 LEU C C 13 174.385 . . 1 . . 201 . . 15 LEU C . 50330 1 193 . 1 . 1 15 15 LEU CA C 13 52.632 0.046 . 1 . . 194 . . 15 LEU CA . 50330 1 194 . 1 . 1 15 15 LEU CB C 13 46.540 0.028 . 1 . . 195 . . 15 LEU CB . 50330 1 195 . 1 . 1 15 15 LEU CG C 13 27.040 0.002 . 1 . . 200 . . 15 LEU CG . 50330 1 196 . 1 . 1 15 15 LEU CD1 C 13 24.040 . . 1 . . 754 . . 15 LEU CD1 . 50330 1 197 . 1 . 1 15 15 LEU CD2 C 13 24.040 . . 1 . . 755 . . 15 LEU CD2 . 50330 1 198 . 1 . 1 15 15 LEU N N 15 126.039 0.027 . 1 . . 34 . . 15 LEU N . 50330 1 199 . 1 . 1 16 16 GLU H H 1 8.194 0.004 . 1 . . 5 . . 16 GLU H . 50330 1 200 . 1 . 1 16 16 GLU HA H 1 4.787 0.013 . 1 . . 475 . . 16 GLU HA . 50330 1 201 . 1 . 1 16 16 GLU HB2 H 1 1.687 0.013 . 2 . . 757 . . 16 GLU HB2 . 50330 1 202 . 1 . 1 16 16 GLU HB3 H 1 1.847 0.015 . 2 . . 758 . . 16 GLU HB3 . 50330 1 203 . 1 . 1 16 16 GLU HG2 H 1 1.932 0.017 . 2 . . 759 . . 16 GLU HG2 . 50330 1 204 . 1 . 1 16 16 GLU HG3 H 1 2.138 0.007 . 2 . . 760 . . 16 GLU HG3 . 50330 1 205 . 1 . 1 16 16 GLU C C 13 175.662 . . 1 . . 205 . . 16 GLU C . 50330 1 206 . 1 . 1 16 16 GLU CA C 13 54.779 0.036 . 1 . . 198 . . 16 GLU CA . 50330 1 207 . 1 . 1 16 16 GLU CB C 13 30.025 0.03 . 1 . . 199 . . 16 GLU CB . 50330 1 208 . 1 . 1 16 16 GLU CG C 13 35.558 0.037 . 1 . . 204 . . 16 GLU CG . 50330 1 209 . 1 . 1 16 16 GLU N N 15 122.654 0.039 . 1 . . 6 . . 16 GLU N . 50330 1 210 . 1 . 1 17 17 VAL H H 1 8.877 0.009 . 1 . . 37 . . 17 VAL H . 50330 1 211 . 1 . 1 17 17 VAL HA H 1 4.656 0.012 . 1 . . 476 . . 17 VAL HA . 50330 1 212 . 1 . 1 17 17 VAL HB H 1 2.257 0.015 . 1 . . 630 . . 17 VAL HB . 50330 1 213 . 1 . 1 17 17 VAL HG11 H 1 0.643 0.015 . 2 . . 631 . . 17 VAL HG11 . 50330 1 214 . 1 . 1 17 17 VAL HG12 H 1 0.643 0.015 . 2 . . 631 . . 17 VAL HG12 . 50330 1 215 . 1 . 1 17 17 VAL HG13 H 1 0.643 0.015 . 2 . . 631 . . 17 VAL HG13 . 50330 1 216 . 1 . 1 17 17 VAL HG21 H 1 0.368 0.012 . 2 . . 632 . . 17 VAL HG21 . 50330 1 217 . 1 . 1 17 17 VAL HG22 H 1 0.368 0.012 . 2 . . 632 . . 17 VAL HG22 . 50330 1 218 . 1 . 1 17 17 VAL HG23 H 1 0.368 0.012 . 2 . . 632 . . 17 VAL HG23 . 50330 1 219 . 1 . 1 17 17 VAL C C 13 174.102 . . 1 . . 210 . . 17 VAL C . 50330 1 220 . 1 . 1 17 17 VAL CA C 13 58.342 0.06 . 1 . . 202 . . 17 VAL CA . 50330 1 221 . 1 . 1 17 17 VAL CB C 13 36.153 0.089 . 1 . . 203 . . 17 VAL CB . 50330 1 222 . 1 . 1 17 17 VAL CG1 C 13 22.072 0.018 . 2 . . 208 . . 17 VAL CG1 . 50330 1 223 . 1 . 1 17 17 VAL CG2 C 13 19.448 0.011 . 2 . . 209 . . 17 VAL CG2 . 50330 1 224 . 1 . 1 17 17 VAL N N 15 118.113 0.019 . 1 . . 38 . . 17 VAL N . 50330 1 225 . 1 . 1 18 18 GLU H H 1 8.690 0.004 . 1 . . 71 . . 18 GLU H . 50330 1 226 . 1 . 1 18 18 GLU HA H 1 4.963 0.01 . 1 . . 477 . . 18 GLU HA . 50330 1 227 . 1 . 1 18 18 GLU HB2 H 1 2.063 0.015 . 2 . . 478 . . 18 GLU HB2 . 50330 1 228 . 1 . 1 18 18 GLU HB3 H 1 1.546 0.02 . 2 . . 479 . . 18 GLU HB3 . 50330 1 229 . 1 . 1 18 18 GLU HG2 H 1 2.214 0.026 . 2 . . 763 . . 18 GLU HG2 . 50330 1 230 . 1 . 1 18 18 GLU HG3 H 1 2.214 0.026 . 2 . . 764 . . 18 GLU HG3 . 50330 1 231 . 1 . 1 18 18 GLU CA C 13 52.681 0.036 . 1 . . 206 . . 18 GLU CA . 50330 1 232 . 1 . 1 18 18 GLU CB C 13 30.799 0.02 . 1 . . 207 . . 18 GLU CB . 50330 1 233 . 1 . 1 18 18 GLU CG C 13 35.225 0.007 . 1 . . 765 . . 18 GLU CG . 50330 1 234 . 1 . 1 18 18 GLU N N 15 119.636 0.044 . 1 . . 72 . . 18 GLU N . 50330 1 235 . 1 . 1 19 19 PRO HA H 1 4.018 0.025 . 1 . . 633 . . 19 PRO HA . 50330 1 236 . 1 . 1 19 19 PRO HB2 H 1 2.324 0.016 . 1 . . 636 . . 19 PRO HB2 . 50330 1 237 . 1 . 1 19 19 PRO HB3 H 1 2.324 0.016 . 1 . . 637 . . 19 PRO HB3 . 50330 1 238 . 1 . 1 19 19 PRO HG2 H 1 2.128 0.014 . 2 . . 638 . . 19 PRO HG2 . 50330 1 239 . 1 . 1 19 19 PRO HG3 H 1 1.955 0.02 . 2 . . 639 . . 19 PRO HG3 . 50330 1 240 . 1 . 1 19 19 PRO HD2 H 1 3.711 0.027 . 2 . . 634 . . 19 PRO HD2 . 50330 1 241 . 1 . 1 19 19 PRO HD3 H 1 3.711 0.027 . 2 . . 635 . . 19 PRO HD3 . 50330 1 242 . 1 . 1 19 19 PRO C C 13 175.202 . . 1 . . 217 . . 19 PRO C . 50330 1 243 . 1 . 1 19 19 PRO CA C 13 65.169 0.034 . 1 . . 213 . . 19 PRO CA . 50330 1 244 . 1 . 1 19 19 PRO CB C 13 31.699 0.023 . 1 . . 214 . . 19 PRO CB . 50330 1 245 . 1 . 1 19 19 PRO CG C 13 27.817 0.077 . 1 . . 215 . . 19 PRO CG . 50330 1 246 . 1 . 1 19 19 PRO CD C 13 50.362 0.032 . 1 . . 216 . . 19 PRO CD . 50330 1 247 . 1 . 1 20 20 SER H H 1 6.973 0.009 . 1 . . 111 . . 20 SER H . 50330 1 248 . 1 . 1 20 20 SER HA H 1 4.269 0.034 . 1 . . 480 . . 20 SER HA . 50330 1 249 . 1 . 1 20 20 SER HB2 H 1 3.707 0.01 . 2 . . 587 . . 20 SER HB2 . 50330 1 250 . 1 . 1 20 20 SER HB3 H 1 4.063 0.016 . 2 . . 766 . . 20 SER HB3 . 50330 1 251 . 1 . 1 20 20 SER C C 13 174.503 . . 1 . . 220 . . 20 SER C . 50330 1 252 . 1 . 1 20 20 SER CA C 13 57.329 0.056 . 1 . . 211 . . 20 SER CA . 50330 1 253 . 1 . 1 20 20 SER CB C 13 63.266 0.046 . 1 . . 212 . . 20 SER CB . 50330 1 254 . 1 . 1 20 20 SER N N 15 103.640 0.026 . 1 . . 112 . . 20 SER N . 50330 1 255 . 1 . 1 21 21 ASP H H 1 7.970 0.003 . 1 . . 21 . . 21 ASP H . 50330 1 256 . 1 . 1 21 21 ASP HA H 1 4.614 0.013 . 1 . . 481 . . 21 ASP HA . 50330 1 257 . 1 . 1 21 21 ASP HB2 H 1 2.880 0.012 . 2 . . 482 . . 21 ASP HB2 . 50330 1 258 . 1 . 1 21 21 ASP HB3 H 1 2.434 0.013 . 2 . . 767 . . 21 ASP HB3 . 50330 1 259 . 1 . 1 21 21 ASP C C 13 176.124 . . 1 . . 223 . . 21 ASP C . 50330 1 260 . 1 . 1 21 21 ASP CA C 13 55.745 0.044 . 1 . . 218 . . 21 ASP CA . 50330 1 261 . 1 . 1 21 21 ASP CB C 13 40.752 0.066 . 1 . . 219 . . 21 ASP CB . 50330 1 262 . 1 . 1 21 21 ASP N N 15 123.939 0.05 . 1 . . 22 . . 21 ASP N . 50330 1 263 . 1 . 1 22 22 THR H H 1 7.782 0.002 . 1 . . 117 . . 22 THR H . 50330 1 264 . 1 . 1 22 22 THR HA H 1 4.834 0.025 . 1 . . 592 . . 22 THR HA . 50330 1 265 . 1 . 1 22 22 THR HB H 1 4.718 0.005 . 1 . . 768 . . 22 THR HB . 50330 1 266 . 1 . 1 22 22 THR HG21 H 1 1.174 0.016 . 1 . . 640 . . 22 THR HG21 . 50330 1 267 . 1 . 1 22 22 THR HG22 H 1 1.174 0.016 . 1 . . 640 . . 22 THR HG22 . 50330 1 268 . 1 . 1 22 22 THR HG23 H 1 1.174 0.016 . 1 . . 640 . . 22 THR HG23 . 50330 1 269 . 1 . 1 22 22 THR C C 13 176.632 . . 1 . . 227 . . 22 THR C . 50330 1 270 . 1 . 1 22 22 THR CA C 13 59.389 0.057 . 1 . . 221 . . 22 THR CA . 50330 1 271 . 1 . 1 22 22 THR CB C 13 71.047 0.062 . 1 . . 222 . . 22 THR CB . 50330 1 272 . 1 . 1 22 22 THR CG2 C 13 22.178 0.004 . 1 . . 226 . . 22 THR CG2 . 50330 1 273 . 1 . 1 22 22 THR N N 15 108.718 0.031 . 1 . . 118 . . 22 THR N . 50330 1 274 . 1 . 1 23 23 ILE H H 1 8.430 0.017 . 1 . . 75 . . 23 ILE H . 50330 1 275 . 1 . 1 23 23 ILE HA H 1 3.557 0.021 . 1 . . 483 . . 23 ILE HA . 50330 1 276 . 1 . 1 23 23 ILE HB H 1 2.392 0.033 . 1 . . 484 . . 23 ILE HB . 50330 1 277 . 1 . 1 23 23 ILE HG12 H 1 1.835 0.004 . 2 . . 749 . . 23 ILE HG12 . 50330 1 278 . 1 . 1 23 23 ILE HG13 H 1 1.239 0.016 . 2 . . 750 . . 23 ILE HG13 . 50330 1 279 . 1 . 1 23 23 ILE HG21 H 1 0.702 0.015 . 1 . . 593 . . 23 ILE HG21 . 50330 1 280 . 1 . 1 23 23 ILE HG22 H 1 0.702 0.015 . 1 . . 593 . . 23 ILE HG22 . 50330 1 281 . 1 . 1 23 23 ILE HG23 H 1 0.702 0.015 . 1 . . 593 . . 23 ILE HG23 . 50330 1 282 . 1 . 1 23 23 ILE HD11 H 1 0.500 0.028 . 1 . . 748 . . 23 ILE HD11 . 50330 1 283 . 1 . 1 23 23 ILE HD12 H 1 0.500 0.028 . 