data_51184 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51184 _Entry.Title ; 1H, 13C, and 15N backbone resonance assignments of a conserved putative cell wall binding domain from Enterococcus faecalis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-21 _Entry.Accession_date 2021-11-21 _Entry.Last_release_date 2021-11-22 _Entry.Original_release_date 2021-11-22 _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 'Final repeat of six in the C-terminus of the muramidase AtlE' _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 Jessica Davis . L. . 0000-0002-3179-0098 51184 2 Andrea Hounslow . M. . . 51184 3 Nicola Baxter . J. . . 51184 4 Stephane Mesnage . . . 0000-0003-1648-4890 51184 5 Mike Williamson . P. . 0000-0001-5572-1903 51184 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51184 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 325 51184 '15N chemical shifts' 88 51184 '1H chemical shifts' 556 51184 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-09-28 2021-03-01 update BMRB 'update entry citation' 51184 1 . . 2022-06-08 2021-03-01 original author 'original release' 51184 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51184 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35665899 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments of a conserved putative cell wall binding domain from Enterococcus faecalis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 2 _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 247 _Citation.Page_last 251 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jessica Davis . L. . . 51184 1 2 Andrea Hounslow . M. . . 51184 1 3 Nicola Baxter . J. . . 51184 1 4 Stephane Mesnage . . . . 51184 1 5 Mike Williamson . P. . . 51184 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Peptidoglycan, hydrolase, E. faecalis, AtlE, R6, OG1RF' 51184 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51184 _Assembly.ID 1 _Assembly.Name 'AtlE C-terminal repeat 6' _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 9937.21 _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 R6 1 $entity_1 . . yes native no no . . . 51184 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51184 _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 ; MAAISNIDNYYTENPVKIVM LVNDRYYTDLEFKTPGSPVK KGTTIRVQGIEYSKNGYPRL KTSQGYITSNKRYVQKVNGS HHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residue A2 corresponds to position 742 of the primary sequence in the full length protein.' _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 86 _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 'Predicted carbohydrate binding' 51184 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 . 51184 1 2 . ALA . 51184 1 3 . ALA . 51184 1 4 . ILE . 51184 1 5 . SER . 51184 1 6 . ASN . 51184 1 7 . ILE . 51184 1 8 . ASP . 51184 1 9 . ASN . 51184 1 10 . TYR . 51184 1 11 . TYR . 51184 1 12 . THR . 51184 1 13 . GLU . 51184 1 14 . ASN . 51184 1 15 . PRO . 51184 1 16 . VAL . 51184 1 17 . LYS . 51184 1 18 . ILE . 51184 1 19 . VAL . 51184 1 20 . MET . 51184 1 21 . LEU . 51184 1 22 . VAL . 51184 1 23 . ASN . 51184 1 24 . ASP . 51184 1 25 . ARG . 51184 1 26 . TYR . 51184 1 27 . TYR . 51184 1 28 . THR . 51184 1 29 . ASP . 51184 1 30 . LEU . 51184 1 31 . GLU . 51184 1 32 . PHE . 51184 1 33 . LYS . 51184 1 34 . THR . 51184 1 35 . PRO . 51184 1 36 . GLY . 51184 1 37 . SER . 51184 1 38 . PRO . 51184 1 39 . VAL . 51184 1 40 . LYS . 51184 1 41 . LYS . 51184 1 42 . GLY . 51184 1 43 . THR . 51184 1 44 . THR . 51184 1 45 . ILE . 51184 1 46 . ARG . 51184 1 47 . VAL . 51184 1 48 . GLN . 51184 1 49 . GLY . 51184 1 50 . ILE . 51184 1 51 . GLU . 51184 1 52 . TYR . 51184 1 53 . SER . 51184 1 54 . LYS . 51184 1 55 . ASN . 51184 1 56 . GLY . 51184 1 57 . TYR . 51184 1 58 . PRO . 51184 1 59 . ARG . 51184 1 60 . LEU . 51184 1 61 . LYS . 51184 1 62 . THR . 51184 1 63 . SER . 51184 1 64 . GLN . 51184 1 65 . GLY . 51184 1 66 . TYR . 51184 1 67 . ILE . 51184 1 68 . THR . 51184 1 69 . SER . 51184 1 70 . ASN . 51184 1 71 . LYS . 51184 1 72 . ARG . 51184 1 73 . TYR . 51184 1 74 . VAL . 51184 1 75 . GLN . 51184 1 76 . LYS . 51184 1 77 . VAL . 51184 1 78 . ASN . 51184 1 79 . GLY . 51184 1 80 . SER . 51184 1 81 . HIS . 51184 1 82 . HIS . 51184 1 83 . HIS . 51184 1 84 . HIS . 51184 1 85 . HIS . 51184 1 86 . HIS . 51184 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 51184 1 . ALA 2 2 51184 1 . ALA 3 3 51184 1 . ILE 4 4 51184 1 . SER 5 5 51184 1 . ASN 6 6 51184 1 . ILE 7 7 51184 1 . ASP 8 8 51184 1 . ASN 9 9 51184 1 . TYR 10 10 51184 1 . TYR 11 11 51184 1 . THR 12 12 51184 1 . GLU 13 13 51184 1 . ASN 14 14 51184 1 . PRO 15 15 51184 1 . VAL 16 16 51184 1 . LYS 17 17 51184 1 . ILE 18 18 51184 1 . VAL 19 19 51184 1 . MET 20 20 51184 1 . LEU 21 21 51184 1 . VAL 22 22 51184 1 . ASN 23 23 51184 1 . ASP 24 24 51184 1 . ARG 25 25 51184 1 . TYR 26 26 51184 1 . TYR 27 27 51184 1 . THR 28 28 51184 1 . ASP 29 29 51184 1 . LEU 30 30 51184 1 . GLU 31 31 51184 1 . PHE 32 32 51184 1 . LYS 33 33 51184 1 . THR 34 34 51184 1 . PRO 35 35 51184 1 . GLY 36 36 51184 1 . SER 37 37 51184 1 . PRO 38 38 51184 1 . VAL 39 39 51184 1 . LYS 40 40 51184 1 . LYS 41 41 51184 1 . GLY 42 42 51184 1 . THR 43 43 51184 1 . THR 44 44 51184 1 . ILE 45 45 51184 1 . ARG 46 46 51184 1 . VAL 47 47 51184 1 . GLN 48 48 51184 1 . GLY 49 49 51184 1 . ILE 50 50 51184 1 . GLU 51 51 51184 1 . TYR 52 52 51184 1 . SER 53 53 51184 1 . LYS 54 54 51184 1 . ASN 55 55 51184 1 . GLY 56 56 51184 1 . TYR 57 57 51184 1 . PRO 58 58 51184 1 . ARG 59 59 51184 1 . LEU 60 60 51184 1 . LYS 61 61 51184 1 . THR 62 62 51184 1 . SER 63 63 51184 1 . GLN 64 64 51184 1 . GLY 65 65 51184 1 . TYR 66 66 51184 1 . ILE 67 67 51184 1 . THR 68 68 51184 1 . SER 69 69 51184 1 . ASN 70 70 51184 1 . LYS 71 71 51184 1 . ARG 72 72 51184 1 . TYR 73 73 51184 1 . VAL 74 74 51184 1 . GLN 75 75 51184 1 . LYS 76 76 51184 1 . VAL 77 77 51184 1 . ASN 78 78 51184 1 . GLY 79 79 51184 1 . SER 80 80 51184 1 . HIS 81 81 51184 1 . HIS 82 82 51184 1 . HIS 83 83 51184 1 . HIS 84 84 51184 1 . HIS 85 85 51184 1 . HIS 86 86 51184 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 51184 _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 . 