1 . . 748 . . 23 ILE HD12 . 50330 1 284 . 1 . 1 23 23 ILE HD13 H 1 0.500 0.028 . 1 . . 748 . . 23 ILE HD13 . 50330 1 285 . 1 . 1 23 23 ILE C C 13 178.882 . . 1 . . 228 . . 23 ILE C . 50330 1 286 . 1 . 1 23 23 ILE CA C 13 62.320 0.038 . 1 . . 224 . . 23 ILE CA . 50330 1 287 . 1 . 1 23 23 ILE CB C 13 34.541 0.037 . 1 . . 225 . . 23 ILE CB . 50330 1 288 . 1 . 1 23 23 ILE CG1 C 13 27.750 0.016 . 1 . . 456 . . 23 ILE CG1 . 50330 1 289 . 1 . 1 23 23 ILE CG2 C 13 18.087 0.012 . 1 . . 457 . . 23 ILE CG2 . 50330 1 290 . 1 . 1 23 23 ILE CD1 C 13 9.328 0.02 . 1 . . 747 . . 23 ILE CD1 . 50330 1 291 . 1 . 1 23 23 ILE N N 15 121.142 0.119 . 1 . . 76 . . 23 ILE N . 50330 1 292 . 1 . 1 24 24 GLU H H 1 10.027 0.008 . 1 . . 137 . . 24 GLU H . 50330 1 293 . 1 . 1 24 24 GLU HA H 1 3.787 0.008 . 1 . . 594 . . 24 GLU HA . 50330 1 294 . 1 . 1 24 24 GLU HB2 H 1 1.945 0.008 . 2 . . 641 . . 24 GLU HB2 . 50330 1 295 . 1 . 1 24 24 GLU HB3 H 1 1.945 0.008 . 2 . . 642 . . 24 GLU HB3 . 50330 1 296 . 1 . 1 24 24 GLU HG2 H 1 2.309 0.022 . 2 . . 769 . . 24 GLU HG2 . 50330 1 297 . 1 . 1 24 24 GLU HG3 H 1 2.243 0.024 . 2 . . 770 . . 24 GLU HG3 . 50330 1 298 . 1 . 1 24 24 GLU C C 13 178.876 . . 1 . . 234 . . 24 GLU C . 50330 1 299 . 1 . 1 24 24 GLU CA C 13 60.646 0.031 . 1 . . 229 . . 24 GLU CA . 50330 1 300 . 1 . 1 24 24 GLU CB C 13 28.531 0.06 . 1 . . 232 . . 24 GLU CB . 50330 1 301 . 1 . 1 24 24 GLU CG C 13 36.339 0.021 . 1 . . 233 . . 24 GLU CG . 50330 1 302 . 1 . 1 24 24 GLU N N 15 121.106 0.03 . 1 . . 138 . . 24 GLU N . 50330 1 303 . 1 . 1 25 25 ASN H H 1 7.845 0.017 . 1 . . 57 . . 25 ASN H . 50330 1 304 . 1 . 1 25 25 ASN HA H 1 4.475 0.018 . 1 . . 485 . . 25 ASN HA . 50330 1 305 . 1 . 1 25 25 ASN HB2 H 1 3.112 0.029 . 2 . . 486 . . 25 ASN HB2 . 50330 1 306 . 1 . 1 25 25 ASN HB3 H 1 2.771 0.012 . 2 . . 487 . . 25 ASN HB3 . 50330 1 307 . 1 . 1 25 25 ASN HD21 H 1 6.801 0.001 . 1 . . 821 . . 25 ASN HD21 . 50330 1 308 . 1 . 1 25 25 ASN HD22 H 1 7.259 0.0 . 1 . . 823 . . 25 ASN HD22 . 50330 1 309 . 1 . 1 25 25 ASN C C 13 178.257 . . 1 . . 237 . . 25 ASN C . 50330 1 310 . 1 . 1 25 25 ASN CA C 13 55.858 0.054 . 1 . . 230 . . 25 ASN CA . 50330 1 311 . 1 . 1 25 25 ASN CB C 13 38.190 0.071 . 1 . . 231 . . 25 ASN CB . 50330 1 312 . 1 . 1 25 25 ASN N N 15 121.494 0.049 . 1 . . 58 . . 25 ASN N . 50330 1 313 . 1 . 1 25 25 ASN ND2 N 15 112.346 0.008 . 1 . . 822 . . 25 ASN ND2 . 50330 1 314 . 1 . 1 26 26 VAL H H 1 7.960 0.004 . 1 . . 9 . . 26 VAL H . 50330 1 315 . 1 . 1 26 26 VAL HA H 1 3.333 0.01 . 1 . . 488 . . 26 VAL HA . 50330 1 316 . 1 . 1 26 26 VAL HB H 1 2.259 0.017 . 1 . . 489 . . 26 VAL HB . 50330 1 317 . 1 . 1 26 26 VAL HG11 H 1 0.631 0.018 . 2 . . 744 . . 26 VAL HG11 . 50330 1 318 . 1 . 1 26 26 VAL HG12 H 1 0.631 0.018 . 2 . . 744 . . 26 VAL HG12 . 50330 1 319 . 1 . 1 26 26 VAL HG13 H 1 0.631 0.018 . 2 . . 744 . . 26 VAL HG13 . 50330 1 320 . 1 . 1 26 26 VAL HG21 H 1 0.891 0.022 . 2 . . 745 . . 26 VAL HG21 . 50330 1 321 . 1 . 1 26 26 VAL HG22 H 1 0.891 0.022 . 2 . . 745 . . 26 VAL HG22 . 50330 1 322 . 1 . 1 26 26 VAL HG23 H 1 0.891 0.022 . 2 . . 745 . . 26 VAL HG23 . 50330 1 323 . 1 . 1 26 26 VAL C C 13 177.809 . . 1 . . 242 . . 26 VAL C . 50330 1 324 . 1 . 1 26 26 VAL CA C 13 67.402 0.047 . 1 . . 235 . . 26 VAL CA . 50330 1 325 . 1 . 1 26 26 VAL CB C 13 30.737 0.065 . 1 . . 236 . . 26 VAL CB . 50330 1 326 . 1 . 1 26 26 VAL CG1 C 13 21.360 0.054 . 2 . . 241 . . 26 VAL CG1 . 50330 1 327 . 1 . 1 26 26 VAL CG2 C 13 23.565 0.037 . 2 . . 240 . . 26 VAL CG2 . 50330 1 328 . 1 . 1 26 26 VAL N N 15 122.287 0.049 . 1 . . 10 . . 26 VAL N . 50330 1 329 . 1 . 1 27 27 LYS H H 1 8.468 0.011 . 1 . . 87 . . 27 LYS H . 50330 1 330 . 1 . 1 27 27 LYS HA H 1 4.509 0.021 . 1 . . 490 . . 27 LYS HA . 50330 1 331 . 1 . 1 27 27 LYS HB2 H 1 1.922 0.016 . 2 . . 645 . . 27 LYS HB2 . 50330 1 332 . 1 . 1 27 27 LYS HB3 H 1 1.368 0.025 . 2 . . 771 . . 27 LYS HB3 . 50330 1 333 . 1 . 1 27 27 LYS HG2 H 1 1.376 0.018 . 2 . . 647 . . 27 LYS HG2 . 50330 1 334 . 1 . 1 27 27 LYS HG3 H 1 1.375 0.019 . 2 . . 648 . . 27 LYS HG3 . 50330 1 335 . 1 . 1 27 27 LYS HD2 H 1 1.561 0.032 . 2 . . 646 . . 27 LYS HD2 . 50330 1 336 . 1 . 1 27 27 LYS HD3 H 1 1.636 0.017 . 2 . . 772 . . 27 LYS HD3 . 50330 1 337 . 1 . 1 27 27 LYS HE2 H 1 2.561 0.028 . 2 . . 643 . . 27 LYS HE2 . 50330 1 338 . 1 . 1 27 27 LYS HE3 H 1 2.561 0.028 . 2 . . 644 . . 27 LYS HE3 . 50330 1 339 . 1 . 1 27 27 LYS C C 13 180.262 . . 1 . . 248 . . 27 LYS C . 50330 1 340 . 1 . 1 27 27 LYS CA C 13 59.072 0.031 . 1 . . 238 . . 27 LYS CA . 50330 1 341 . 1 . 1 27 27 LYS CB C 13 33.846 0.08 . 1 . . 239 . . 27 LYS CB . 50330 1 342 . 1 . 1 27 27 LYS CG C 13 26.015 0.01 . 1 . . 247 . . 27 LYS CG . 50330 1 343 . 1 . 1 27 27 LYS CD C 13 30.557 0.006 . 1 . . 246 . . 27 LYS CD . 50330 1 344 . 1 . 1 27 27 LYS CE C 13 42.093 0.046 . 1 . . 245 . . 27 LYS CE . 50330 1 345 . 1 . 1 27 27 LYS N N 15 118.917 0.022 . 1 . . 88 . . 27 LYS N . 50330 1 346 . 1 . 1 28 28 ALA H H 1 7.885 0.003 . 1 . . 59 . . 28 ALA H . 50330 1 347 . 1 . 1 28 28 ALA HA H 1 4.064 0.024 . 1 . . 491 . . 28 ALA HA . 50330 1 348 . 1 . 1 28 28 ALA HB1 H 1 1.550 0.022 . 1 . . 492 . . 28 ALA HB1 . 50330 1 349 . 1 . 1 28 28 ALA HB2 H 1 1.550 0.022 . 1 . . 492 . . 28 ALA HB2 . 50330 1 350 . 1 . 1 28 28 ALA HB3 H 1 1.550 0.022 . 1 . . 492 . . 28 ALA HB3 . 50330 1 351 . 1 . 1 28 28 ALA C C 13 180.012 . . 1 . . 251 . . 28 ALA C . 50330 1 352 . 1 . 1 28 28 ALA CA C 13 55.257 0.024 . 1 . . 243 . . 28 ALA CA . 50330 1 353 . 1 . 1 28 28 ALA CB C 13 17.656 0.033 . 1 . . 244 . . 28 ALA CB . 50330 1 354 . 1 . 1 28 28 ALA N N 15 123.216 0.051 . 1 . . 60 . . 28 ALA N . 50330 1 355 . 1 . 1 29 29 LYS H H 1 7.657 0.005 . 1 . . 119 . . 29 LYS H . 50330 1 356 . 1 . 1 29 29 LYS HA H 1 4.161 0.038 . 1 . . 493 . . 29 LYS HA . 50330 1 357 . 1 . 1 29 29 LYS HB2 H 1 2.007 0.03 . 2 . . 494 . . 29 LYS HB2 . 50330 1 358 . 1 . 1 29 29 LYS HB3 H 1 2.009 0.029 . 2 . . 495 . . 29 LYS HB3 . 50330 1 359 . 1 . 1 29 29 LYS HG2 H 1 1.534 0.032 . 2 . . 653 . . 29 LYS HG2 . 50330 1 360 . 1 . 1 29 29 LYS HG3 H 1 1.535 0.032 . 2 . . 654 . . 29 LYS HG3 . 50330 1 361 . 1 . 1 29 29 LYS HD2 H 1 1.666 0.019 . 2 . . 651 . . 29 LYS HD2 . 50330 1 362 . 1 . 1 29 29 LYS HD3 H 1 1.666 0.019 . 2 . . 652 . . 29 LYS HD3 . 50330 1 363 . 1 . 1 29 29 LYS HE2 H 1 2.922 0.015 . 2 . . 649 . . 29 LYS HE2 . 50330 1 364 . 1 . 1 29 29 LYS HE3 H 1 2.922 0.015 . 2 . . 650 . . 29 LYS HE3 . 50330 1 365 . 1 . 1 29 29 LYS C C 13 179.960 . . 1 . . 257 . . 29 LYS C . 50330 1 366 . 1 . 1 29 29 LYS CA C 13 59.507 0.044 . 1 . . 249 . . 29 LYS CA . 50330 1 367 . 1 . 1 29 29 LYS CB C 13 32.923 0.088 . 1 . . 250 . . 29 LYS CB . 50330 1 368 . 1 . 1 29 29 LYS CG C 13 26.462 0.05 . 1 . . 256 . . 29 LYS CG . 50330 1 369 . 1 . 1 29 29 LYS CD C 13 29.890 0.06 . 1 . . 255 . . 29 LYS CD . 50330 1 370 . 1 . 1 29 29 LYS CE C 13 42.407 0.005 . 1 . . 254 . . 29 LYS CE . 50330 1 371 . 1 . 1 29 29 LYS N N 15 119.725 0.052 . 1 . . 120 . . 29 LYS N . 50330 1 372 . 1 . 1 30 30 ILE H H 1 8.216 0.003 . 1 . . 103 . . 30 ILE H . 50330 1 373 . 1 . 1 30 30 ILE HA H 1 3.406 0.016 . 1 . . 496 . . 30 ILE HA . 50330 1 374 . 1 . 1 30 30 ILE HB H 1 2.277 0.033 . 1 . . 497 . . 30 ILE HB . 50330 1 375 . 1 . 1 30 30 ILE HG12 H 1 1.898 0.021 . 2 . . 773 . . 30 ILE HG12 . 50330 1 376 . 1 . 1 30 30 ILE HG13 H 1 0.629 0.01 . 2 . . 774 . . 30 ILE HG13 . 50330 1 377 . 1 . 1 30 30 ILE HG21 H 1 0.634 0.016 . 1 . . 656 . . 30 ILE HG21 . 50330 1 378 . 1 . 1 30 30 ILE HG22 H 1 0.634 0.016 . 1 . . 656 . . 30 ILE HG22 . 50330 1 379 . 1 . 1 30 30 ILE HG23 H 1 0.634 0.016 . 1 . . 656 . . 30 ILE HG23 . 50330 1 380 . 1 . 1 30 30 ILE HD11 H 1 0.816 0.019 . 1 . . 655 . . 30 ILE HD11 . 50330 1 381 . 1 . 1 30 30 ILE HD12 H 1 0.816 0.019 . 1 . . 655 . . 30 ILE HD12 . 50330 1 382 . 1 . 1 30 30 ILE HD13 H 1 0.816 0.019 . 1 . . 655 . . 30 ILE HD13 . 50330 1 383 . 1 . 1 30 30 ILE C C 13 178.136 . . 1 . . 263 . . 30 ILE C . 50330 1 384 . 1 . 1 30 30 ILE CA C 13 65.843 0.061 . 1 . . 252 . . 30 ILE CA . 50330 1 385 . 1 . 1 30 30 ILE CB C 13 36.621 0.06 . 1 . . 253 . . 30 ILE CB . 50330 1 386 . 1 . 1 30 30 ILE CG1 C 13 30.825 0.019 . 1 . . 260 . . 30 ILE CG1 . 50330 1 387 . 1 . 1 30 30 ILE CG2 C 13 17.175 0.01 . 1 . . 261 . . 30 ILE CG2 . 50330 1 388 . 1 . 1 30 30 ILE CD1 C 13 15.353 0.007 . 1 . . 262 . . 30 ILE CD1 . 50330 1 389 . 1 . 1 30 30 ILE N N 15 121.134 0.048 . 1 . . 104 . . 30 ILE N . 50330 1 390 . 1 . 1 31 31 GLN H H 1 8.421 0.009 . 1 . . 47 . . 31 GLN H . 50330 1 391 . 1 . 1 31 31 GLN HA H 1 3.758 0.019 . 1 . . 500 . . 31 GLN HA . 50330 1 392 . 1 . 1 31 31 GLN HB2 H 1 2.414 0.013 . 2 . . 775 . . 31 GLN HB2 . 50330 1 393 . 1 . 1 31 31 GLN HB3 H 1 2.414 0.013 . 2 . . 776 . . 31 GLN HB3 . 50330 1 394 . 1 . 1 31 31 GLN HG2 H 1 1.866 0.014 . 2 . . 657 . . 31 GLN HG2 . 50330 1 395 . 1 . 1 31 31 GLN HG3 H 1 2.234 0.006 . 2 . . 658 . . 31 GLN HG3 . 50330 1 396 . 1 . 1 31 31 GLN HE21 H 1 7.608 0.001 . 1 . . 808 . . 31 GLN HE21 . 50330 1 397 . 1 . 1 31 31 GLN HE22 H 1 6.742 0.001 . 1 . . 810 . . 31 GLN HE22 . 50330 1 398 . 1 . 1 31 31 GLN C C 13 178.717 . . 1 . . 267 . . 31 GLN C . 50330 1 399 . 1 . 1 31 31 GLN CA C 13 59.858 0.061 . 1 . . 258 . . 31 GLN CA . 50330 1 400 . 1 . 1 31 31 GLN CB C 13 27.755 0.142 . 1 . . 259 . . 31 GLN CB . 50330 1 401 . 1 . 1 31 31 GLN CG C 13 33.955 0.007 . 1 . . 266 . . 31 GLN CG . 50330 1 402 . 1 . 1 31 31 GLN N N 15 123.241 0.029 . 1 . . 48 . . 31 GLN N . 50330 1 403 . 1 . 1 31 31 GLN NE2 N 15 110.168 0.004 . 1 . . 809 . . 31 GLN NE2 . 50330 1 404 . 1 . 1 32 32 ASP H H 1 7.879 0.006 . 1 . . 85 . . 32 ASP H . 50330 1 405 . 1 . 1 32 32 ASP HA H 1 4.262 0.024 . 1 . . 498 . . 32 ASP HA . 50330 1 406 . 1 . 1 32 32 ASP HB2 H 1 2.694 0.009 . 2 . . 659 . . 32 ASP HB2 . 50330 1 407 . 1 . 1 32 32 ASP HB3 H 1 2.809 0.014 . 2 . . 660 . . 32 ASP HB3 . 50330 1 408 . 1 . 1 32 32 ASP C C 13 177.356 . . 1 . . 270 . . 32 ASP C . 50330 1 409 . 1 . 1 32 32 ASP CA C 13 57.600 0.149 . 1 . . 264 . . 32 ASP CA . 50330 1 410 . 1 . 1 32 32 ASP CB C 13 40.599 0.038 . 1 . . 265 . . 32 ASP CB . 50330 1 411 . 1 . 1 32 32 ASP N N 15 120.530 0.035 . 1 . . 86 . . 32 ASP N . 50330 1 412 . 1 . 1 33 33 GLU H H 1 7.531 0.012 . 1 . . 83 . . 33 GLU H . 50330 1 413 . 1 . 1 33 33 GLU HA H 1 4.228 0.015 . 1 . . 499 . . 33 GLU HA . 50330 1 414 . 1 . 1 33 33 GLU HB2 H 1 1.881 0.003 . 2 . . 743 . . 33 GLU HB2 . 50330 1 415 . 1 . 1 33 33 GLU HB3 H 1 2.115 0.009 . 2 . . 777 . . 33 GLU HB3 . 50330 1 416 . 1 . 1 33 33 GLU HG2 H 1 2.175 0.028 . 2 . . 661 . . 33 GLU HG2 . 50330 1 417 . 1 . 1 33 33 GLU HG3 H 1 2.337 0.01 . 2 . . 662 . . 33 GLU HG3 . 50330 1 418 . 1 . 1 33 33 GLU C C 13 177.586 . . 1 . . 274 . . 33 GLU C . 50330 1 419 . 1 . 1 33 33 GLU CA C 13 58.089 0.044 . 1 . . 268 . . 33 GLU CA . 50330 1 420 . 1 . 1 33 33 GLU CB C 13 31.012 0.039 . 1 . . 269 . . 33 GLU CB . 50330 1 421 . 1 . 1 33 33 GLU CG C 13 35.260 0.007 . 1 . . 273 . . 33 GLU CG . 50330 1 422 . 1 . 1 33 33 GLU N N 15 116.244 0.033 . 1 . . 84 . . 33 GLU N . 50330 1 423 . 1 . 1 34 34 GLU H H 1 8.608 0.005 . 1 . . 31 . . 34 GLU H . 50330 1 424 . 1 . 1 34 34 GLU HA H 1 4.521 0.008 . 1 . . 501 . . 34 GLU HA . 50330 1 425 . 1 . 1 34 34 GLU HB2 H 1 1.666 0.029 . 2 . . 504 . . 34 GLU HB2 . 50330 1 426 . 1 . 1 34 34 GLU HB3 H 1 2.133 0.023 . 2 . . 778 . . 34 GLU HB3 . 50330 1 427 . 1 . 1 34 34 GLU HG2 H 1 2.039 0.019 . 2 . . 502 . . 34 GLU HG2 . 50330 1 428 . 1 . 1 34 34 GLU HG3 H 1 2.039 0.019 . 2 . . 503 . . 34 GLU HG3 . 50330 1 429 . 1 . 1 34 34 GLU C C 13 177.942 . . 1 . . 277 . . 34 GLU C . 50330 1 430 . 1 . 1 34 34 GLU CA C 13 55.250 0.036 . 1 . . 271 . . 34 GLU CA . 50330 1 431 . 1 . 1 34 34 GLU CB C 13 33.448 0.019 . 1 . . 272 . . 34 GLU CB . 50330 1 432 . 1 . 1 34 34 GLU CG C 13 36.523 0.011 . 1 . . 276 . . 34 GLU CG . 50330 1 433 . 1 . 1 34 34 GLU N N 15 114.432 0.027 . 1 . . 32 . . 34 GLU N . 50330 1 434 . 1 . 1 35 35 GLY H H 1 8.424 0.004 . 1 . . 2 . . 35 GLY H . 50330 1 435 . 1 . 1 35 35 GLY HA2 H 1 4.044 0.008 . 2 . . 663 . . 35 GLY HA2 . 50330 1 436 . 1 . 1 35 35 GLY HA3 H 1 3.829 0.015 . 2 . . 664 . . 35 GLY HA3 . 50330 1 437 . 1 . 1 35 35 GLY C C 13 173.899 . . 1 . . 280 . . 35 GLY C . 50330 1 438 . 1 . 1 35 35 GLY CA C 13 45.813 0.059 . 1 . . 275 . . 35 GLY CA . 50330 1 439 . 1 . 1 35 35 GLY N N 15 108.897 0.035 . 1 . . 1 . . 35 GLY N . 50330 1 440 . 1 . 1 36 36 ILE H H 1 6.134 0.009 . 1 . . 105 . . 36 ILE H . 50330 1 441 . 1 . 1 36 36 ILE HA H 1 4.347 0.018 . 1 . . 505 . . 36 ILE HA . 50330 1 442 . 1 . 1 36 36 ILE HB H 1 1.373 0.011 . 1 . . 586 . . 36 ILE HB . 50330 1 443 . 1 . 1 36 36 ILE HD11 H 1 0.728 0.006 . 1 . . 779 . . 36 ILE HD11 . 50330 1 444 . 1 . 1 36 36 ILE HD12 H 1 0.728 0.006 . 1 . . 779 . . 36 ILE HD12 . 50330 1 445 . 1 . 1 36 36 ILE HD13 H 1 0.728 0.006 . 1 . . 779 . . 36 ILE HD13 . 50330 1 446 . 1 . 1 36 36 ILE CA C 13 57.698 0.016 . 1 . . 278 . . 36 ILE CA . 50330 1 447 . 1 . 1 36 36 ILE CB C 13 40.327 0.033 . 1 . . 279 . . 36 ILE CB . 50330 1 448 . 1 . 1 36 36 ILE CD1 C 13 13.518 0.015 . 1 . . 780 . . 36 ILE CD1 . 50330 1 449 . 1 . 1 36 36 ILE N N 15 120.354 0.043 . 1 . . 106 . . 36 ILE N . 50330 1 450 . 1 . 1 38 38 PRO HA H 1 4.009 0.016 . 1 . . 665 . . 38 PRO HA . 50330 1 451 . 1 . 1 38 38 PRO HB2 H 1 2.193 0.01 . 2 . . 668 . . 38 PRO HB2 . 50330 1 452 . 1 . 1 38 38 PRO HB3 H 1 1.965 0.017 . 2 . . 669 . . 38 PRO HB3 . 50330 1 453 . 1 . 1 38 38 PRO HG2 H 1 1.585 0.009 . 2 . . 670 . . 38 PRO HG2 . 50330 1 454 . 1 . 1 38 38 PRO HG3 H 1 2.117 0.016 . 2 . . 781 . . 38 PRO HG3 . 50330 1 455 . 1 . 1 38 38 PRO HD2 H 1 3.683 0.017 . 1 . . 666 . . 38 PRO HD2 . 50330 1 456 . 1 . 1 38 38 PRO HD3 H 1 3.683 0.017 . 1 . . 667 . . 38 PRO HD3 . 50330 1 457 . 1 . 1 38 38 PRO C C 13 178.128 . . 1 . . 287 . . 38 PRO C . 50330 1 458 . 1 . 1 38 38 PRO CA C 13 66.026 0.023 . 1 . . 281 . . 38 PRO CA . 50330 1 459 . 1 . 1 38 38 PRO CB C 13 32.733 0.032 . 1 . . 284 . . 38 PRO CB . 50330 1 460 . 1 . 1 38 38 PRO CG C 13 27.691 0.012 . 1 . . 286 . . 38 PRO CG . 50330 1 461 . 1 . 1 38 38 PRO CD C 13 51.032 0.02 . 1 . . 285 . . 38 PRO CD . 50330 1 462 . 1 . 1 39 39 ASP H H 1 8.453 0.004 . 1 . . 41 . . 39 ASP H . 50330 1 463 . 1 . 1 39 39 ASP HA H 1 4.328 0.022 . 1 . . 595 . . 39 ASP HA . 50330 1 464 . 1 . 1 39 39 ASP HB2 H 1 2.598 0.011 . 2 . . 596 . . 39 ASP HB2 . 50330 1 465 . 1 . 1 39 39 ASP HB3 H 1 2.696 0.004 . 2 . . 782 . . 39 ASP HB3 . 50330 1 466 . 