1351 organism . 'Enterococcus faecalis' 'Enterococcus faecalis' . . Bacteria . Enterococcus faecalis OG1RF . . . . . . . . . . AtlE . 51184 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 51184 _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 LEMO . . plasmid . . pET2818 . . . 51184 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51184 _Sample.ID 1 _Sample.Name 'AtlE C-terminal repeat 6' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'AtlE C-terminal repeat 6' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51184 1 2 'Phosphate buffer' 'natural abundance' . . . . . . 40 . . mM . . . . 51184 1 3 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 51184 1 4 TSP 'natural abundance' . . . . . . 1 . . mM . . . . 51184 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51184 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 51184 1 pressure 1 . atm 51184 1 temperature 298 . K 51184 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51184 _Software.ID 1 _Software.Type . _Software.Name FELIX _Software.Version 2007 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 51184 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51184 _Software.ID 2 _Software.Type . _Software.Name ASSTOOLS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51184 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51184 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51184 3 processing . 51184 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 51184 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 51184 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51184 1 2 '3D HCCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51184 1 3 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51184 1 4 '3D HNCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51184 1 5 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51184 1 6 '3D HNCOCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51184 1 7 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51184 1 8 '3D HNCOCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51184 1 9 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51184 1 10 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51184 1 11 '3D CCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51184 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 51184 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51184 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51184 1 N 15 'ammonium nitrate' nitrogen . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51184 1 P 31 na na . . . . na 0 na indirect 1 . . . . . 51184 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 51184 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name R6_NMR_shifts _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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' . . . 51184 1 2 '3D HCCH-TOCSY' . . . 51184 1 3 '3D HNCO' . . . 51184 1 4 '3D HNCACO' . . . 51184 1 5 '3D HNCA' . . . 51184 1 6 '3D HNCOCA' . . . 51184 1 7 '3D HNCACB' . . . 51184 1 8 '3D HNCOCACB' . . . 51184 1 9 '3D HBHA(CO)NH' . . . 51184 1 10 '2D 1H-13C HSQC' . . . 51184 1 11 '3D CCH-TOCSY' . . . 51184 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 2 $software_2 . . 51184 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA HA H 1 3.918 0.005 . 1 . . . . . 2 ALA HA . 51184 1 2 . 1 . 1 2 2 ALA HB1 H 1 1.366 0.005 . 1 . . . . . 2 ALA MB . 51184 1 3 . 1 . 1 2 2 ALA HB2 H 1 1.366 0.005 . 1 . . . . . 2 ALA MB . 51184 1 4 . 1 . 1 2 2 ALA HB3 H 1 1.366 0.005 . 1 . . . . . 2 ALA MB . 51184 1 5 . 1 . 1 2 2 ALA C C 13 173.396 0.050 . 1 . . . . . 2 ALA C . 51184 1 6 . 1 . 1 2 2 ALA CA C 13 51.822 0.050 . 1 . . . . . 2 ALA CA . 51184 1 7 . 1 . 1 2 2 ALA CB C 13 19.442 0.050 . 1 . . . . . 2 ALA CB . 51184 1 8 . 1 . 1 3 3 ALA H H 1 8.555 0.005 . 1 . . . . . 3 ALA H . 51184 1 9 . 1 . 1 3 3 ALA HA H 1 4.266 0.005 . 1 . . . . . 3 ALA HA . 51184 1 10 . 1 . 1 3 3 ALA HB1 H 1 1.220 0.005 . 1 . . . . . 3 ALA MB . 51184 1 11 . 1 . 1 3 3 ALA HB2 H 1 1.220 0.005 . 1 . . . . . 3 ALA MB . 51184 1 12 . 1 . 1 3 3 ALA HB3 H 1 1.220 0.005 . 1 . . . . . 3 ALA MB . 51184 1 13 . 1 . 1 3 3 ALA C C 13 177.519 0.050 . 1 . . . . . 3 ALA C . 51184 1 14 . 1 . 1 3 3 ALA CA C 13 52.263 0.050 . 1 . . . . . 3 ALA CA . 51184 1 15 . 1 . 1 3 3 ALA CB C 13 19.506 0.050 . 1 . . . . . 3 ALA CB . 51184 1 16 . 1 . 1 3 3 ALA N N 15 123.522 0.050 . 1 . . . . . 3 ALA N . 51184 1 17 . 1 . 1 4 4 ILE H H 1 8.019 0.005 . 1 . . . . . 4 ILE H . 51184 1 18 . 1 . 1 4 4 ILE HA H 1 4.185 0.005 . 1 . . . . . 4 ILE HA . 51184 1 19 . 1 . 1 4 4 ILE HB H 1 1.583 0.005 . 1 . . . . . 4 ILE HB . 51184 1 20 . 1 . 1 4 4 ILE HG12 H 1 1.070 0.005 . 2 . . . . . 4 ILE HG12 . 51184 1 21 . 1 . 1 4 4 ILE HG13 H 1 0.816 0.005 . 2 . . . . . 4 ILE HG13 . 51184 1 22 . 1 . 1 4 4 ILE HG21 H 1 0.504 0.005 . 1 . . . . . 4 ILE MG . 51184 1 23 . 1 . 1 4 4 ILE HG22 H 1 0.504 0.005 . 1 . . . . . 4 ILE MG . 51184 1 24 . 1 . 1 4 4 ILE HG23 H 1 0.504 0.005 . 1 . . . . . 4 ILE MG . 51184 1 25 . 1 . 1 4 4 ILE HD11 H 1 0.262 0.005 . 1 . . . . . 4 ILE MD . 51184 1 26 . 1 . 1 4 4 ILE HD12 H 1 0.262 0.005 . 1 . . . . . 4 ILE MD . 51184 1 27 . 1 . 1 4 4 ILE HD13 H 1 0.262 0.005 . 1 . . . . . 4 ILE MD . 51184 1 28 . 1 . 1 4 4 ILE C C 13 176.429 0.050 . 1 . . . . . 4 ILE C . 51184 1 29 . 1 . 1 4 4 ILE CA C 13 60.906 0.050 . 1 . . . . . 4 ILE CA . 51184 1 30 . 1 . 