1 . 1 39 39 ASP C C 13 176.939 . . 1 . . 290 . . 39 ASP C . 50330 1 467 . 1 . 1 39 39 ASP CA C 13 55.586 0.079 . 1 . . 282 . . 39 ASP CA . 50330 1 468 . 1 . 1 39 39 ASP CB C 13 39.766 0.039 . 1 . . 283 . . 39 ASP CB . 50330 1 469 . 1 . 1 39 39 ASP N N 15 113.621 0.033 . 1 . . 42 . . 39 ASP N . 50330 1 470 . 1 . 1 40 40 GLN H H 1 7.784 0.007 . 1 . . 121 . . 40 GLN H . 50330 1 471 . 1 . 1 40 40 GLN HA H 1 4.369 0.018 . 1 . . 506 . . 40 GLN HA . 50330 1 472 . 1 . 1 40 40 GLN HB2 H 1 1.755 0.012 . 1 . . 509 . . 40 GLN HB2 . 50330 1 473 . 1 . 1 40 40 GLN HB3 H 1 1.755 0.012 . 1 . . 510 . . 40 GLN HB3 . 50330 1 474 . 1 . 1 40 40 GLN HG2 H 1 2.331 0.011 . 2 . . 507 . . 40 GLN HG2 . 50330 1 475 . 1 . 1 40 40 GLN HG3 H 1 2.331 0.01 . 2 . . 508 . . 40 GLN HG3 . 50330 1 476 . 1 . 1 40 40 GLN HE21 H 1 7.613 0.004 . 1 . . 818 . . 40 GLN HE21 . 50330 1 477 . 1 . 1 40 40 GLN HE22 H 1 6.679 0.001 . 1 . . 820 . . 40 GLN HE22 . 50330 1 478 . 1 . 1 40 40 GLN C C 13 175.257 . . 1 . . 294 . . 40 GLN C . 50330 1 479 . 1 . 1 40 40 GLN CA C 13 55.531 0.035 . 1 . . 288 . . 40 GLN CA . 50330 1 480 . 1 . 1 40 40 GLN CB C 13 29.854 0.074 . 1 . . 289 . . 40 GLN CB . 50330 1 481 . 1 . 1 40 40 GLN CG C 13 34.389 0.018 . 1 . . 293 . . 40 GLN CG . 50330 1 482 . 1 . 1 40 40 GLN N N 15 117.001 0.028 . 1 . . 122 . . 40 GLN N . 50330 1 483 . 1 . 1 40 40 GLN NE2 N 15 111.226 0.014 . 1 . . 819 . . 40 GLN NE2 . 50330 1 484 . 1 . 1 41 41 GLN H H 1 7.418 0.004 . 1 . . 131 . . 41 GLN H . 50330 1 485 . 1 . 1 41 41 GLN HA H 1 4.188 0.011 . 1 . . 511 . . 41 GLN HA . 50330 1 486 . 1 . 1 41 41 GLN HB2 H 1 1.887 0.028 . 2 . . 513 . . 41 GLN HB2 . 50330 1 487 . 1 . 1 41 41 GLN HB3 H 1 1.884 0.028 . 2 . . 514 . . 41 GLN HB3 . 50330 1 488 . 1 . 1 41 41 GLN HG2 H 1 2.429 0.02 . 2 . . 512 . . 41 GLN HG2 . 50330 1 489 . 1 . 1 41 41 GLN HG3 H 1 2.432 0.005 . 2 . . 814 . . 41 GLN HG3 . 50330 1 490 . 1 . 1 41 41 GLN HE21 H 1 6.474 0.001 . 1 . . 815 . . 41 GLN HE21 . 50330 1 491 . 1 . 1 41 41 GLN HE22 H 1 6.175 0.001 . 1 . . 817 . . 41 GLN HE22 . 50330 1 492 . 1 . 1 41 41 GLN C C 13 175.846 . . 1 . . 298 . . 41 GLN C . 50330 1 493 . 1 . 1 41 41 GLN CA C 13 56.465 0.045 . 1 . . 291 . . 41 GLN CA . 50330 1 494 . 1 . 1 41 41 GLN CB C 13 31.473 0.076 . 1 . . 292 . . 41 GLN CB . 50330 1 495 . 1 . 1 41 41 GLN CG C 13 33.585 0.009 . 1 . . 297 . . 41 GLN CG . 50330 1 496 . 1 . 1 41 41 GLN N N 15 118.336 0.031 . 1 . . 132 . . 41 GLN N . 50330 1 497 . 1 . 1 41 41 GLN NE2 N 15 104.398 0.004 . 1 . . 816 . . 41 GLN NE2 . 50330 1 498 . 1 . 1 42 42 ARG H H 1 8.476 0.01 . 1 . . 123 . . 42 ARG H . 50330 1 499 . 1 . 1 42 42 ARG HA H 1 4.440 0.023 . 1 . . 515 . . 42 ARG HA . 50330 1 500 . 1 . 1 42 42 ARG HB2 H 1 1.595 0.008 . 1 . . 516 . . 42 ARG HB2 . 50330 1 501 . 1 . 1 42 42 ARG HB3 H 1 1.595 0.008 . 1 . . 517 . . 42 ARG HB3 . 50330 1 502 . 1 . 1 42 42 ARG HG2 H 1 1.344 0.028 . 2 . . 671 . . 42 ARG HG2 . 50330 1 503 . 1 . 1 42 42 ARG HG3 H 1 1.344 0.028 . 2 . . 672 . . 42 ARG HG3 . 50330 1 504 . 1 . 1 42 42 ARG HD2 H 1 3.046 0.013 . 2 . . 673 . . 42 ARG HD2 . 50330 1 505 . 1 . 1 42 42 ARG HD3 H 1 3.046 0.013 . 2 . . 674 . . 42 ARG HD3 . 50330 1 506 . 1 . 1 42 42 ARG C C 13 173.579 . . 1 . . 314 . . 42 ARG C . 50330 1 507 . 1 . 1 42 42 ARG CA C 13 55.015 0.101 . 1 . . 295 . . 42 ARG CA . 50330 1 508 . 1 . 1 42 42 ARG CB C 13 31.631 0.104 . 1 . . 296 . . 42 ARG CB . 50330 1 509 . 1 . 1 42 42 ARG CG C 13 26.954 0.005 . 1 . . 313 . . 42 ARG CG . 50330 1 510 . 1 . 1 42 42 ARG CD C 13 43.485 0.005 . 1 . . 315 . . 42 ARG CD . 50330 1 511 . 1 . 1 42 42 ARG N N 15 123.716 0.053 . 1 . . 124 . . 42 ARG N . 50330 1 512 . 1 . 1 43 43 LEU H H 1 8.771 0.007 . 1 . . 115 . . 43 LEU H . 50330 1 513 . 1 . 1 43 43 LEU HA H 1 5.290 0.013 . 1 . . 518 . . 43 LEU HA . 50330 1 514 . 1 . 1 43 43 LEU HB2 H 1 1.457 0.019 . 2 . . 519 . . 43 LEU HB2 . 50330 1 515 . 1 . 1 43 43 LEU HB3 H 1 1.102 0.014 . 2 . . 783 . . 43 LEU HB3 . 50330 1 516 . 1 . 1 43 43 LEU HG H 1 1.407 0.031 . 1 . . 676 . . 43 LEU HG . 50330 1 517 . 1 . 1 43 43 LEU HD11 H 1 0.683 0.019 . 2 . . 675 . . 43 LEU HD11 . 50330 1 518 . 1 . 1 43 43 LEU HD12 H 1 0.683 0.019 . 2 . . 675 . . 43 LEU HD12 . 50330 1 519 . 1 . 1 43 43 LEU HD13 H 1 0.683 0.019 . 2 . . 675 . . 43 LEU HD13 . 50330 1 520 . 1 . 1 43 43 LEU HD21 H 1 0.706 0.013 . 2 . . 784 . . 43 LEU HD21 . 50330 1 521 . 1 . 1 43 43 LEU HD22 H 1 0.706 0.013 . 2 . . 784 . . 43 LEU HD22 . 50330 1 522 . 1 . 1 43 43 LEU HD23 H 1 0.706 0.013 . 2 . . 784 . . 43 LEU HD23 . 50330 1 523 . 1 . 1 43 43 LEU C C 13 175.198 . . 1 . . 321 . . 43 LEU C . 50330 1 524 . 1 . 1 43 43 LEU CA C 13 52.880 0.046 . 1 . . 311 . . 43 LEU CA . 50330 1 525 . 1 . 1 43 43 LEU CB C 13 45.796 0.022 . 1 . . 312 . . 43 LEU CB . 50330 1 526 . 1 . 1 43 43 LEU CG C 13 27.067 0.008 . 1 . . 318 . . 43 LEU CG . 50330 1 527 . 1 . 1 43 43 LEU CD1 C 13 26.199 0.031 . 2 . . 319 . . 43 LEU CD1 . 50330 1 528 . 1 . 1 43 43 LEU CD2 C 13 24.036 0.052 . 2 . . 320 . . 43 LEU CD2 . 50330 1 529 . 1 . 1 43 43 LEU N N 15 125.408 0.07 . 1 . . 116 . . 43 LEU N . 50330 1 530 . 1 . 1 44 44 ILE H H 1 8.984 0.004 . 1 . . 97 . . 44 ILE H . 50330 1 531 . 1 . 1 44 44 ILE HA H 1 4.869 0.018 . 1 . . 520 . . 44 ILE HA . 50330 1 532 . 1 . 1 44 44 ILE HB H 1 1.662 0.01 . 1 . . 521 . . 44 ILE HB . 50330 1 533 . 1 . 1 44 44 ILE HG12 H 1 0.977 0.042 . 1 . . 522 . . 44 ILE HG12 . 50330 1 534 . 1 . 1 44 44 ILE HG13 H 1 0.977 0.042 . 1 . . 523 . . 44 ILE HG13 . 50330 1 535 . 1 . 1 44 44 ILE HG21 H 1 0.608 0.016 . 1 . . 524 . . 44 ILE HG21 . 50330 1 536 . 1 . 1 44 44 ILE HG22 H 1 0.608 0.016 . 1 . . 524 . . 44 ILE HG22 . 50330 1 537 . 1 . 1 44 44 ILE HG23 H 1 0.608 0.016 . 1 . . 524 . . 44 ILE HG23 . 50330 1 538 . 1 . 1 44 44 ILE HD11 H 1 0.592 0.015 . 1 . . 525 . . 44 ILE HD11 . 50330 1 539 . 1 . 1 44 44 ILE HD12 H 1 0.592 0.015 . 1 . . 525 . . 44 ILE HD12 . 50330 1 540 . 1 . 1 44 44 ILE HD13 H 1 0.592 0.015 . 1 . . 525 . . 44 ILE HD13 . 50330 1 541 . 1 . 1 44 44 ILE C C 13 175.594 . . 1 . . 327 . . 44 ILE C . 50330 1 542 . 1 . 1 44 44 ILE CA C 13 58.687 0.056 . 1 . . 316 . . 44 ILE CA . 50330 1 543 . 1 . 1 44 44 ILE CB C 13 41.321 0.092 . 1 . . 317 . . 44 ILE CB . 50330 1 544 . 1 . 1 44 44 ILE CG1 C 13 27.653 0.065 . 1 . . 324 . . 44 ILE CG1 . 50330 1 545 . 1 . 1 44 44 ILE CG2 C 13 17.458 0.007 . 1 . . 325 . . 44 ILE CG2 . 50330 1 546 . 1 . 1 44 44 ILE CD1 C 13 12.632 0.006 . 1 . . 326 . . 44 ILE CD1 . 50330 1 547 . 1 . 1 44 44 ILE N N 15 121.853 0.022 . 1 . . 98 . . 44 ILE N . 50330 1 548 . 1 . 1 45 45 PHE H H 1 8.765 0.007 . 1 . . 101 . . 45 PHE H . 50330 1 549 . 1 . 1 45 45 PHE HA H 1 5.160 0.009 . 1 . . 526 . . 45 PHE HA . 50330 1 550 . 1 . 1 45 45 PHE HB2 H 1 2.933 0.017 . 2 . . 683 . . 45 PHE HB2 . 50330 1 551 . 1 . 1 45 45 PHE HB3 H 1 2.752 0.008 . 2 . . 684 . . 45 PHE HB3 . 50330 1 552 . 1 . 1 45 45 PHE C C 13 174.602 . . 1 . . 328 . . 45 PHE C . 50330 1 553 . 1 . 1 45 45 PHE CA C 13 56.044 0.057 . 1 . . 322 . . 45 PHE CA . 50330 1 554 . 1 . 1 45 45 PHE CB C 13 43.340 0.057 . 1 . . 323 . . 45 PHE CB . 50330 1 555 . 1 . 1 45 45 PHE N N 15 124.554 0.047 . 1 . . 102 . . 45 PHE N . 50330 1 556 . 1 . 1 46 46 ALA H H 1 9.026 0.005 . 1 . . 55 . . 46 ALA H . 50330 1 557 . 1 . 1 46 46 ALA HA H 1 3.620 0.014 . 1 . . 685 . . 46 ALA HA . 50330 1 558 . 1 . 1 46 46 ALA HB1 H 1 0.754 0.005 . 1 . . 686 . . 46 ALA HB1 . 50330 1 559 . 1 . 1 46 46 ALA HB2 H 1 0.754 0.005 . 1 . . 686 . . 46 ALA HB2 . 50330 1 560 . 1 . 1 46 46 ALA HB3 H 1 0.754 0.005 . 1 . . 686 . . 46 ALA HB3 . 50330 1 561 . 1 . 1 46 46 ALA C C 13 177.236 . . 1 . . 332 . . 46 ALA C . 50330 1 562 . 1 . 1 46 46 ALA CA C 13 52.309 0.088 . 1 . . 329 . . 46 ALA CA . 50330 1 563 . 1 . 1 46 46 ALA CB C 13 16.288 0.04 . 1 . . 331 . . 46 ALA CB . 50330 1 564 . 1 . 1 46 46 ALA N N 15 133.222 0.041 . 1 . . 56 . . 46 ALA N . 50330 1 565 . 1 . 1 47 47 GLY H H 1 7.974 0.005 . 1 . . 45 . . 47 GLY H . 50330 1 566 . 1 . 1 47 47 GLY HA2 H 1 4.026 0.014 . 2 . . 527 . . 47 GLY HA2 . 50330 1 567 . 1 . 1 47 47 GLY HA3 H 1 3.355 0.014 . 2 . . 528 . . 47 GLY HA3 . 50330 1 568 . 1 . 1 47 47 GLY C C 13 173.602 . . 1 . . 335 . . 47 GLY C . 50330 1 569 . 1 . 1 47 47 GLY CA C 13 45.169 0.064 . 1 . . 330 . . 47 GLY CA . 50330 1 570 . 1 . 1 47 47 GLY N N 15 102.560 0.038 . 1 . . 46 . . 47 GLY N . 50330 1 571 . 1 . 1 48 48 LYS H H 1 7.941 0.015 . 1 . . 129 . . 48 LYS H . 50330 1 572 . 1 . 1 48 48 LYS HA H 1 4.508 0.007 . 1 . . 529 . . 48 LYS HA . 50330 1 573 . 1 . 1 48 48 LYS HB2 H 1 1.830 0.013 . 1 . . 693 . . 48 LYS HB2 . 50330 1 574 . 1 . 1 48 48 LYS HB3 H 1 1.830 0.013 . 1 . . 694 . . 48 LYS HB3 . 50330 1 575 . 1 . 1 48 48 LYS HG2 H 1 1.452 0.026 . 2 . . 695 . . 48 LYS HG2 . 50330 1 576 . 1 . 1 48 48 LYS HG3 H 1 1.453 0.025 . 2 . . 696 . . 48 LYS HG3 . 50330 1 577 . 1 . 1 48 48 LYS HD2 H 1 1.783 0.043 . 2 . . 691 . . 48 LYS HD2 . 50330 1 578 . 1 . 1 48 48 LYS HD3 H 1 1.783 0.043 . 2 . . 692 . . 48 LYS HD3 . 50330 1 579 . 1 . 1 48 48 LYS HE2 H 1 3.093 0.005 . 2 . . 687 . . 48 LYS HE2 . 50330 1 580 . 1 . 1 48 48 LYS HE3 H 1 3.093 0.005 . 2 . . 688 . . 48 LYS HE3 . 50330 1 581 . 1 . 1 48 48 LYS C C 13 174.584 . . 1 . . 341 . . 48 LYS C . 50330 1 582 . 1 . 1 48 48 LYS CA C 13 54.655 0.038 . 1 . . 333 . . 48 LYS CA . 50330 1 583 . 1 . 1 48 48 LYS CB C 13 34.216 0.057 . 1 . . 334 . . 48 LYS CB . 50330 1 584 . 1 . 1 48 48 LYS CG C 13 24.537 0.053 . 1 . . 340 . . 48 LYS CG . 50330 1 585 . 1 . 1 48 48 LYS CD C 13 29.117 0.008 . 1 . . 339 . . 48 LYS CD . 50330 1 586 . 1 . 1 48 48 LYS CE C 13 42.274 0.04 . 1 . . 338 . . 48 LYS CE . 50330 1 587 . 1 . 1 48 48 LYS N N 15 122.355 0.022 . 1 . . 130 . . 48 LYS N . 50330 1 588 . 1 . 1 49 49 LYS H H 1 8.410 0.002 . 1 . . 13 . . 49 LYS H . 50330 1 589 . 1 . 1 49 49 LYS HA H 1 4.310 0.014 . 1 . . 530 . . 49 LYS HA . 50330 1 590 . 1 . 1 49 49 LYS HB2 H 1 1.651 0.01 . 2 . . 531 . . 49 LYS HB2 . 50330 1 591 . 1 . 1 49 49 LYS HB3 H 1 1.652 0.01 . 2 . . 532 . . 49 LYS HB3 . 50330 1 592 . 1 . 1 49 49 LYS HG2 H 1 1.210 0.008 . 2 . . 533 . . 49 LYS HG2 . 50330 1 593 . 1 . 1 49 49 LYS HG3 H 1 1.385 0.025 . 2 . . 697 . . 49 LYS HG3 . 50330 1 594 . 1 . 1 49 49 LYS HD2 H 1 1.644 0.01 . 2 . . 785 . . 49 LYS HD2 . 50330 1 595 . 1 . 1 49 49 LYS HD3 H 1 1.644 0.01 . 2 . . 786 . . 49 LYS HD3 . 50330 1 596 . 1 . 1 49 49 LYS HE2 H 1 2.854 0.009 . 1 . . 689 . . 49 LYS HE2 . 50330 1 597 . 1 . 1 49 49 LYS HE3 H 1 2.854 0.009 . 1 . . 690 . . 49 LYS HE3 . 50330 1 598 . 1 . 1 49 49 LYS C C 13 175.836 . . 1 . . 347 . . 49 LYS C . 50330 1 599 . 1 . 1 49 49 LYS CA C 13 56.548 0.027 . 1 . . 336 . . 49 LYS CA . 50330 1 600 . 1 . 1 49 49 LYS CB C 13 32.312 0.061 . 1 . . 337 . . 49 LYS CB . 50330 1 601 . 1 . 1 49 49 LYS CG C 13 24.890 0.004 . 1 . . 346 . . 49 LYS CG . 50330 1 602 . 1 . 1 49 49 LYS CD C 13 29.446 0.022 . 1 . . 345 . . 49 LYS CD . 50330 1 603 . 1 . 1 49 49 LYS CE C 13 41.791 0.007 . 1 . . 344 . . 49 LYS CE . 50330 1 604 . 1 . 1 49 49 LYS N N 15 123.949 0.044 . 1 . . 14 . . 49 LYS N . 50330 1 605 . 1 . 1 50 50 LEU H H 1 8.340 0.008 . 1 . . 79 . . 50 LEU H . 50330 1 606 . 1 . 1 50 50 LEU HA H 1 4.029 0.014 . 1 . . 534 . . 50 LEU HA . 50330 1 607 . 1 . 1 50 50 LEU HB2 H 1 1.428 0.016 . 2 . . 535 . . 50 LEU HB2 . 50330 1 608 . 1 . 1 50 50 LEU HB3 H 1 0.885 0.018 . 2 . . 536 . . 50 LEU HB3 . 50330 1 609 . 1 . 1 50 50 LEU HG H 1 1.407 0.014 . 1 . . 787 . . 50 LEU HG . 50330 1 610 . 1 . 1 50 50 LEU HD11 H 1 0.448 0.029 . 2 . . 698 . . 50 LEU HD11 . 50330 1 611 . 1 . 1 50 50 LEU HD12 H 1 0.448 0.029 . 2 . . 698 . . 50 LEU HD12 . 50330 1 612 . 1 . 1 50 50 LEU HD13 H 1 0.448 0.029 . 2 . . 698 . . 50 LEU HD13 . 50330 1 613 . 1 . 1 50 50 LEU HD21 H 1 -0.233 0.012 . 2 . . 699 . . 50 LEU HD21 . 50330 1 614 . 1 . 1 50 50 LEU HD22 H 1 -0.233 0.012 . 2 . . 699 . . 50 LEU HD22 . 50330 1 615 . 1 . 1 50 50 LEU HD23 H 1 -0.233 0.012 . 2 . . 699 . . 50 LEU HD23 . 50330 1 616 . 1 . 1 50 50 LEU C C 13 176.450 . . 1 . . 353 . . 50 LEU C . 50330 1 617 . 1 . 1 50 50 LEU CA C 13 53.844 0.043 . 1 . . 342 . . 50 LEU CA . 50330 1 618 . 1 . 1 50 50 LEU CB C 13 41.270 0.042 . 1 . . 343 . . 50 LEU CB . 50330 1 619 . 1 . 1 50 50 LEU CG C 13 25.886 0.015 . 1 . . 351 . . 50 LEU CG . 50330 1 620 . 1 . 1 50 50 LEU CD1 C 13 25.892 0.012 . 2 . . 350 . . 50 LEU CD1 . 50330 1 621 . 1 . 1 50 50 LEU CD2 C 13 19.684 0.008 . 2 . . 352 . . 50 LEU CD2 . 50330 1 622 . 1 . 1 50 50 LEU N N 15 124.935 0.04 . 1 . . 80 . . 50 LEU N . 50330 1 623 . 1 . 1 51 51 GLU H H 1 8.308 0.003 . 1 . . 113 . . 51 GLU H . 50330 1 624 . 1 . 1 51 51 GLU HA H 1 4.410 0.016 . 1 . . 537 . . 51 GLU HA . 50330 1 625 . 1 . 1 51 51 GLU HB2 H 1 1.857 0.007 . 1 . . 538 . . 51 GLU HB2 . 50330 1 626 . 1 . 1 51 51 GLU HB3 H 1 1.857 0.007 . 1 . . 539 . . 51 GLU HB3 . 50330 1 627 . 1 . 1 51 51 GLU HG2 H 1 2.250 0.024 . 2 . . 700 . . 51 GLU HG2 . 50330 1 628 . 1 . 1 51 51 GLU HG3 H 1 2.183 0.019 . 2 . . 701 . . 51 GLU HG3 . 50330 1 629 . 1 . 1 51 51 GLU C C 13 175.388 . . 1 . . 357 . . 51 GLU C . 50330 1 630 . 1 . 1 51 51 GLU CA C 13 55.824 0.105 . 1 . . 348 . . 51 GLU CA . 50330 1 631 . 1 . 1 51 51 GLU CB C 13 31.678 0.088 . 1 . . 349 . . 51 GLU CB . 50330 1 632 . 1 . 1 51 51 GLU CG C 13 36.440 0.003 . 1 . . 356 . . 51 GLU CG . 50330 1 633 . 1 . 1 51 51 GLU N N 15 123.198 0.039 . 1 . . 114 . . 51 GLU N . 50330 1 634 . 1 . 1 52 52 ASP H H 1 8.134 0.003 . 1 . . 51 . . 52 ASP H . 50330 1 635 . 1 . 1 52 52 ASP HA H 1 4.153 0.015 . 1 . . 540 . . 52 ASP HA . 50330 1 636 . 1 . 1 52 52 ASP CA C 13 56.549 . . 1 . . 354 . . 52 ASP CA . 50330 1 637 . 1 . 1 52 52 ASP CB C 13 40.726 . . 1 . . 355 . . 52 ASP CB . 50330 1 638 . 1 . 1 52 52 ASP N N 15 120.467 0.03 . 1 . . 52 . . 52 ASP N . 50330 1 639 . 1 . 1 53 53 GLY HA2 H 1 3.971 0.004 . 2 . . 702 . . 53 GLY HA2 . 50330 1 640 . 1 . 1 53 53 GLY HA3 H 1 3.971 0.004 . 2 . . 703 . . 53 GLY HA3 . 50330 1 641 . 1 . 1 53 53 GLY C C 13 174.677 . . 1 . . 361 . . 53 GLY C . 50330 1 642 . 1 . 1 53 53 GLY CA C 13 45.123 0.056 . 1 . . 359 . . 53 GLY CA . 50330 1 643 . 1 . 1 54 54 ARG H H 1 7.413 0.003 . 1 . . 125 . . 54 ARG H . 50330 1 644 . 1 . 1 54 54 ARG HA H 1 4.641 0.005 . 1 . . 541 . . 54 ARG HA . 50330 1 645 . 1 . 1 54 54 ARG HB2 H 1 2.203 0.006 . 2 . . 542 . . 54 ARG HB2 . 50330 1 646 . 1 . 1 54 54 ARG HB3 H 1 2.051 0.01 . 2 . . 788 . . 54 ARG HB3 . 50330 1 647 . 1 . 1 54 54 ARG HG2 H 1 1.508 0.011 . 2 . . 704 . . 54 ARG HG2 . 50330 1 648 . 1 . 1 54 54 ARG HG3 H 1 1.740 0.009 . 