1 4 4 ILE CB C 13 38.973 0.050 . 1 . . . . . 4 ILE CB . 51184 1 31 . 1 . 1 4 4 ILE CG1 C 13 26.540 0.050 . 1 . . . . . 4 ILE CG1 . 51184 1 32 . 1 . 1 4 4 ILE CG2 C 13 17.500 0.050 . 1 . . . . . 4 ILE CG2 . 51184 1 33 . 1 . 1 4 4 ILE CD1 C 13 13.277 0.050 . 1 . . . . . 4 ILE CD1 . 51184 1 34 . 1 . 1 4 4 ILE N N 15 118.718 0.050 . 1 . . . . . 4 ILE N . 51184 1 35 . 1 . 1 5 5 SER H H 1 8.490 0.005 . 1 . . . . . 5 SER H . 51184 1 36 . 1 . 1 5 5 SER HA H 1 4.259 0.005 . 1 . . . . . 5 SER HA . 51184 1 37 . 1 . 1 5 5 SER HB2 H 1 3.758 0.005 . 1 . . . . . 5 SER HB2 . 51184 1 38 . 1 . 1 5 5 SER HB3 H 1 3.758 0.005 . 1 . . . . . 5 SER HB3 . 51184 1 39 . 1 . 1 5 5 SER C C 13 174.666 0.050 . 1 . . . . . 5 SER C . 51184 1 40 . 1 . 1 5 5 SER CA C 13 59.077 0.050 . 1 . . . . . 5 SER CA . 51184 1 41 . 1 . 1 5 5 SER CB C 13 63.716 0.050 . 1 . . . . . 5 SER CB . 51184 1 42 . 1 . 1 5 5 SER N N 15 119.545 0.050 . 1 . . . . . 5 SER N . 51184 1 43 . 1 . 1 6 6 ASN H H 1 8.596 0.005 . 1 . . . . . 6 ASN H . 51184 1 44 . 1 . 1 6 6 ASN HA H 1 4.657 0.005 . 1 . . . . . 6 ASN HA . 51184 1 45 . 1 . 1 6 6 ASN HB2 H 1 2.812 0.005 . 2 . . . . . 6 ASN HB2 . 51184 1 46 . 1 . 1 6 6 ASN HB3 H 1 2.759 0.005 . 2 . . . . . 6 ASN HB3 . 51184 1 47 . 1 . 1 6 6 ASN HD21 H 1 7.649 0.005 . 2 . . . . . 6 ASN HD21 . 51184 1 48 . 1 . 1 6 6 ASN HD22 H 1 6.992 0.005 . 2 . . . . . 6 ASN HD22 . 51184 1 49 . 1 . 1 6 6 ASN C C 13 175.938 0.050 . 1 . . . . . 6 ASN C . 51184 1 50 . 1 . 1 6 6 ASN CA C 13 53.447 0.050 . 1 . . . . . 6 ASN CA . 51184 1 51 . 1 . 1 6 6 ASN CB C 13 37.880 0.050 . 1 . . . . . 6 ASN CB . 51184 1 52 . 1 . 1 6 6 ASN N N 15 119.685 0.050 . 1 . . . . . 6 ASN N . 51184 1 53 . 1 . 1 6 6 ASN ND2 N 15 112.394 0.050 . 1 . . . . . 6 ASN ND2 . 51184 1 54 . 1 . 1 7 7 ILE H H 1 7.910 0.005 . 1 . . . . . 7 ILE H . 51184 1 55 . 1 . 1 7 7 ILE HA H 1 4.135 0.005 . 1 . . . . . 7 ILE HA . 51184 1 56 . 1 . 1 7 7 ILE HB H 1 1.807 0.005 . 1 . . . . . 7 ILE HB . 51184 1 57 . 1 . 1 7 7 ILE HG12 H 1 1.377 0.005 . 2 . . . . . 7 ILE HG12 . 51184 1 58 . 1 . 1 7 7 ILE HG13 H 1 1.276 0.005 . 2 . . . . . 7 ILE HG13 . 51184 1 59 . 1 . 1 7 7 ILE HG21 H 1 0.820 0.005 . 1 . . . . . 7 ILE MG . 51184 1 60 . 1 . 1 7 7 ILE HG22 H 1 0.820 0.005 . 1 . . . . . 7 ILE MG . 51184 1 61 . 1 . 1 7 7 ILE HG23 H 1 0.820 0.005 . 1 . . . . . 7 ILE MG . 51184 1 62 . 1 . 1 7 7 ILE HD11 H 1 0.767 0.005 . 1 . . . . . 7 ILE MD . 51184 1 63 . 1 . 1 7 7 ILE HD12 H 1 0.767 0.005 . 1 . . . . . 7 ILE MD . 51184 1 64 . 1 . 1 7 7 ILE HD13 H 1 0.767 0.005 . 1 . . . . . 7 ILE MD . 51184 1 65 . 1 . 1 7 7 ILE C C 13 175.490 0.050 . 1 . . . . . 7 ILE C . 51184 1 66 . 1 . 1 7 7 ILE CA C 13 61.542 0.050 . 1 . . . . . 7 ILE CA . 51184 1 67 . 1 . 1 7 7 ILE CB C 13 38.705 0.050 . 1 . . . . . 7 ILE CB . 51184 1 68 . 1 . 1 7 7 ILE CG1 C 13 28.488 0.050 . 1 . . . . . 7 ILE CG1 . 51184 1 69 . 1 . 1 7 7 ILE CG2 C 13 18.036 0.050 . 1 . . . . . 7 ILE CG2 . 51184 1 70 . 1 . 1 7 7 ILE CD1 C 13 13.843 0.050 . 1 . . . . . 7 ILE CD1 . 51184 1 71 . 1 . 1 7 7 ILE N N 15 120.229 0.050 . 1 . . . . . 7 ILE N . 51184 1 72 . 1 . 1 8 8 ASP H H 1 8.317 0.005 . 1 . . . . . 8 ASP H . 51184 1 73 . 1 . 1 8 8 ASP HA H 1 4.465 0.005 . 1 . . . . . 8 ASP HA . 51184 1 74 . 1 . 1 8 8 ASP HB2 H 1 2.512 0.005 . 2 . . . . . 8 ASP HB2 . 51184 1 75 . 1 . 1 8 8 ASP HB3 H 1 2.512 0.005 . 2 . . . . . 8 ASP HB3 . 51184 1 76 . 1 . 1 8 8 ASP C C 13 176.267 0.050 . 1 . . . . . 8 ASP C . 51184 1 77 . 1 . 1 8 8 ASP CA C 13 55.634 0.050 . 1 . . . . . 8 ASP CA . 51184 1 78 . 1 . 1 8 8 ASP CB C 13 40.554 0.050 . 1 . . . . . 8 ASP CB . 51184 1 79 . 1 . 1 8 8 ASP N N 15 119.981 0.050 . 1 . . . . . 8 ASP N . 51184 1 80 . 1 . 1 9 9 ASN H H 1 8.271 0.005 . 1 . . . . . 9 ASN H . 51184 1 81 . 1 . 1 9 9 ASN HA H 1 4.477 0.005 . 1 . . . . . 9 ASN HA . 51184 1 82 . 1 . 1 9 9 ASN HB2 H 1 2.605 0.005 . 2 . . . . . 9 ASN HB2 . 51184 1 83 . 1 . 1 9 9 ASN HB3 H 1 2.449 0.005 . 2 . . . . . 9 ASN HB3 . 51184 1 84 . 1 . 1 9 9 ASN HD21 H 1 7.263 0.005 . 2 . . . . . 9 ASN HD21 . 51184 1 85 . 1 . 1 9 9 ASN HD22 H 1 6.808 0.005 . 2 . . . . . 9 ASN HD22 . 51184 1 86 . 1 . 1 9 9 ASN C C 13 172.551 0.050 . 1 . . . . . 9 ASN C . 51184 1 87 . 1 . 1 9 9 ASN CA C 13 53.323 0.050 . 1 . . . . . 9 ASN CA . 51184 1 88 . 1 . 1 9 9 ASN CB C 13 39.045 0.050 . 1 . . . . . 9 ASN CB . 51184 1 89 . 1 . 1 9 9 ASN N N 15 117.022 0.050 . 1 . . . . . 9 ASN N . 51184 1 90 . 1 . 1 9 9 ASN ND2 N 15 111.525 0.050 . 1 . . . . . 9 ASN ND2 . 51184 1 91 . 1 . 1 10 10 TYR H H 1 8.074 0.005 . 1 . . . . . 10 TYR H . 51184 1 92 . 1 . 1 10 10 TYR HA H 1 4.936 0.005 . 1 . . . . . 10 TYR HA . 51184 1 93 . 1 . 1 10 10 TYR HB2 H 1 3.086 0.005 . 2 . . . . . 10 TYR HB2 . 51184 1 94 . 1 . 1 10 10 TYR HB3 H 1 2.543 0.005 . 2 . . . . . 10 TYR HB3 . 51184 1 95 . 1 . 1 10 10 TYR HD1 H 1 7.220 0.005 . 1 . . . . . 10 TYR HD . 51184 1 96 . 1 . 1 10 10 TYR HD2 H 1 7.220 0.005 . 1 . . . . . 10 TYR HD . 51184 1 97 . 1 . 1 10 10 TYR HE1 H 1 6.790 0.005 . 1 . . . . . 10 TYR HE . 51184 1 98 . 1 . 1 10 10 TYR HE2 H 1 6.790 0.005 . 1 . . . . . 10 TYR HE . 51184 1 99 . 1 . 1 10 10 TYR C C 13 176.191 0.050 . 1 . . . . . 10 TYR C . 51184 1 100 . 1 . 1 10 10 TYR CA C 13 56.615 0.050 . 1 . . . . . 10 TYR CA . 51184 1 101 . 1 . 1 10 10 TYR CB C 13 40.749 0.050 . 1 . . . . . 10 TYR CB . 51184 1 102 . 1 . 1 10 10 TYR N N 15 118.156 0.050 . 1 . . . . . 10 TYR N . 51184 1 103 . 1 . 1 11 11 TYR H H 1 8.699 0.005 . 1 . . . . . 11 TYR H . 51184 1 104 . 1 . 1 11 11 TYR HA H 1 4.426 0.005 . 1 . . . . . 11 TYR HA . 51184 1 105 . 1 . 1 11 11 TYR HB2 H 1 3.003 0.005 . 2 . . . . . 11 TYR HB2 . 51184 1 106 . 1 . 1 11 11 TYR HB3 H 1 2.711 0.005 . 2 . . . . . 11 TYR HB3 . 51184 1 107 . 1 . 1 11 11 TYR HD1 H 1 7.240 0.005 . 1 . . . . . 11 TYR HD . 51184 1 108 . 1 . 1 11 11 TYR HD2 H 1 7.240 0.005 . 1 . . . . . 11 TYR HD . 51184 1 109 . 1 . 1 11 11 TYR HE1 H 1 6.930 0.005 . 1 . . . . . 11 TYR HE . 51184 1 110 . 1 . 1 11 11 TYR HE2 H 1 6.930 0.005 . 1 . . . . . 11 TYR HE . 51184 1 111 . 1 . 1 11 11 TYR C C 13 174.986 0.050 . 1 . . . . . 11 TYR C . 51184 1 112 . 1 . 1 11 11 TYR CA C 13 61.325 0.050 . 1 . . . . . 11 TYR CA . 51184 1 113 . 1 . 1 11 11 TYR CB C 13 38.605 0.050 . 1 . . . . . 11 TYR CB . 51184 1 114 . 1 . 1 11 11 TYR N N 15 119.843 0.050 . 1 . . . . . 11 TYR N . 51184 1 115 . 1 . 1 12 12 THR H H 1 8.170 0.005 . 1 . . . . . 12 THR H . 51184 1 116 . 1 . 1 12 12 THR HA H 1 4.408 0.005 . 1 . . . . . 12 THR HA . 51184 1 117 . 1 . 1 12 12 THR HB H 1 4.175 0.005 . 1 . . . . . 12 THR HB . 51184 1 118 . 1 . 1 12 12 THR HG21 H 1 1.148 0.005 . 1 . . . . . 12 THR MG . 51184 1 119 . 1 . 1 12 12 THR HG22 H 1 1.148 0.005 . 1 . . . . . 12 THR MG . 51184 1 120 . 1 . 1 12 12 THR HG23 H 1 1.148 0.005 . 1 . . . . . 12 THR MG . 51184 1 121 . 1 . 1 12 12 THR C C 13 174.532 0.050 . 1 . . . . . 12 THR C . 51184 1 122 . 1 . 1 12 12 THR CA C 13 61.208 0.050 . 1 . . . . . 12 THR CA . 51184 1 123 . 1 . 1 12 12 THR CB C 13 69.465 0.050 . 1 . . . . . 12 THR CB . 51184 1 124 . 1 . 1 12 12 THR CG2 C 13 22.445 0.050 . 1 . . . . . 12 THR CG2 . 51184 1 125 . 1 . 1 12 12 THR N N 15 108.287 0.050 . 1 . . . . . 12 THR N . 51184 1 126 . 1 . 1 13 13 GLU H H 1 7.770 0.005 . 1 . . . . . 13 GLU H . 51184 1 127 . 1 . 1 13 13 GLU HA H 1 4.478 0.005 . 1 . . . . . 13 GLU HA . 51184 1 128 . 1 . 1 13 13 GLU HB2 H 1 1.877 0.005 . 2 . . . . . 13 GLU HB2 . 51184 1 129 . 1 . 1 13 13 GLU HB3 H 1 1.826 0.005 . 2 . . . . . 13 GLU HB3 . 51184 1 130 . 1 . 1 13 13 GLU HG2 H 1 2.142 0.005 . 1 . . . . . 13 GLU HG2 . 51184 1 131 . 1 . 1 13 13 GLU HG3 H 1 2.142 0.005 . 1 . . . . . 13 GLU HG3 . 51184 1 132 . 1 . 1 13 13 GLU C C 13 176.094 0.050 . 1 . . . . . 13 GLU C . 51184 1 133 . 1 . 1 13 13 GLU CA C 13 54.459 0.050 . 1 . . . . . 13 GLU CA . 51184 1 134 . 1 . 1 13 13 GLU CB C 13 32.184 0.050 . 1 . . . . . 13 GLU CB . 51184 1 135 . 1 . 1 13 13 GLU CG C 13 36.243 0.050 . 1 . . . . . 13 GLU CG . 51184 1 136 . 1 . 1 13 13 GLU N N 15 122.180 0.050 . 1 . . . . . 13 GLU N . 51184 1 137 . 1 . 1 14 14 ASN H H 1 9.071 0.005 . 1 . . . . . 14 ASN H . 51184 1 138 . 1 . 1 14 14 ASN HA H 1 4.033 0.005 . 1 . . . . . 14 ASN HA . 51184 1 139 . 1 . 1 14 14 ASN HB2 H 1 2.917 0.005 . 2 . . . . . 14 ASN HB2 . 51184 1 140 . 1 . 1 14 14 ASN HB3 H 1 2.710 0.005 . 2 . . . . . 14 ASN HB3 . 51184 1 141 . 1 . 1 14 14 ASN HD21 H 1 7.723 0.005 . 2 . . . . . 14 ASN HD21 . 51184 1 142 . 1 . 1 14 14 ASN HD22 H 1 6.258 0.005 . 2 . . . . . 14 ASN HD22 . 51184 1 143 . 1 . 1 14 14 ASN C C 13 174.852 0.050 . 1 . . . . . 14 ASN C . 51184 1 144 . 1 . 1 14 14 ASN CA C 13 51.549 0.050 . 1 . . . . . 14 ASN CA . 51184 1 145 . 1 . 1 14 14 ASN CB C 13 38.513 0.050 . 1 . . . . . 14 ASN CB . 51184 1 146 . 1 . 1 14 14 ASN N N 15 122.601 0.050 . 1 . . . . . 14 ASN N . 51184 1 147 . 1 . 1 14 14 ASN ND2 N 15 107.535 0.050 . 1 . . . . . 14 ASN ND2 . 51184 1 148 . 1 . 1 15 15 PRO HA H 1 4.349 0.005 . 1 . . . . . 15 PRO HA . 51184 1 149 . 1 . 1 15 15 PRO HB2 H 1 1.371 0.005 . 2 . . . . . 15 PRO HB2 . 51184 1 150 . 1 . 1 15 15 PRO HB3 H 1 1.314 0.005 . 2 . . . . . 15 PRO HB3 . 51184 1 151 . 1 . 1 15 15 PRO HG2 H 1 1.278 0.005 . 2 . . . . . 15 PRO HG2 . 51184 1 152 . 1 . 1 15 15 PRO HG3 H 1 1.136 0.005 . 2 . . . . . 15 PRO HG3 . 51184 1 153 . 1 . 1 15 15 PRO HD2 H 1 3.783 0.005 . 2 . . . . . 15 PRO HD2 . 51184 1 154 . 1 . 1 15 15 PRO HD3 H 1 3.611 0.005 . 2 . . . . . 15 PRO HD3 . 51184 1 155 . 1 . 1 15 15 PRO C C 13 176.923 0.050 . 1 . . . . . 15 PRO C . 51184 1 156 . 1 . 1 15 15 PRO CA C 13 63.278 0.050 . 1 . . . . . 15 PRO CA . 51184 1 157 . 1 . 1 15 15 PRO CB C 13 31.511 0.050 . 1 . . . . . 15 PRO CB . 51184 1 158 . 1 . 1 15 15 PRO CG C 13 26.779 0.050 . 1 . . . . . 15 PRO CG . 51184 1 159 . 1 . 1 15 15 PRO CD C 13 50.741 0.050 . 1 . . . . . 15 PRO CD . 51184 1 160 . 1 . 1 16 16 VAL H H 1 8.291 0.005 . 1 . . . . . 16 VAL H . 51184 1 161 . 1 . 1 16 16 VAL HA H 1 3.208 0.005 . 1 . . . . . 16 VAL HA . 51184 1 162 . 1 . 1 16 16 VAL HB H 1 2.617 0.005 . 1 . . . . . 16 VAL HB . 51184 1 163 . 1 . 1 16 16 VAL HG11 H 1 0.814 0.005 . 2 . . . . . 16 VAL MG1 . 51184 1 164 . 1 . 1 16 16 VAL HG12 H 1 0.814 0.005 . 2 . . . . . 16 VAL MG1 . 51184 1 165 . 1 . 1 16 16 VAL HG13 H 1 0.814 0.005 . 2 . . . . . 16 VAL MG1 . 51184 1 166 . 1 . 1 16 16 VAL HG21 H 1 0.671 0.005 . 2 . . . . . 16 VAL MG2 . 51184 1 167 . 1 . 1 16 16 VAL HG22 H 1 0.671 0.005 . 2 . . . . . 16 VAL MG2 . 51184 1 168 . 1 . 1 16 16 VAL HG23 H 1 0.671 0.005 . 2 . . . . . 16 VAL MG2 . 51184 1 169 . 1 . 1 16 16 VAL C C 13 176.897 0.050 . 1 . . . . . 16 VAL C . 51184 1 170 . 1 . 1 16 16 VAL CA C 13 69.968 0.050 . 1 . . . . . 16 VAL CA . 51184 1 171 . 1 . 1 16 16 VAL CB C 13 29.941 0.050 . 1 . . . . . 16 VAL CB . 51184 1 172 . 1 . 1 16 16 VAL CG1 C 13 21.946 0.050 . 2 . . . . . 16 VAL CG1 . 51184 1 173 . 1 . 1 16 16 VAL CG2 C 13 22.223 0.050 . 2 . . . . . 16 VAL CG2 . 51184 1 174 . 1 . 1 16 16 VAL N N 15 117.648 0.050 . 1 . . . . . 16 VAL N . 51184 1 175 . 1 . 1 17 17 LYS H H 1 9.151 0.005 . 1 . . . . . 17 LYS H . 51184 1 176 . 1 . 1 17 17 LYS HA H 1 4.984 0.005 . 1 . . . . . 17 LYS HA . 51184 1 177 . 1 . 1 17 17 LYS HB2 H 1 1.581 0.005 . 1 . . . . . 17 LYS HB2 . 51184 1 178 . 1 . 1 17 17 LYS HB3 H 1 1.581 0.005 . 1 . . . . . 17 LYS HB3 . 51184 1 179 . 1 . 1 17 17 LYS HG2 H 1 1.170 0.005 . 2 . . . . . 17 LYS HG2 . 51184 1 180 . 1 . 1 17 17 LYS HG3 H 1 1.055 0.005 . 2 . . . . . 17 LYS HG3 . 51184 1 181 . 1 . 1 17 17 LYS HD2 H 1 1.463 0.005 . 1 . . . . . 17 LYS HD2 . 51184 1 182 . 1 . 1 17 17 LYS HD3 H 1 1.463 0.005 . 1 . . . . . 17 LYS HD3 . 51184 1 183 . 1 . 1 17 17 LYS HE2 H 1 2.721 0.005 . 2 . . . . . 17 LYS HE2 . 51184 1 184 . 1 . 1 17 17 LYS HE3 H 1 2.610 0.005 . 