2 . . 746 . . 54 ARG HG3 . 50330 1 649 . 1 . 1 54 54 ARG HD2 H 1 3.021 0.019 . 2 . . 705 . . 54 ARG HD2 . 50330 1 650 . 1 . 1 54 54 ARG HD3 H 1 3.020 0.019 . 2 . . 706 . . 54 ARG HD3 . 50330 1 651 . 1 . 1 54 54 ARG C C 13 175.245 . . 1 . . 366 . . 54 ARG C . 50330 1 652 . 1 . 1 54 54 ARG CA C 13 54.235 0.052 . 1 . . 358 . . 54 ARG CA . 50330 1 653 . 1 . 1 54 54 ARG CB C 13 32.699 0.036 . 1 . . 360 . . 54 ARG CB . 50330 1 654 . 1 . 1 54 54 ARG CG C 13 27.364 0.007 . 1 . . 364 . . 54 ARG CG . 50330 1 655 . 1 . 1 54 54 ARG CD C 13 42.900 0.016 . 1 . . 365 . . 54 ARG CD . 50330 1 656 . 1 . 1 54 54 ARG N N 15 119.510 0.025 . 1 . . 126 . . 54 ARG N . 50330 1 657 . 1 . 1 55 55 THR H H 1 8.785 0.019 . 1 . . 3 . . 55 THR H . 50330 1 658 . 1 . 1 55 55 THR HA H 1 5.138 0.009 . 1 . . 543 . . 55 THR HA . 50330 1 659 . 1 . 1 55 55 THR HB H 1 4.451 0.011 . 1 . . 597 . . 55 THR HB . 50330 1 660 . 1 . 1 55 55 THR HG21 H 1 1.051 0.014 . 1 . . 707 . . 55 THR HG21 . 50330 1 661 . 1 . 1 55 55 THR HG22 H 1 1.051 0.014 . 1 . . 707 . . 55 THR HG22 . 50330 1 662 . 1 . 1 55 55 THR HG23 H 1 1.051 0.014 . 1 . . 707 . . 55 THR HG23 . 50330 1 663 . 1 . 1 55 55 THR C C 13 176.386 . . 1 . . 370 . . 55 THR C . 50330 1 664 . 1 . 1 55 55 THR CA C 13 59.527 0.091 . 1 . . 362 . . 55 THR CA . 50330 1 665 . 1 . 1 55 55 THR CB C 13 72.146 0.043 . 1 . . 363 . . 55 THR CB . 50330 1 666 . 1 . 1 55 55 THR CG2 C 13 22.158 0.048 . 1 . . 369 . . 55 THR CG2 . 50330 1 667 . 1 . 1 55 55 THR N N 15 108.989 0.039 . 1 . . 4 . . 55 THR N . 50330 1 668 . 1 . 1 56 56 LEU H H 1 8.087 0.003 . 1 . . 43 . . 56 LEU H . 50330 1 669 . 1 . 1 56 56 LEU HA H 1 3.998 0.009 . 1 . . 544 . . 56 LEU HA . 50330 1 670 . 1 . 1 56 56 LEU HB2 H 1 2.025 0.014 . 2 . . 545 . . 56 LEU HB2 . 50330 1 671 . 1 . 1 56 56 LEU HB3 H 1 1.113 0.019 . 2 . . 709 . . 56 LEU HB3 . 50330 1 672 . 1 . 1 56 56 LEU HG H 1 1.623 0.016 . 1 . . 708 . . 56 LEU HG . 50330 1 673 . 1 . 1 56 56 LEU HD11 H 1 0.565 0.027 . 2 . . 710 . . 56 LEU HD11 . 50330 1 674 . 1 . 1 56 56 LEU HD12 H 1 0.565 0.027 . 2 . . 710 . . 56 LEU HD12 . 50330 1 675 . 1 . 1 56 56 LEU HD13 H 1 0.565 0.027 . 2 . . 710 . . 56 LEU HD13 . 50330 1 676 . 1 . 1 56 56 LEU HD21 H 1 0.656 0.024 . 2 . . 789 . . 56 LEU HD21 . 50330 1 677 . 1 . 1 56 56 LEU HD22 H 1 0.656 0.024 . 2 . . 789 . . 56 LEU HD22 . 50330 1 678 . 1 . 1 56 56 LEU HD23 H 1 0.656 0.024 . 2 . . 789 . . 56 LEU HD23 . 50330 1 679 . 1 . 1 56 56 LEU C C 13 180.685 . . 1 . . 377 . . 56 LEU C . 50330 1 680 . 1 . 1 56 56 LEU CA C 13 58.648 0.036 . 1 . . 367 . . 56 LEU CA . 50330 1 681 . 1 . 1 56 56 LEU CB C 13 40.197 0.029 . 1 . . 368 . . 56 LEU CB . 50330 1 682 . 1 . 1 56 56 LEU CG C 13 26.860 0.004 . 1 . . 375 . . 56 LEU CG . 50330 1 683 . 1 . 1 56 56 LEU CD1 C 13 23.050 0.044 . 2 . . 376 . . 56 LEU CD1 . 50330 1 684 . 1 . 1 56 56 LEU CD2 C 13 26.866 0.02 . 2 . . 374 . . 56 LEU CD2 . 50330 1 685 . 1 . 1 56 56 LEU N N 15 118.137 0.032 . 1 . . 44 . . 56 LEU N . 50330 1 686 . 1 . 1 57 57 SER H H 1 8.402 0.01 . 1 . . 17 . . 57 SER H . 50330 1 687 . 1 . 1 57 57 SER HA H 1 4.146 0.038 . 1 . . 546 . . 57 SER HA . 50330 1 688 . 1 . 1 57 57 SER HB2 H 1 3.759 0.011 . 2 . . 790 . . 57 SER HB2 . 50330 1 689 . 1 . 1 57 57 SER HB3 H 1 3.682 0.016 . 2 . . 791 . . 57 SER HB3 . 50330 1 690 . 1 . 1 57 57 SER C C 13 178.260 . . 1 . . 380 . . 57 SER C . 50330 1 691 . 1 . 1 57 57 SER CA C 13 61.113 0.079 . 1 . . 372 . . 57 SER CA . 50330 1 692 . 1 . 1 57 57 SER CB C 13 62.330 0.051 . 1 . . 373 . . 57 SER CB . 50330 1 693 . 1 . 1 57 57 SER N N 15 113.445 0.037 . 1 . . 18 . . 57 SER N . 50330 1 694 . 1 . 1 58 58 ASP H H 1 7.902 0.003 . 1 . . 61 . . 58 ASP H . 50330 1 695 . 1 . 1 58 58 ASP HA H 1 4.233 0.004 . 1 . . 547 . . 58 ASP HA . 50330 1 696 . 1 . 1 58 58 ASP HB2 H 1 2.937 0.012 . 2 . . 548 . . 58 ASP HB2 . 50330 1 697 . 1 . 1 58 58 ASP HB3 H 1 2.202 0.008 . 2 . . 549 . . 58 ASP HB3 . 50330 1 698 . 1 . 1 58 58 ASP C C 13 177.492 . . 1 . . 383 . . 58 ASP C . 50330 1 699 . 1 . 1 58 58 ASP CA C 13 57.493 0.086 . 1 . . 378 . . 58 ASP CA . 50330 1 700 . 1 . 1 58 58 ASP CB C 13 40.212 0.03 . 1 . . 379 . . 58 ASP CB . 50330 1 701 . 1 . 1 58 58 ASP N N 15 124.907 0.05 . 1 . . 62 . . 58 ASP N . 50330 1 702 . 1 . 1 59 59 TYR H H 1 7.226 0.003 . 1 . . 49 . . 59 TYR H . 50330 1 703 . 1 . 1 59 59 TYR HA H 1 4.621 0.009 . 1 . . 550 . . 59 TYR HA . 50330 1 704 . 1 . 1 59 59 TYR HB2 H 1 3.404 0.013 . 2 . . 551 . . 59 TYR HB2 . 50330 1 705 . 1 . 1 59 59 TYR HB3 H 1 2.463 0.013 . 2 . . 552 . . 59 TYR HB3 . 50330 1 706 . 1 . 1 59 59 TYR HD1 H 1 7.185 0.0 . 1 . . 824 . . 59 TYR HD1 . 50330 1 707 . 1 . 1 59 59 TYR HD2 H 1 7.185 0.0 . 1 . . 824 . . 59 TYR HD2 . 50330 1 708 . 1 . 1 59 59 TYR HE1 H 1 6.820 . . 1 . . 825 . . 59 TYR HE1 . 50330 1 709 . 1 . 1 59 59 TYR HE2 H 1 6.820 . . 1 . . 825 . . 59 TYR HE2 . 50330 1 710 . 1 . 1 59 59 TYR C C 13 174.465 . . 1 . . 386 . . 59 TYR C . 50330 1 711 . 1 . 1 59 59 TYR CA C 13 58.264 0.083 . 1 . . 381 . . 59 TYR CA . 50330 1 712 . 1 . 1 59 59 TYR CB C 13 39.952 0.07 . 1 . . 382 . . 59 TYR CB . 50330 1 713 . 1 . 1 59 59 TYR N N 15 116.468 0.024 . 1 . . 50 . . 59 TYR N . 50330 1 714 . 1 . 1 60 60 SER H H 1 7.996 0.003 . 1 . . 63 . . 60 SER H . 50330 1 715 . 1 . 1 60 60 SER HA H 1 3.930 0.008 . 1 . . 711 . . 60 SER HA . 50330 1 716 . 1 . 1 60 60 SER HB2 H 1 4.082 0.008 . 1 . . 792 . . 60 SER HB2 . 50330 1 717 . 1 . 1 60 60 SER HB3 H 1 4.082 0.008 . 1 . . 793 . . 60 SER HB3 . 50330 1 718 . 1 . 1 60 60 SER C C 13 173.914 . . 1 . . 389 . . 60 SER C . 50330 1 719 . 1 . 1 60 60 SER CA C 13 58.834 0.059 . 1 . . 384 . . 60 SER CA . 50330 1 720 . 1 . 1 60 60 SER CB C 13 61.232 0.072 . 1 . . 385 . . 60 SER CB . 50330 1 721 . 1 . 1 60 60 SER N N 15 112.078 0.058 . 1 . . 64 . . 60 SER N . 50330 1 722 . 1 . 1 61 61 ILE H H 1 7.133 0.003 . 1 . . 23 . . 61 ILE H . 50330 1 723 . 1 . 1 61 61 ILE HA H 1 3.277 0.013 . 1 . . 553 . . 61 ILE HA . 50330 1 724 . 1 . 1 61 61 ILE HB H 1 1.289 0.014 . 1 . . 554 . . 61 ILE HB . 50330 1 725 . 1 . 1 61 61 ILE HG12 H 1 -0.439 0.01 . 2 . . 556 . . 61 ILE HG12 . 50330 1 726 . 1 . 1 61 61 ILE HG13 H 1 1.049 0.014 . 2 . . 712 . . 61 ILE HG13 . 50330 1 727 . 1 . 1 61 61 ILE HG21 H 1 0.404 0.011 . 1 . . 794 . . 61 ILE HG21 . 50330 1 728 . 1 . 1 61 61 ILE HG22 H 1 0.404 0.011 . 1 . . 794 . . 61 ILE HG22 . 50330 1 729 . 1 . 1 61 61 ILE HG23 H 1 0.404 0.011 . 1 . . 794 . . 61 ILE HG23 . 50330 1 730 . 1 . 1 61 61 ILE HD11 H 1 0.372 0.019 . 1 . . 555 . . 61 ILE HD11 . 50330 1 731 . 1 . 1 61 61 ILE HD12 H 1 0.372 0.019 . 1 . . 555 . . 61 ILE HD12 . 50330 1 732 . 1 . 1 61 61 ILE HD13 H 1 0.372 0.019 . 1 . . 555 . . 61 ILE HD13 . 50330 1 733 . 1 . 1 61 61 ILE C C 13 174.498 . . 1 . . 395 . . 61 ILE C . 50330 1 734 . 1 . 1 61 61 ILE CA C 13 62.142 0.03 . 1 . . 387 . . 61 ILE CA . 50330 1 735 . 1 . 1 61 61 ILE CB C 13 36.714 0.041 . 1 . . 388 . . 61 ILE CB . 50330 1 736 . 1 . 1 61 61 ILE CG1 C 13 28.330 0.081 . 1 . . 392 . . 61 ILE CG1 . 50330 1 737 . 1 . 1 61 61 ILE CG2 C 13 17.179 0.011 . 1 . . 393 . . 61 ILE CG2 . 50330 1 738 . 1 . 1 61 61 ILE CD1 C 13 14.347 0.007 . 1 . . 394 . . 61 ILE CD1 . 50330 1 739 . 1 . 1 61 61 ILE N N 15 120.235 0.047 . 1 . . 24 . . 61 ILE N . 