2 . . . . . 17 LYS HE3 . 51184 1 185 . 1 . 1 17 17 LYS C C 13 175.319 0.050 . 1 . . . . . 17 LYS C . 51184 1 186 . 1 . 1 17 17 LYS CA C 13 56.386 0.050 . 1 . . . . . 17 LYS CA . 51184 1 187 . 1 . 1 17 17 LYS CB C 13 36.029 0.050 . 1 . . . . . 17 LYS CB . 51184 1 188 . 1 . 1 17 17 LYS CG C 13 25.571 0.050 . 1 . . . . . 17 LYS CG . 51184 1 189 . 1 . 1 17 17 LYS CD C 13 29.890 0.050 . 1 . . . . . 17 LYS CD . 51184 1 190 . 1 . 1 17 17 LYS CE C 13 41.935 0.050 . 1 . . . . . 17 LYS CE . 51184 1 191 . 1 . 1 17 17 LYS N N 15 124.963 0.050 . 1 . . . . . 17 LYS N . 51184 1 192 . 1 . 1 18 18 ILE H H 1 8.740 0.005 . 1 . . . . . 18 ILE H . 51184 1 193 . 1 . 1 18 18 ILE HA H 1 5.253 0.005 . 1 . . . . . 18 ILE HA . 51184 1 194 . 1 . 1 18 18 ILE HB H 1 1.567 0.005 . 1 . . . . . 18 ILE HB . 51184 1 195 . 1 . 1 18 18 ILE HG12 H 1 1.215 0.005 . 2 . . . . . 18 ILE HG12 . 51184 1 196 . 1 . 1 18 18 ILE HG13 H 1 0.656 0.005 . 2 . . . . . 18 ILE HG13 . 51184 1 197 . 1 . 1 18 18 ILE HG21 H 1 0.325 0.005 . 1 . . . . . 18 ILE MG . 51184 1 198 . 1 . 1 18 18 ILE HG22 H 1 0.325 0.005 . 1 . . . . . 18 ILE MG . 51184 1 199 . 1 . 1 18 18 ILE HG23 H 1 0.325 0.005 . 1 . . . . . 18 ILE MG . 51184 1 200 . 1 . 1 18 18 ILE HD11 H 1 0.585 0.005 . 1 . . . . . 18 ILE MD . 51184 1 201 . 1 . 1 18 18 ILE HD12 H 1 0.585 0.005 . 1 . . . . . 18 ILE MD . 51184 1 202 . 1 . 1 18 18 ILE HD13 H 1 0.585 0.005 . 1 . . . . . 18 ILE MD . 51184 1 203 . 1 . 1 18 18 ILE C C 13 174.257 0.050 . 1 . . . . . 18 ILE C . 51184 1 204 . 1 . 1 18 18 ILE CA C 13 57.225 0.050 . 1 . . . . . 18 ILE CA . 51184 1 205 . 1 . 1 18 18 ILE CB C 13 43.871 0.050 . 1 . . . . . 18 ILE CB . 51184 1 206 . 1 . 1 18 18 ILE CG1 C 13 26.446 0.050 . 1 . . . . . 18 ILE CG1 . 51184 1 207 . 1 . 1 18 18 ILE CG2 C 13 21.106 0.050 . 1 . . . . . 18 ILE CG2 . 51184 1 208 . 1 . 1 18 18 ILE CD1 C 13 16.018 0.050 . 1 . . . . . 18 ILE CD1 . 51184 1 209 . 1 . 1 18 18 ILE N N 15 116.890 0.050 . 1 . . . . . 18 ILE N . 51184 1 210 . 1 . 1 19 19 VAL H H 1 9.062 0.005 . 1 . . . . . 19 VAL H . 51184 1 211 . 1 . 1 19 19 VAL HA H 1 4.983 0.005 . 1 . . . . . 19 VAL HA . 51184 1 212 . 1 . 1 19 19 VAL HB H 1 1.654 0.005 . 1 . . . . . 19 VAL HB . 51184 1 213 . 1 . 1 19 19 VAL HG11 H 1 0.712 0.005 . 2 . . . . . 19 VAL MG1 . 51184 1 214 . 1 . 1 19 19 VAL HG12 H 1 0.712 0.005 . 2 . . . . . 19 VAL MG1 . 51184 1 215 . 1 . 1 19 19 VAL HG13 H 1 0.712 0.005 . 2 . . . . . 19 VAL MG1 . 51184 1 216 . 1 . 1 19 19 VAL HG21 H 1 0.687 0.005 . 2 . . . . . 19 VAL MG2 . 51184 1 217 . 1 . 1 19 19 VAL HG22 H 1 0.687 0.005 . 2 . . . . . 19 VAL MG2 . 51184 1 218 . 1 . 1 19 19 VAL HG23 H 1 0.687 0.005 . 2 . . . . . 19 VAL MG2 . 51184 1 219 . 1 . 1 19 19 VAL C C 13 174.978 0.050 . 1 . . . . . 19 VAL C . 51184 1 220 . 1 . 1 19 19 VAL CA C 13 58.681 0.050 . 1 . . . . . 19 VAL CA . 51184 1 221 . 1 . 1 19 19 VAL CB C 13 35.057 0.050 . 1 . . . . . 19 VAL CB . 51184 1 222 . 1 . 1 19 19 VAL CG1 C 13 19.890 0.050 . 2 . . . . . 19 VAL CG1 . 51184 1 223 . 1 . 1 19 19 VAL CG2 C 13 21.678 0.050 . 2 . . . . . 19 VAL CG2 . 51184 1 224 . 1 . 1 19 19 VAL N N 15 118.718 0.050 . 1 . . . . . 19 VAL N . 51184 1 225 . 1 . 1 20 20 MET H H 1 7.883 0.005 . 1 . . . . . 20 MET H . 51184 1 226 . 1 . 1 20 20 MET HA H 1 4.868 0.005 . 1 . . . . . 20 MET HA . 51184 1 227 . 1 . 1 20 20 MET HB2 H 1 2.404 0.005 . 2 . . . . . 20 MET HB2 . 51184 1 228 . 1 . 1 20 20 MET HB3 H 1 1.996 0.005 . 2 . . . . . 20 MET HB3 . 51184 1 229 . 1 . 1 20 20 MET HG2 H 1 2.412 0.005 . 2 . . . . . 20 MET HG2 . 51184 1 230 . 1 . 1 20 20 MET HG3 H 1 2.260 0.005 . 2 . . . . . 20 MET HG3 . 51184 1 231 . 1 . 1 20 20 MET HE1 H 1 1.720 0.005 . 1 . . . . . 20 MET ME . 51184 1 232 . 1 . 1 20 20 MET HE2 H 1 1.720 0.005 . 1 . . . . . 20 MET ME . 51184 1 233 . 1 . 1 20 20 MET HE3 H 1 1.720 0.005 . 1 . . . . . 20 MET ME . 51184 1 234 . 1 . 1 20 20 MET C C 13 179.111 0.050 . 1 . . . . . 20 MET C . 51184 1 235 . 1 . 1 20 20 MET CA C 13 53.442 0.050 . 1 . . . . . 20 MET CA . 51184 1 236 . 1 . 1 20 20 MET CB C 13 29.896 0.050 . 1 . . . . . 20 MET CB . 51184 1 237 . 1 . 1 20 20 MET CG C 13 30.586 0.050 . 1 . . . . . 20 MET CG . 51184 1 238 . 1 . 1 20 20 MET CE C 13 14.570 0.050 . 1 . . . . . 20 MET CE . 51184 1 239 . 1 . 1 20 20 MET N N 15 122.902 0.050 . 1 . . . . . 20 MET N . 51184 1 240 . 1 . 1 21 21 LEU H H 1 9.519 0.005 . 1 . . . . . 21 LEU H . 51184 1 241 . 1 . 1 21 21 LEU HA H 1 4.194 0.005 . 1 . . . . . 21 LEU HA . 51184 1 242 . 1 . 1 21 21 LEU HB2 H 1 1.594 0.005 . 2 . . . . . 21 LEU HB2 . 51184 1 243 . 1 . 1 21 21 LEU HB3 H 1 1.417 0.005 . 2 . . . . . 21 LEU HB3 . 51184 1 244 . 1 . 1 21 21 LEU HG H 1 0.612 0.005 . 1 . . . . . 21 LEU HG . 51184 1 245 . 1 . 1 21 21 LEU HD11 H 1 0.690 0.005 . 2 . . . . . 21 LEU MD1 . 51184 1 246 . 1 . 1 21 21 LEU HD12 H 1 0.690 0.005 . 2 . . . . . 21 LEU MD1 . 51184 1 247 . 1 . 1 21 21 LEU HD13 H 1 0.690 0.005 . 2 . . . . . 21 LEU MD1 . 51184 1 248 . 1 . 1 21 21 LEU HD21 H 1 0.630 0.005 . 2 . . . . . 21 LEU MD2 . 51184 1 249 . 1 . 1 21 21 LEU HD22 H 1 0.630 0.005 . 2 . . . . . 21 LEU MD2 . 51184 1 250 . 1 . 1 21 21 LEU HD23 H 1 0.630 0.005 . 2 . . . . . 21 LEU MD2 . 51184 1 251 . 1 . 1 21 21 LEU C C 13 175.885 0.050 . 1 . . . . . 21 LEU C . 51184 1 252 . 1 . 1 21 21 LEU CA C 13 55.824 0.050 . 1 . . . . . 21 LEU CA . 51184 1 253 . 1 . 1 21 21 LEU CB C 13 42.303 0.050 . 1 . . . . . 21 LEU CB . 51184 1 254 . 1 . 1 21 21 LEU CG C 13 25.365 0.050 . 1 . . . . . 21 LEU CG . 51184 1 255 . 1 . 1 21 21 LEU CD1 C 13 21.690 0.050 . 2 . . . . . 21 LEU CD1 . 51184 1 256 . 1 . 1 21 21 LEU CD2 C 13 21.850 0.050 . 2 . . . . . 21 LEU CD2 . 51184 1 257 . 1 . 1 21 21 LEU N N 15 126.318 0.050 . 1 . . . . . 21 LEU N . 51184 1 258 . 1 . 1 22 22 VAL H H 1 7.346 0.005 . 1 . . . . . 22 VAL H . 51184 1 259 . 1 . 1 22 22 VAL HA H 1 4.326 0.005 . 1 . . . . . 22 VAL HA . 51184 1 260 . 1 . 1 22 22 VAL HB H 1 2.061 0.005 . 1 . . . . . 22 VAL HB . 51184 1 261 . 1 . 1 22 22 VAL HG11 H 1 0.805 0.005 . 2 . . . . . 22 VAL MG1 . 51184 1 262 . 1 . 1 22 22 VAL HG12 H 1 0.805 0.005 . 2 . . . . . 22 VAL MG1 . 51184 1 263 . 1 . 1 22 22 VAL HG13 H 1 0.805 0.005 . 2 . . . . . 22 VAL MG1 . 51184 1 264 . 1 . 1 22 22 VAL HG21 H 1 0.545 0.005 . 2 . . . . . 22 VAL MG2 . 51184 1 265 . 1 . 1 22 22 VAL HG22 H 1 0.545 0.005 . 2 . . . . . 22 VAL MG2 . 51184 1 266 . 1 . 1 22 22 VAL HG23 H 1 0.545 0.005 . 2 . . . . . 22 VAL MG2 . 51184 1 267 . 1 . 1 22 22 VAL C C 13 173.650 0.050 . 1 . . . . . 22 VAL C . 51184 1 268 . 1 . 1 22 22 VAL CA C 13 58.276 0.050 . 1 . . . . . 22 VAL CA . 51184 1 269 . 1 . 1 22 22 VAL CB C 13 36.103 0.050 . 1 . . . . . 22 VAL CB . 51184 1 270 . 1 . 1 22 22 VAL CG1 C 13 22.140 0.050 . 2 . . . . . 22 VAL CG1 . 51184 1 271 . 1 . 1 22 22 VAL CG2 C 13 18.644 0.050 . 2 . . . . . 22 VAL CG2 . 51184 1 272 . 1 . 1 22 22 VAL N N 15 109.650 0.050 . 1 . . . . . 22 VAL N . 51184 1 273 . 1 . 1 23 23 ASN H H 1 8.343 0.005 . 1 . . . . . 23 ASN H . 51184 1 274 . 1 . 1 23 23 ASN HA H 1 4.802 0.005 . 1 . . . . . 23 ASN HA . 51184 1 275 . 1 . 1 23 23 ASN HB2 H 1 2.981 0.005 . 2 . . . . . 23 ASN HB2 . 51184 1 276 . 1 . 1 23 23 ASN HB3 H 1 2.669 0.005 . 2 . . . . . 23 ASN HB3 . 51184 1 277 . 1 . 1 23 23 ASN HD21 H 1 7.827 0.005 . 2 . . . . . 23 ASN HD21 . 51184 1 278 . 1 . 1 23 23 ASN HD22 H 1 6.956 0.005 . 2 . . . . . 23 ASN HD22 . 51184 1 279 . 1 . 1 23 23 ASN C C 13 175.456 0.050 . 1 . . . . . 23 ASN C . 51184 1 280 . 1 . 1 23 23 ASN CA C 13 53.086 0.050 . 1 . . . . . 23 ASN CA . 51184 1 281 . 1 . 1 23 23 ASN CB C 13 38.034 0.050 . 1 . . . . . 23 ASN CB . 51184 1 282 . 1 . 1 23 23 ASN N N 15 117.586 0.050 . 1 . . . . . 23 ASN N . 51184 1 283 . 1 . 1 23 23 ASN ND2 N 15 114.135 0.050 . 1 . . . . . 23 ASN ND2 . 51184 1 284 . 1 . 1 24 24 ASP H H 1 8.787 0.005 . 1 . . . . . 24 ASP H . 51184 1 285 . 1 . 1 24 24 ASP HA H 1 4.634 0.005 . 1 . . . . . 24 ASP HA . 51184 1 286 . 1 . 1 24 24 ASP HB2 H 1 2.406 0.005 . 2 . . . . . 24 ASP HB2 . 51184 1 287 . 1 . 1 24 24 ASP HB3 H 1 2.212 0.005 . 2 . . . . . 24 ASP HB3 . 51184 1 288 . 1 . 1 24 24 ASP C C 13 175.349 0.050 . 1 . . . . . 24 ASP C . 51184 1 289 . 1 . 1 24 24 ASP CA C 13 55.059 0.050 . 1 . . . . . 24 ASP CA . 51184 1 290 . 1 . 1 24 24 ASP CB C 13 43.822 0.050 . 1 . . . . . 24 ASP CB . 51184 1 291 . 1 . 1 24 24 ASP N N 15 124.691 0.050 . 1 . . . . . 24 ASP N . 51184 1 292 . 1 . 1 25 25 ARG H H 1 9.132 0.005 . 1 . . . . . 25 ARG H . 51184 1 293 . 1 . 1 25 25 ARG HA H 1 4.565 0.005 . 1 . . . . . 25 ARG HA . 51184 1 294 . 1 . 1 25 25 ARG HB2 H 1 1.466 0.005 . 2 . . . . . 25 ARG HB2 . 51184 1 295 . 1 . 1 25 25 ARG HB3 H 1 1.151 0.005 . 2 . . . . . 25 ARG HB3 . 51184 1 296 . 1 . 1 25 25 ARG HG2 H 1 0.935 0.005 . 2 . . . . . 25 ARG HG2 . 51184 1 297 . 1 . 1 25 25 ARG HG3 H 1 0.676 0.005 . 2 . . . . . 25 ARG HG3 . 51184 1 298 . 1 . 1 25 25 ARG HD2 H 1 2.740 0.005 . 2 . . . . . 25 ARG HD2 . 51184 1 299 . 1 . 1 25 25 ARG HD3 H 1 2.617 0.005 . 2 . . . . . 25 ARG HD3 . 51184 1 300 . 1 . 1 25 25 ARG HE H 1 6.983 0.005 . 1 . . . . . 25 ARG HE . 51184 1 301 . 1 . 1 25 25 ARG C C 13 173.221 0.050 . 1 . . . . . 25 ARG C . 51184 1 302 . 1 . 1 25 25 ARG CA C 13 55.580 0.050 . 1 . . . . . 25 ARG CA . 51184 1 303 . 1 . 1 25 25 ARG CB C 13 32.379 0.050 . 1 . . . . . 25 ARG CB . 51184 1 304 . 1 . 1 25 25 ARG CG C 13 25.351 0.050 . 1 . . . . . 25 ARG CG . 51184 1 305 . 1 . 1 25 25 ARG CD C 13 43.846 0.050 . 1 . . . . . 25 ARG CD . 51184 1 306 . 1 . 1 25 25 ARG N N 15 123.425 0.050 . 1 . . . . . 25 ARG N . 51184 1 307 . 1 . 1 25 25 ARG NE N 15 83.776 0.050 . 1 . . . . . 25 ARG NE . 51184 1 308 . 1 . 1 26 26 TYR H H 1 7.875 0.005 . 1 . . . . . 26 TYR H . 51184 1 309 . 1 . 1 26 26 TYR HA H 1 4.570 0.005 . 1 . . . . . 26 TYR HA . 51184 1 310 . 1 . 1 26 26 TYR HB2 H 1 2.584 0.005 . 2 . . . . . 26 TYR HB2 . 51184 1 311 . 1 . 1 26 26 TYR HB3 H 1 2.529 0.005 . 2 . . . . . 26 TYR HB3 . 51184 1 312 . 1 . 1 26 26 TYR C C 13 176.730 0.050 . 1 . . . . . 26 TYR C . 51184 1 313 . 1 . 1 26 26 TYR CA C 13 58.210 0.050 . 1 . . . . . 26 TYR CA . 51184 1 314 . 1 . 1 26 26 TYR CB C 13 41.191 0.050 . 1 . . . . . 26 TYR CB . 51184 1 315 . 1 . 1 26 26 TYR N N 15 116.255 0.050 . 1 . . . . . 26 TYR N . 51184 1 316 . 1 . 1 27 27 TYR H H 1 9.412 0.005 . 1 . . . . . 27 TYR H . 51184 1 317 . 1 . 1 27 27 TYR HA H 1 4.641 0.005 . 1 . . . . . 27 TYR HA . 51184 1 318 . 1 . 1 27 27 TYR HB2 H 1 2.896 0.005 . 2 . . . . . 27 TYR HB2 . 51184 1 319 . 1 . 1 27 27 TYR HB3 H 1 2.280 0.005 . 2 . . . . . 27 TYR HB3 . 51184 1 320 . 1 . 1 27 27 TYR C C 13 176.738 0.050 . 1 . . . . . 27 TYR C . 51184 1 321 . 1 . 1 27 27 TYR CA C 13 57.714 0.050 . 1 . . . . . 27 TYR CA . 51184 1 322 . 1 . 1 27 27 TYR CB C 13 42.481 0.050 . 1 . . . . . 27 TYR CB . 51184 1 323 . 1 . 1 27 27 TYR N N 15 116.843 0.050 . 1 . . . . . 27 TYR N . 51184 1 324 . 1 . 1 28 28 THR H H 1 8.918 0.005 . 1 . . . . . 28 THR H . 51184 1 325 . 1 . 1 28 28 THR HA H 1 4.315 0.005 . 1 . . . . . 28 THR HA . 51184 1 326 . 1 . 1 28 28 THR HB H 1 4.217 0.005 . 1 . . . . . 28 THR HB . 51184 1 327 . 1 . 1 28 28 THR HG21 H 1 1.127 0.005 . 1 . . . . . 28 THR MG . 51184 1 328 . 1 . 1 28 28 THR HG22 H 1 1.127 0.005 . 1 . . . . . 28 THR MG . 51184 1 329 . 1 . 1 28 28 THR HG23 H 1 1.127 0.005 . 1 . . . . . 28 THR MG . 51184 1 330 . 1 . 1 28 28 THR C C 13 174.089 0.050 . 1 . . . . . 28 THR C . 51184 1 331 . 1 . 1 28 28 THR CA C 13 63.851 0.050 . 1 . . . . . 28 THR CA . 51184 1 332 . 1 . 1 28 28 THR CB C 13 69.038 0.050 . 1 . . . . . 28 THR CB . 51184 1 333 . 1 . 1 28 28 THR CG2 C 13 22.016 0.050 . 1 . . . . . 28 THR CG2 . 51184 1 334 . 1 . 1 28 28 THR N N 15 113.434 0.050 . 1 . . . . . 28 THR N . 51184 1 335 . 