50330 1 740 . 1 . 1 62 62 GLN H H 1 7.667 0.022 . 1 . . 53 . . 62 GLN H . 50330 1 741 . 1 . 1 62 62 GLN HA H 1 4.430 0.029 . 1 . . 557 . . 62 GLN HA . 50330 1 742 . 1 . 1 62 62 GLN HB2 H 1 1.858 0.01 . 2 . . 560 . . 62 GLN HB2 . 50330 1 743 . 1 . 1 62 62 GLN HB3 H 1 1.865 0.013 . 2 . . 561 . . 62 GLN HB3 . 50330 1 744 . 1 . 1 62 62 GLN HG2 H 1 2.289 0.018 . 2 . . 558 . . 62 GLN HG2 . 50330 1 745 . 1 . 1 62 62 GLN HG3 H 1 2.289 0.018 . 2 . . 559 . . 62 GLN HG3 . 50330 1 746 . 1 . 1 62 62 GLN HE21 H 1 7.822 0.0 . 1 . . 811 . . 62 GLN HE21 . 50330 1 747 . 1 . 1 62 62 GLN HE22 H 1 6.809 0.001 . 1 . . 813 . . 62 GLN HE22 . 50330 1 748 . 1 . 1 62 62 GLN C C 13 175.612 . . 1 . . 399 . . 62 GLN C . 50330 1 749 . 1 . 1 62 62 GLN CA C 13 53.499 0.039 . 1 . . 390 . . 62 GLN CA . 50330 1 750 . 1 . 1 62 62 GLN CB C 13 31.349 0.223 . 1 . . 391 . . 62 GLN CB . 50330 1 751 . 1 . 1 62 62 GLN CG C 13 33.408 0.097 . 1 . . 398 . . 62 GLN CG . 50330 1 752 . 1 . 1 62 62 GLN N N 15 125.129 0.048 . 1 . . 54 . . 62 GLN N . 50330 1 753 . 1 . 1 62 62 GLN NE2 N 15 109.948 0.002 . 1 . . 812 . . 62 GLN NE2 . 50330 1 754 . 1 . 1 63 63 LYS H H 1 8.394 0.003 . 1 . . 89 . . 63 LYS H . 50330 1 755 . 1 . 1 63 63 LYS HA H 1 3.918 0.012 . 1 . . 562 . . 63 LYS HA . 50330 1 756 . 1 . 1 63 63 LYS HB2 H 1 1.899 0.019 . 2 . . 715 . . 63 LYS HB2 . 50330 1 757 . 1 . 1 63 63 LYS HB3 H 1 1.893 0.022 . 2 . . 716 . . 63 LYS HB3 . 50330 1 758 . 1 . 1 63 63 LYS HG2 H 1 1.403 0.02 . 1 . . 719 . . 63 LYS HG2 . 50330 1 759 . 1 . 1 63 63 LYS HG3 H 1 1.403 0.02 . 1 . . 720 . . 63 LYS HG3 . 50330 1 760 . 1 . 1 63 63 LYS HD2 H 1 1.690 0.017 . 1 . . 717 . . 63 LYS HD2 . 50330 1 761 . 1 . 1 63 63 LYS HD3 H 1 1.690 0.017 . 1 . . 718 . . 63 LYS HD3 . 50330 1 762 . 1 . 1 63 63 LYS HE2 H 1 2.949 0.006 . 2 . . 713 . . 63 LYS HE2 . 50330 1 763 . 1 . 1 63 63 LYS HE3 H 1 2.949 0.006 . 2 . . 714 . . 63 LYS HE3 . 50330 1 764 . 1 . 1 63 63 LYS C C 13 175.616 . . 1 . . 405 . . 63 LYS C . 50330 1 765 . 1 . 1 63 63 LYS CA C 13 57.605 0.049 . 1 . . 396 . . 63 LYS CA . 50330 1 766 . 1 . 1 63 63 LYS CB C 13 32.589 0.056 . 1 . . 397 . . 63 LYS CB . 50330 1 767 . 1 . 1 63 63 LYS CG C 13 23.907 0.033 . 1 . . 403 . . 63 LYS CG . 50330 1 768 . 1 . 1 63 63 LYS CD C 13 29.744 0.02 . 1 . . 402 . . 63 LYS CD . 50330 1 769 . 1 . 1 63 63 LYS CE C 13 41.811 0.071 . 1 . . 404 . . 63 LYS CE . 50330 1 770 . 1 . 1 63 63 LYS N N 15 120.534 0.043 . 1 . . 90 . . 63 LYS N . 50330 1 771 . 1 . 1 64 64 GLU H H 1 9.365 0.005 . 1 . . 77 . . 64 GLU H . 50330 1 772 . 1 . 1 64 64 GLU HA H 1 3.133 0.009 . 1 . . 721 . . 64 GLU HA . 50330 1 773 . 1 . 1 64 64 GLU HB2 H 1 2.444 0.031 . 2 . . 722 . . 64 GLU HB2 . 50330 1 774 . 1 . 1 64 64 GLU HB3 H 1 2.298 0.041 . 2 . . 724 . . 64 GLU HB3 . 50330 1 775 . 1 . 1 64 64 GLU HG2 H 1 2.080 0.016 . 2 . . 723 . . 64 GLU HG2 . 50330 1 776 . 1 . 1 64 64 GLU HG3 H 1 2.084 0.019 . 2 . . 795 . . 64 GLU HG3 . 50330 1 777 . 1 . 1 64 64 GLU C C 13 175.024 . . 1 . . 409 . . 64 GLU C . 50330 1 778 . 1 . 1 64 64 GLU CA C 13 58.357 0.068 . 1 . . 400 . . 64 GLU CA . 50330 1 779 . 1 . 1 64 64 GLU CB C 13 25.758 0.104 . 1 . . 401 . . 64 GLU CB . 50330 1 780 . 1 . 1 64 64 GLU CG C 13 37.676 0.015 . 1 . . 408 . . 64 GLU CG . 50330 1 781 . 1 . 1 64 64 GLU N N 15 115.056 0.03 . 1 . . 78 . . 64 GLU N . 50330 1 782 . 1 . 1 65 65 SER H H 1 7.592 0.002 . 1 . . 99 . . 65 SER H . 50330 1 783 . 1 . 1 65 65 SER HA H 1 4.562 0.011 . 1 . . 563 . . 65 SER HA . 50330 1 784 . 1 . 1 65 65 SER HB2 H 1 3.854 0.021 . 2 . . 564 . . 65 SER HB2 . 50330 1 785 . 1 . 1 65 65 SER HB3 H 1 3.566 0.02 . 2 . . 565 . . 65 SER HB3 . 50330 1 786 . 1 . 1 65 65 SER C C 13 171.857 . . 1 . . 412 . . 65 SER C . 50330 1 787 . 1 . 1 65 65 SER CA C 13 60.710 0.063 . 1 . . 406 . . 65 SER CA . 50330 1 788 . 1 . 1 65 65 SER CB C 13 64.779 0.048 . 1 . . 407 . . 65 SER CB . 50330 1 789 . 1 . 1 65 65 SER N N 15 114.981 0.028 . 1 . . 100 . . 65 SER N . 50330 1 790 . 1 . 1 66 66 THR H H 1 8.645 0.002 . 1 . . 73 . . 66 THR H . 50330 1 791 . 1 . 1 66 66 THR HA H 1 5.196 0.022 . 1 . . 566 . . 66 THR HA . 50330 1 792 . 1 . 1 66 66 THR HB H 1 3.985 0.004 . 1 . . 567 . . 66 THR HB . 50330 1 793 . 1 . 1 66 66 THR HG21 H 1 0.843 0.023 . 1 . . 568 . . 66 THR HG21 . 50330 1 794 . 1 . 1 66 66 THR HG22 H 1 0.843 0.023 . 1 . . 568 . . 66 THR HG22 . 50330 1 795 . 1 . 1 66 66 THR HG23 H 1 0.843 0.023 . 1 . . 568 . . 66 THR HG23 . 50330 1 796 . 1 . 1 66 66 THR C C 13 173.508 . . 1 . . 416 . . 66 THR C . 50330 1 797 . 1 . 1 66 66 THR CA C 13 62.355 0.05 . 1 . . 410 . . 66 THR CA . 50330 1 798 . 1 . 1 66 66 THR CB C 13 70.068 0.095 . 1 . . 411 . . 66 THR CB . 50330 1 799 . 1 . 1 66 66 THR CG2 C 13 21.250 0.056 . 1 . . 415 . . 66 THR CG2 . 50330 1 800 . 1 . 1 66 66 THR N N 15 117.607 0.027 . 1 . . 74 . . 66 THR N . 50330 1 801 . 1 . 1 67 67 LEU H H 1 9.374 0.007 . 1 . . 15 . . 67 LEU H . 50330 1 802 . 1 . 1 67 67 LEU HA H 1 5.000 0.016 . 1 . . 569 . . 67 LEU HA . 50330 1 803 . 1 . 1 67 67 LEU HB2 H 1 1.579 0.015 . 2 . . 570 . . 67 LEU HB2 . 50330 1 804 . 1 . 1 67 67 LEU HB3 H 1 1.579 0.016 . 2 . . 571 . . 67 LEU HB3 . 50330 1 805 . 1 . 1 67 67 LEU HG H 1 1.708 0.013 . 1 . . 796 . . 67 LEU HG . 50330 1 806 . 1 . 1 67 67 LEU HD11 H 1 0.608 0.01 . 2 . . 725 . . 67 LEU HD11 . 50330 1 807 . 1 . 1 67 67 LEU HD12 H 1 0.608 0.01 . 2 . . 725 . . 67 LEU HD12 . 50330 1 808 . 1 . 1 67 67 LEU HD13 H 1 0.608 0.01 . 2 . . 725 . . 67 LEU HD13 . 50330 1 809 . 1 . 1 67 67 LEU HD21 H 1 0.628 0.016 . 2 . . 726 . . 67 LEU HD21 . 50330 1 810 . 1 . 1 67 67 LEU HD22 H 1 0.628 0.016 . 2 . . 726 . . 67 LEU HD22 . 50330 1 811 . 1 . 1 67 67 LEU HD23 H 1 0.628 0.016 . 2 . . 726 . . 67 LEU HD23 . 50330 1 812 . 1 . 1 67 67 LEU C C 13 175.005 . . 1 . . 422 . . 67 LEU C . 50330 1 813 . 1 . 1 67 67 LEU CA C 13 53.638 0.036 . 1 . . 413 . . 67 LEU CA . 50330 1 814 . 1 . 1 67 67 LEU CB C 13 44.250 0.064 . 1 . . 414 . . 67 LEU CB . 50330 1 815 . 1 . 1 67 67 LEU CG C 13 29.473 0.014 . 1 . . 419 . . 67 LEU CG . 50330 1 816 . 1 . 1 67 67 LEU CD1 C 13 24.934 0.015 . 2 . . 420 . . 67 LEU CD1 . 50330 1 817 . 1 . 1 67 67 LEU CD2 C 13 24.923 0.014 . 2 . . 421 . . 67 LEU CD2 . 50330 1 818 . 1 . 1 67 67 LEU N N 15 128.048 0.026 . 1 . . 16 . . 67 LEU N . 50330 1 819 . 1 . 1 68 68 HIS H H 1 9.155 0.011 . 1 . . 65 . . 68 HIS H . 50330 1 820 . 1 . 1 68 68 HIS HA H 1 5.017 0.008 . 1 . . 572 . . 68 HIS HA . 50330 1 821 . 1 . 1 68 68 HIS HB2 H 1 2.760 0.009 . 2 . . 573 . . 68 HIS HB2 . 50330 1 822 . 1 . 1 68 68 HIS HB3 H 1 2.934 0.024 . 2 . . 598 . . 68 HIS HB3 . 50330 1 823 . 1 . 1 68 68 HIS C C 13 173.920 . . 1 . . 425 . . 68 HIS C . 50330 1 824 . 1 . 1 68 68 HIS CA C 13 56.324 0.051 . 1 . . 417 . . 68 HIS CA . 50330 1 825 . 1 . 1 68 68 HIS CB C 13 32.684 0.046 . 1 . . 418 . . 68 HIS CB . 50330 1 826 . 1 . 1 68 68 HIS N N 15 119.702 0.09 . 1 . . 66 . . 68 HIS N . 50330 1 827 . 1 . 1 69 69 LEU H H 1 8.170 0.015 . 1 . . 93 . . 69 LEU H . 50330 1 828 . 1 . 1 69 69 LEU HA H 1 5.071 0.016 . 1 . . 574 . . 69 LEU HA . 50330 1 829 . 1 . 1 69 69 LEU HB2 H 1 1.564 0.011 . 2 . . 575 . . 69 LEU HB2 . 50330 1 830 . 1 . 1 69 69 LEU HB3 H 1 1.041 0.013 . 2 . . 728 . . 69 LEU HB3 . 50330 1 831 . 1 . 1 69 69 LEU HG H 1 1.280 0.026 . 