1 . 1 29 29 ASP H H 1 9.224 0.005 . 1 . . . . . 29 ASP H . 51184 1 336 . 1 . 1 29 29 ASP HA H 1 5.165 0.005 . 1 . . . . . 29 ASP HA . 51184 1 337 . 1 . 1 29 29 ASP HB2 H 1 2.751 0.005 . 2 . . . . . 29 ASP HB2 . 51184 1 338 . 1 . 1 29 29 ASP HB3 H 1 2.635 0.005 . 2 . . . . . 29 ASP HB3 . 51184 1 339 . 1 . 1 29 29 ASP C C 13 175.632 0.050 . 1 . . . . . 29 ASP C . 51184 1 340 . 1 . 1 29 29 ASP CA C 13 51.483 0.050 . 1 . . . . . 29 ASP CA . 51184 1 341 . 1 . 1 29 29 ASP CB C 13 45.007 0.050 . 1 . . . . . 29 ASP CB . 51184 1 342 . 1 . 1 29 29 ASP N N 15 119.448 0.050 . 1 . . . . . 29 ASP N . 51184 1 343 . 1 . 1 30 30 LEU H H 1 8.689 0.005 . 1 . . . . . 30 LEU H . 51184 1 344 . 1 . 1 30 30 LEU HA H 1 3.069 0.005 . 1 . . . . . 30 LEU HA . 51184 1 345 . 1 . 1 30 30 LEU HB2 H 1 1.567 0.005 . 2 . . . . . 30 LEU HB2 . 51184 1 346 . 1 . 1 30 30 LEU HB3 H 1 0.813 0.005 . 2 . . . . . 30 LEU HB3 . 51184 1 347 . 1 . 1 30 30 LEU HG H 1 0.652 0.005 . 1 . . . . . 30 LEU HG . 51184 1 348 . 1 . 1 30 30 LEU HD11 H 1 -0.009 0.005 . 2 . . . . . 30 LEU MD1 . 51184 1 349 . 1 . 1 30 30 LEU HD12 H 1 -0.009 0.005 . 2 . . . . . 30 LEU MD1 . 51184 1 350 . 1 . 1 30 30 LEU HD13 H 1 -0.009 0.005 . 2 . . . . . 30 LEU MD1 . 51184 1 351 . 1 . 1 30 30 LEU HD21 H 1 -0.012 0.005 . 2 . . . . . 30 LEU MD2 . 51184 1 352 . 1 . 1 30 30 LEU HD22 H 1 -0.012 0.005 . 2 . . . . . 30 LEU MD2 . 51184 1 353 . 1 . 1 30 30 LEU HD23 H 1 -0.012 0.005 . 2 . . . . . 30 LEU MD2 . 51184 1 354 . 1 . 1 30 30 LEU C C 13 177.820 0.050 . 1 . . . . . 30 LEU C . 51184 1 355 . 1 . 1 30 30 LEU CA C 13 56.908 0.050 . 1 . . . . . 30 LEU CA . 51184 1 356 . 1 . 1 30 30 LEU CB C 13 43.644 0.050 . 1 . . . . . 30 LEU CB . 51184 1 357 . 1 . 1 30 30 LEU CG C 13 26.497 0.050 . 1 . . . . . 30 LEU CG . 51184 1 358 . 1 . 1 30 30 LEU CD1 C 13 24.805 0.050 . 2 . . . . . 30 LEU CD1 . 51184 1 359 . 1 . 1 30 30 LEU CD2 C 13 24.324 0.050 . 2 . . . . . 30 LEU CD2 . 51184 1 360 . 1 . 1 30 30 LEU N N 15 119.340 0.050 . 1 . . . . . 30 LEU N . 51184 1 361 . 1 . 1 31 31 GLU H H 1 7.326 0.005 . 1 . . . . . 31 GLU H . 51184 1 362 . 1 . 1 31 31 GLU HA H 1 3.984 0.005 . 1 . . . . . 31 GLU HA . 51184 1 363 . 1 . 1 31 31 GLU HB2 H 1 2.178 0.005 . 2 . . . . . 31 GLU HB2 . 51184 1 364 . 1 . 1 31 31 GLU HB3 H 1 1.839 0.005 . 2 . . . . . 31 GLU HB3 . 51184 1 365 . 1 . 1 31 31 GLU HG2 H 1 2.297 0.005 . 2 . . . . . 31 GLU HG2 . 51184 1 366 . 1 . 1 31 31 GLU HG3 H 1 2.066 0.005 . 2 . . . . . 31 GLU HG3 . 51184 1 367 . 1 . 1 31 31 GLU C C 13 174.601 0.050 . 1 . . . . . 31 GLU C . 51184 1 368 . 1 . 1 31 31 GLU CA C 13 55.076 0.050 . 1 . . . . . 31 GLU CA . 51184 1 369 . 1 . 1 31 31 GLU CB C 13 28.366 0.050 . 1 . . . . . 31 GLU CB . 51184 1 370 . 1 . 1 31 31 GLU CG C 13 36.134 0.050 . 1 . . . . . 31 GLU CG . 51184 1 371 . 1 . 1 31 31 GLU N N 15 112.482 0.050 . 1 . . . . . 31 GLU N . 51184 1 372 . 1 . 1 32 32 PHE H H 1 7.813 0.005 . 1 . . . . . 32 PHE H . 51184 1 373 . 1 . 1 32 32 PHE HA H 1 3.682 0.005 . 1 . . . . . 32 PHE HA . 51184 1 374 . 1 . 1 32 32 PHE HB2 H 1 2.856 0.005 . 2 . . . . . 32 PHE HB2 . 51184 1 375 . 1 . 1 32 32 PHE HB3 H 1 2.254 0.005 . 2 . . . . . 32 PHE HB3 . 51184 1 376 . 1 . 1 32 32 PHE HD1 H 1 6.780 0.005 . 1 . . . . . 32 PHE HD . 51184 1 377 . 1 . 1 32 32 PHE HD2 H 1 6.780 0.005 . 1 . . . . . 32 PHE HD . 51184 1 378 . 1 . 1 32 32 PHE HE1 H 1 6.800 0.005 . 1 . . . . . 32 PHE HE . 51184 1 379 . 1 . 1 32 32 PHE HE2 H 1 6.800 0.005 . 1 . . . . . 32 PHE HE . 51184 1 380 . 1 . 1 32 32 PHE C C 13 174.228 0.050 . 1 . . . . . 32 PHE C . 51184 1 381 . 1 . 1 32 32 PHE CA C 13 56.655 0.050 . 1 . . . . . 32 PHE CA . 51184 1 382 . 1 . 1 32 32 PHE CB C 13 32.281 0.050 . 1 . . . . . 32 PHE CB . 51184 1 383 . 1 . 1 32 32 PHE N N 15 117.688 0.050 . 1 . . . . . 32 PHE N . 51184 1 384 . 1 . 1 33 33 LYS H H 1 10.268 0.005 . 1 . . . . . 33 LYS H . 51184 1 385 . 1 . 1 33 33 LYS HA H 1 4.303 0.005 . 1 . . . . . 33 LYS HA . 51184 1 386 . 1 . 1 33 33 LYS HB2 H 1 1.790 0.005 . 1 . . . . . 33 LYS HB2 . 51184 1 387 . 1 . 1 33 33 LYS HB3 H 1 1.790 0.005 . 1 . . . . . 33 LYS HB3 . 51184 1 388 . 1 . 1 33 33 LYS HG2 H 1 1.360 0.005 . 2 . . . . . 33 LYS HG2 . 51184 1 389 . 1 . 1 33 33 LYS HG3 H 1 1.270 0.005 . 2 . . . . . 33 LYS HG3 . 51184 1 390 . 1 . 1 33 33 LYS C C 13 178.798 0.050 . 1 . . . . . 33 LYS C . 51184 1 391 . 1 . 1 33 33 LYS CA C 13 57.360 0.050 . 1 . . . . . 33 LYS CA . 51184 1 392 . 1 . 1 33 33 LYS CB C 13 33.354 0.050 . 1 . . . . . 33 LYS CB . 51184 1 393 . 1 . 1 33 33 LYS CG C 13 25.260 0.050 . 1 . . . . . 33 LYS CG . 51184 1 394 . 1 . 1 33 33 LYS N N 15 119.764 0.050 . 1 . . . . . 33 LYS N . 51184 1 395 . 1 . 1 34 34 THR H H 1 9.945 0.005 . 1 . . . . . 34 THR H . 51184 1 396 . 1 . 1 34 34 THR HA H 1 4.190 0.005 . 1 . . . . . 34 THR HA . 51184 1 397 . 1 . 1 34 34 THR HB H 1 4.395 0.005 . 1 . . . . . 34 THR HB . 51184 1 398 . 1 . 1 34 34 THR HG21 H 1 1.080 0.005 . 1 . . . . . 34 THR MG . 51184 1 399 . 1 . 1 34 34 THR HG22 H 1 1.080 0.005 . 1 . . . . . 34 THR MG . 51184 1 400 . 1 . 1 34 34 THR HG23 H 1 1.080 0.005 . 1 . . . . . 34 THR MG . 51184 1 401 . 1 . 1 34 34 THR C C 13 172.215 0.050 . 1 . . . . . 34 THR C . 51184 1 402 . 1 . 1 34 34 THR CA C 13 61.410 0.050 . 1 . . . . . 34 THR CA . 51184 1 403 . 1 . 1 34 34 THR CB C 13 69.561 0.050 . 1 . . . . . 34 THR CB . 51184 1 404 . 1 . 1 34 34 THR CG2 C 13 22.550 0.050 . 1 . . . . . 34 THR CG2 . 51184 1 405 . 1 . 1 34 34 THR N N 15 119.951 0.050 . 1 . . . . . 34 THR N . 51184 1 406 . 1 . 1 35 35 PRO HA H 1 3.983 0.005 . 1 . . . . . 35 PRO HA . 51184 1 407 . 1 . 1 35 35 PRO HB2 H 1 1.752 0.005 . 1 . . . . . 35 PRO HB2 . 51184 1 408 . 1 . 1 35 35 PRO HB3 H 1 1.752 0.005 . 1 . . . . . 35 PRO HB3 . 51184 1 409 . 1 . 1 35 35 PRO HG2 H 1 2.010 0.005 . 2 . . . . . 35 PRO HG2 . 51184 1 410 . 1 . 1 35 35 PRO HG3 H 1 1.877 0.005 . 