1 . . 727 . . 69 LEU HG . 50330 1 832 . 1 . 1 69 69 LEU HD11 H 1 0.803 0.008 . 2 . . 797 . . 69 LEU HD11 . 50330 1 833 . 1 . 1 69 69 LEU HD12 H 1 0.803 0.008 . 2 . . 797 . . 69 LEU HD12 . 50330 1 834 . 1 . 1 69 69 LEU HD13 H 1 0.803 0.008 . 2 . . 797 . . 69 LEU HD13 . 50330 1 835 . 1 . 1 69 69 LEU HD21 H 1 0.701 0.015 . 2 . . 798 . . 69 LEU HD21 . 50330 1 836 . 1 . 1 69 69 LEU HD22 H 1 0.701 0.015 . 2 . . 798 . . 69 LEU HD22 . 50330 1 837 . 1 . 1 69 69 LEU HD23 H 1 0.701 0.015 . 2 . . 798 . . 69 LEU HD23 . 50330 1 838 . 1 . 1 69 69 LEU C C 13 175.413 . . 1 . . 431 . . 69 LEU C . 50330 1 839 . 1 . 1 69 69 LEU CA C 13 53.623 0.025 . 1 . . 423 . . 69 LEU CA . 50330 1 840 . 1 . 1 69 69 LEU CB C 13 44.181 0.07 . 1 . . 424 . . 69 LEU CB . 50330 1 841 . 1 . 1 69 69 LEU CG C 13 27.418 0.01 . 1 . . 428 . . 69 LEU CG . 50330 1 842 . 1 . 1 69 69 LEU CD1 C 13 23.933 0.004 . 2 . . 430 . . 69 LEU CD1 . 50330 1 843 . 1 . 1 69 69 LEU CD2 C 13 26.235 0.064 . 2 . . 429 . . 69 LEU CD2 . 50330 1 844 . 1 . 1 69 69 LEU N N 15 123.595 0.041 . 1 . . 94 . . 69 LEU N . 50330 1 845 . 1 . 1 70 70 VAL H H 1 9.132 0.018 . 1 . . 25 . . 70 VAL H . 50330 1 846 . 1 . 1 70 70 VAL HA H 1 4.325 0.006 . 1 . . 576 . . 70 VAL HA . 50330 1 847 . 1 . 1 70 70 VAL HB H 1 1.992 0.014 . 1 . . 577 . . 70 VAL HB . 50330 1 848 . 1 . 1 70 70 VAL HG11 H 1 0.768 0.022 . 2 . . 578 . . 70 VAL HG11 . 50330 1 849 . 1 . 1 70 70 VAL HG12 H 1 0.768 0.022 . 2 . . 578 . . 70 VAL HG12 . 50330 1 850 . 1 . 1 70 70 VAL HG13 H 1 0.768 0.022 . 2 . . 578 . . 70 VAL HG13 . 50330 1 851 . 1 . 1 70 70 VAL HG21 H 1 0.868 0.023 . 2 . . 579 . . 70 VAL HG21 . 50330 1 852 . 1 . 1 70 70 VAL HG22 H 1 0.868 0.023 . 2 . . 579 . . 70 VAL HG22 . 50330 1 853 . 1 . 1 70 70 VAL HG23 H 1 0.868 0.023 . 2 . . 579 . . 70 VAL HG23 . 50330 1 854 . 1 . 1 70 70 VAL C C 13 174.002 . . 1 . . 436 . . 70 VAL C . 50330 1 855 . 1 . 1 70 70 VAL CA C 13 60.259 0.065 . 1 . . 426 . . 70 VAL CA . 50330 1 856 . 1 . 1 70 70 VAL CB C 13 34.731 0.047 . 1 . . 427 . . 70 VAL CB . 50330 1 857 . 1 . 1 70 70 VAL CG1 C 13 20.391 0.023 . 2 . . 435 . . 70 VAL CG1 . 50330 1 858 . 1 . 1 70 70 VAL CG2 C 13 21.431 0.014 . 2 . . 434 . . 70 VAL CG2 . 50330 1 859 . 1 . 1 70 70 VAL N N 15 126.033 0.027 . 1 . . 26 . . 70 VAL N . 50330 1 860 . 1 . 1 71 71 LEU H H 1 8.030 0.005 . 1 . . 95 . . 71 LEU H . 50330 1 861 . 1 . 1 71 71 LEU HA H 1 4.866 0.022 . 1 . . 580 . . 71 LEU HA . 50330 1 862 . 1 . 1 71 71 LEU HB2 H 1 1.566 0.014 . 2 . . 581 . . 71 LEU HB2 . 50330 1 863 . 1 . 1 71 71 LEU HB3 H 1 1.571 0.008 . 2 . . 799 . . 71 LEU HB3 . 50330 1 864 . 1 . 1 71 71 LEU HG H 1 1.576 0.02 . 1 . . 582 . . 71 LEU HG . 50330 1 865 . 1 . 1 71 71 LEU HD11 H 1 0.882 0.013 . 2 . . 800 . . 71 LEU HD11 . 50330 1 866 . 1 . 1 71 71 LEU HD12 H 1 0.882 0.013 . 2 . . 800 . . 71 LEU HD12 . 50330 1 867 . 1 . 1 71 71 LEU HD13 H 1 0.882 0.013 . 2 . . 800 . . 71 LEU HD13 . 50330 1 868 . 1 . 1 71 71 LEU HD21 H 1 0.803 0.012 . 2 . . 801 . . 71 LEU HD21 . 50330 1 869 . 1 . 1 71 71 LEU HD22 H 1 0.803 0.012 . 2 . . 801 . . 71 LEU HD22 . 50330 1 870 . 1 . 1 71 71 LEU HD23 H 1 0.803 0.012 . 2 . . 801 . . 71 LEU HD23 . 50330 1 871 . 1 . 1 71 71 LEU C C 13 177.500 . . 1 . . 442 . . 71 LEU C . 50330 1 872 . 1 . 1 71 71 LEU CA C 13 53.913 0.072 . 1 . . 432 . . 71 LEU CA . 50330 1 873 . 1 . 1 71 71 LEU CB C 13 42.814 0.025 . 1 . . 433 . . 71 LEU CB . 50330 1 874 . 1 . 1 71 71 LEU CG C 13 27.442 0.007 . 1 . . 439 . . 71 LEU CG . 50330 1 875 . 1 . 1 71 71 LEU CD1 C 13 24.867 0.021 . 2 . . 440 . . 71 LEU CD1 . 50330 1 876 . 1 . 1 71 71 LEU CD2 C 13 23.838 0.022 . 2 . . 441 . . 71 LEU CD2 . 50330 1 877 . 1 . 1 71 71 LEU N N 15 122.976 0.042 . 1 . . 96 . . 71 LEU N . 50330 1 878 . 1 . 1 72 72 ARG H H 1 8.481 0.004 . 1 . . 133 . . 72 ARG H . 50330 1 879 . 1 . 1 72 72 ARG HA H 1 4.186 0.017 . 1 . . 583 . . 72 ARG HA . 50330 1 880 . 1 . 1 72 72 ARG HB2 H 1 1.648 0.053 . 2 . . 584 . . 72 ARG HB2 . 50330 1 881 . 1 . 1 72 72 ARG HB3 H 1 1.422 0.007 . 2 . . 731 . . 72 ARG HB3 . 50330 1 882 . 1 . 1 72 72 ARG HG2 H 1 1.465 0.005 . 2 . . 802 . . 72 ARG HG2 . 50330 1 883 . 1 . 1 72 72 ARG HG3 H 1 1.465 0.005 . 2 . . 803 . . 72 ARG HG3 . 50330 1 884 . 1 . 1 72 72 ARG HD2 H 1 3.028 0.019 . 2 . . 729 . . 72 ARG HD2 . 50330 1 885 . 1 . 1 72 72 ARG HD3 H 1 3.027 0.019 . 2 . . 730 . . 72 ARG HD3 . 50330 1 886 . 1 . 1 72 72 ARG C C 13 175.244 . . 1 . . 447 . . 72 ARG C . 50330 1 887 . 1 . 1 72 72 ARG CA C 13 55.551 0.079 . 1 . . 438 . . 72 ARG CA . 50330 1 888 . 1 . 1 72 72 ARG CB C 13 31.071 0.053 . 1 . . 437 . . 72 ARG CB . 50330 1 889 . 1 . 1 72 72 ARG CG C 13 27.384 0.008 . 1 . . 446 . . 72 ARG CG . 50330 1 890 . 1 . 1 72 72 ARG CD C 13 43.362 0.009 . 1 . . 445 . . 72 ARG CD . 50330 1 891 . 1 . 1 72 72 ARG N N 15 123.752 0.027 . 1 . . 134 . . 72 ARG N . 50330 1 892 . 1 . 1 73 73 LEU H H 1 8.252 0.002 . 1 . . 29 . . 73 LEU H . 50330 1 893 . 1 . 1 73 73 LEU HA H 1 4.315 0.024 . 1 . . 585 . . 73 LEU HA . 50330 1 894 . 1 . 1 73 73 LEU HB2 H 1 1.463 0.015 . 2 . . 804 . . 73 LEU HB2 . 50330 1 895 . 1 . 1 73 73 LEU HB3 H 1 1.464 0.015 . 2 . . 805 . . 73 LEU HB3 . 50330 1 896 . 1 . 1 73 73 LEU HG H 1 1.502 0.011 . 1 . . 732 . . 73 LEU HG . 50330 1 897 . 1 . 1 73 73 LEU HD11 H 1 0.769 0.008 . 2 . . 806 . . 73 LEU HD11 . 50330 1 898 . 1 . 1 73 73 LEU HD12 H 1 0.769 0.008 . 2 . . 806 . . 73 LEU HD12 . 50330 1 899 . 1 . 1 73 73 LEU HD13 H 1 0.769 0.008 . 2 . . 806 . . 73 LEU HD13 . 50330 1 900 . 1 . 1 73 73 LEU HD21 H 1 0.815 0.009 . 2 . . 807 . . 73 LEU HD21 . 50330 1 901 . 1 . 1 73 73 LEU HD22 H 1 0.815 0.009 . 2 . . 807 . . 73 LEU HD22 . 50330 1 902 . 1 . 1 73 73 LEU HD23 H 1 0.815 0.009 . 2 . . 807 . . 73 LEU HD23 . 50330 1 903 . 1 . 1 73 73 LEU C C 13 177.208 . . 1 . . 451 . . 73 LEU C . 50330 1 904 . 1 . 1 73 73 LEU CA C 13 54.663 0.051 . 1 . . 443 . . 73 LEU CA . 50330 1 905 . 1 . 1 73 73 LEU CB C 13 42.391 0.022 . 1 . . 444 . . 73 LEU CB . 50330 1 906 . 1 . 1 73 73 LEU CG C 13 26.926 0.008 . 1 . . 448 . . 73 LEU CG . 50330 1 907 . 1 . 1 73 73 LEU CD1 C 13 23.377 0.036 . 2 . . 450 . . 73 LEU CD1 . 50330 1 908 . 1 . 1 73 73 LEU CD2 C 13 24.891 0.024 . 2 . . 449 . . 73 LEU CD2 . 50330 1 909 . 1 . 1 73 73 LEU N N 15 124.344 0.064 . 1 . . 30 . . 73 LEU N . 50330 1 910 . 1 . 1 74 74 ARG H H 1 8.384 0.002 . 1 . . 67 . . 74 ARG H . 50330 1 911 . 1 . 1 74 74 ARG N N 15 122.019 0.033 . 1 . . 68 . . 74 ARG N . 50330 1 912 . 1 . 1 75 75 GLY HA2 H 1 3.921 0.023 . 2 . . 599 . . 75 GLY HA2 . 50330 1 913 . 1 . 1 75 75 GLY HA3 H 1 3.921 0.023 . 2 . . 600 . . 75 GLY HA3 . 50330 1 914 . 1 . 1 75 75 GLY C C 13 174.513 . . 1 . . 453 . . 75 GLY C . 50330 1 915 . 1 . 1 75 75 GLY CA C 13 45.272 0.111 . 1 . . 452 . . 75 GLY CA . 50330 1 916 . 1 . 1 76 76 GLY H H 1 8.302 0.005 . 1 . . 135 . . 76 GLY H . 50330 1 917 . 1 . 1 76 76 GLY HA2 H 1 3.913 0.01 . 2 . . 601 . . 76 GLY HA2 . 50330 1 918 . 1 . 1 76 76 GLY HA3 H 1 3.913 0.01 . 2 . . 602 . . 76 GLY HA3 . 50330 1 919 . 1 . 1 76 76 GLY C C 13 174.179 . . 1 . . 455 . . 76 GLY C . 50330 1 920 . 1 . 1 76 76 GLY CA C 13 45.177 0.074 . 1 . . 454 . . 76 GLY CA . 50330 1 921 . 1 . 1 76 76 GLY N N 15 108.888 0.026 . 1 . . 136 . . 76 GLY N . 50330 1 stop_ save_