2 . . . . . 35 PRO HG3 . 51184 1 411 . 1 . 1 35 35 PRO HD2 H 1 3.797 0.005 . 2 . . . . . 35 PRO HD2 . 51184 1 412 . 1 . 1 35 35 PRO HD3 H 1 3.833 0.005 . 2 . . . . . 35 PRO HD3 . 51184 1 413 . 1 . 1 35 35 PRO C C 13 176.993 0.050 . 1 . . . . . 35 PRO C . 51184 1 414 . 1 . 1 35 35 PRO CA C 13 63.326 0.050 . 1 . . . . . 35 PRO CA . 51184 1 415 . 1 . 1 35 35 PRO CB C 13 32.762 0.050 . 1 . . . . . 35 PRO CB . 51184 1 416 . 1 . 1 35 35 PRO CG C 13 27.107 0.050 . 1 . . . . . 35 PRO CG . 51184 1 417 . 1 . 1 35 35 PRO CD C 13 51.580 0.050 . 1 . . . . . 35 PRO CD . 51184 1 418 . 1 . 1 36 36 GLY H H 1 8.880 0.005 . 1 . . . . . 36 GLY H . 51184 1 419 . 1 . 1 36 36 GLY HA2 H 1 4.250 0.005 . 2 . . . . . 36 GLY HA2 . 51184 1 420 . 1 . 1 36 36 GLY HA3 H 1 3.249 0.005 . 2 . . . . . 36 GLY HA3 . 51184 1 421 . 1 . 1 36 36 GLY C C 13 173.868 0.050 . 1 . . . . . 36 GLY C . 51184 1 422 . 1 . 1 36 36 GLY CA C 13 43.605 0.050 . 1 . . . . . 36 GLY CA . 51184 1 423 . 1 . 1 36 36 GLY N N 15 113.317 0.050 . 1 . . . . . 36 GLY N . 51184 1 424 . 1 . 1 37 37 SER H H 1 8.548 0.005 . 1 . . . . . 37 SER H . 51184 1 425 . 1 . 1 37 37 SER HA H 1 4.510 0.005 . 1 . . . . . 37 SER HA . 51184 1 426 . 1 . 1 37 37 SER HB2 H 1 3.895 0.005 . 2 . . . . . 37 SER HB2 . 51184 1 427 . 1 . 1 37 37 SER HB3 H 1 3.725 0.005 . 2 . . . . . 37 SER HB3 . 51184 1 428 . 1 . 1 37 37 SER C C 13 171.310 0.050 . 1 . . . . . 37 SER C . 51184 1 429 . 1 . 1 37 37 SER CA C 13 58.221 0.050 . 1 . . . . . 37 SER CA . 51184 1 430 . 1 . 1 37 37 SER CB C 13 62.976 0.050 . 1 . . . . . 37 SER CB . 51184 1 431 . 1 . 1 37 37 SER N N 15 120.259 0.050 . 1 . . . . . 37 SER N . 51184 1 432 . 1 . 1 38 38 PRO HA H 1 4.556 0.005 . 1 . . . . . 38 PRO HA . 51184 1 433 . 1 . 1 38 38 PRO HB2 H 1 2.208 0.005 . 2 . . . . . 38 PRO HB2 . 51184 1 434 . 1 . 1 38 38 PRO HB3 H 1 1.731 0.005 . 2 . . . . . 38 PRO HB3 . 51184 1 435 . 1 . 1 38 38 PRO HG2 H 1 1.965 0.005 . 2 . . . . . 38 PRO HG2 . 51184 1 436 . 1 . 1 38 38 PRO HG3 H 1 1.866 0.005 . 2 . . . . . 38 PRO HG3 . 51184 1 437 . 1 . 1 38 38 PRO HD2 H 1 3.614 0.005 . 2 . . . . . 38 PRO HD2 . 51184 1 438 . 1 . 1 38 38 PRO HD3 H 1 3.787 0.005 . 2 . . . . . 38 PRO HD3 . 51184 1 439 . 1 . 1 38 38 PRO C C 13 175.982 0.050 . 1 . . . . . 38 PRO C . 51184 1 440 . 1 . 1 38 38 PRO CA C 13 63.004 0.050 . 1 . . . . . 38 PRO CA . 51184 1 441 . 1 . 1 38 38 PRO CB C 13 32.704 0.050 . 1 . . . . . 38 PRO CB . 51184 1 442 . 1 . 1 38 38 PRO CG C 13 27.526 0.050 . 1 . . . . . 38 PRO CG . 51184 1 443 . 1 . 1 38 38 PRO CD C 13 50.728 0.050 . 1 . . . . . 38 PRO CD . 51184 1 444 . 1 . 1 39 39 VAL H H 1 8.399 0.005 . 1 . . . . . 39 VAL H . 51184 1 445 . 1 . 1 39 39 VAL HA H 1 4.364 0.005 . 1 . . . . . 39 VAL HA . 51184 1 446 . 1 . 1 39 39 VAL HB H 1 1.446 0.005 . 1 . . . . . 39 VAL HB . 51184 1 447 . 1 . 1 39 39 VAL HG11 H 1 0.558 0.005 . 2 . . . . . 39 VAL MG1 . 51184 1 448 . 1 . 1 39 39 VAL HG12 H 1 0.558 0.005 . 2 . . . . . 39 VAL MG1 . 51184 1 449 . 1 . 1 39 39 VAL HG13 H 1 0.558 0.005 . 2 . . . . . 39 VAL MG1 . 51184 1 450 . 1 . 1 39 39 VAL HG21 H 1 0.328 0.005 . 2 . . . . . 39 VAL MG2 . 51184 1 451 . 1 . 1 39 39 VAL HG22 H 1 0.328 0.005 . 2 . . . . . 39 VAL MG2 . 51184 1 452 . 1 . 1 39 39 VAL HG23 H 1 0.328 0.005 . 2 . . . . . 39 VAL MG2 . 51184 1 453 . 1 . 1 39 39 VAL C C 13 173.889 0.050 . 1 . . . . . 39 VAL C . 51184 1 454 . 1 . 1 39 39 VAL CA C 13 59.959 0.050 . 1 . . . . . 39 VAL CA . 51184 1 455 . 1 . 1 39 39 VAL CB C 13 34.855 0.050 . 1 . . . . . 39 VAL CB . 51184 1 456 . 1 . 1 39 39 VAL CG1 C 13 21.030 0.050 . 2 . . . . . 39 VAL CG1 . 51184 1 457 . 1 . 1 39 39 VAL CG2 C 13 20.163 0.050 . 2 . . . . . 39 VAL CG2 . 51184 1 458 . 1 . 1 39 39 VAL N N 15 119.635 0.050 . 1 . . . . . 39 VAL N . 51184 1 459 . 1 . 1 40 40 LYS H H 1 8.272 0.005 . 1 . . . . . 40 LYS H . 51184 1 460 . 1 . 1 40 40 LYS HA H 1 4.392 0.005 . 1 . . . . . 40 LYS HA . 51184 1 461 . 1 . 1 40 40 LYS HB2 H 1 1.651 0.005 . 2 . . . . . 40 LYS HB2 . 51184 1 462 . 1 . 1 40 40 LYS HB3 H 1 1.508 0.005 . 2 . . . . . 40 LYS HB3 . 51184 1 463 . 1 . 1 40 40 LYS HG2 H 1 1.345 0.005 . 2 . . . . . 40 LYS HG2 . 51184 1 464 . 1 . 1 40 40 LYS HG3 H 1 1.245 0.005 . 2 . . . . . 40 LYS HG3 . 51184 1 465 . 1 . 1 40 40 LYS HD2 H 1 1.520 0.005 . 2 . . . . . 40 LYS HD2 . 51184 1 466 . 1 . 1 40 40 LYS HD3 H 1 1.309 0.005 . 2 . . . . . 40 LYS HD3 . 51184 1 467 . 1 . 1 40 40 LYS HE2 H 1 2.880 0.005 . 1 . . . . . 40 LYS HE2 . 51184 1 468 . 1 . 1 40 40 LYS HE3 H 1 2.880 0.005 . 1 . . . . . 40 LYS HE3 . 51184 1 469 . 1 . 1 40 40 LYS C C 13 177.861 0.050 . 1 . . . . . 40 LYS C . 51184 1 470 . 1 . 1 40 40 LYS CA C 13 55.158 0.050 . 1 . . . . . 40 LYS CA . 51184 1 471 . 1 . 1 40 40 LYS CB C 13 34.342 0.050 . 1 . . . . . 40 LYS CB . 51184 1 472 . 1 . 1 40 40 LYS CG C 13 24.990 0.050 . 1 . . . . . 40 LYS CG . 51184 1 473 . 1 . 1 40 40 LYS CD C 13 29.099 0.050 . 1 . . . . . 40 LYS CD . 51184 1 474 . 1 . 1 40 40 LYS CE C 13 42.104 0.050 . 1 . . . . . 40 LYS CE . 51184 1 475 . 1 . 1 40 40 LYS N N 15 124.993 0.050 . 1 . . . . . 40 LYS N . 51184 1 476 . 1 . 1 41 41 LYS H H 1 8.803 0.005 . 1 . . . . . 41 LYS H . 51184 1 477 . 1 . 1 41 41 LYS HA H 1 3.287 0.005 . 1 . . . . . 41 LYS HA . 51184 1 478 . 1 . 1 41 41 LYS HB2 H 1 1.413 0.005 . 2 . . . . . 41 LYS HB2 . 51184 1 479 . 1 . 1 41 41 LYS HB3 H 1 1.320 0.005 . 2 . . . . . 41 LYS HB3 . 51184 1 480 . 1 . 1 41 41 LYS HG2 H 1 1.050 0.005 . 2 . . . . . 41 LYS HG2 . 51184 1 481 . 1 . 1 41 41 LYS HG3 H 1 0.960 0.005 . 2 . . . . . 41 LYS HG3 . 51184 1 482 . 1 . 1 41 41 LYS HD2 H 1 1.530 0.005 . 2 . . . . . 41 LYS HD2 . 51184 1 483 . 1 . 1 41 41 LYS HD3 H 1 1.490 0.005 . 2 . . . . . 41 LYS HD3 . 51184 1 484 . 1 . 1 41 41 LYS HE2 H 1 2.860 0.005 . 1 . . . . . 41 LYS HE2 . 51184 1 485 . 1 . 1 41 41 LYS HE3 H 1 2.860 0.005 . 1 . . . . . 41 LYS HE3 . 51184 1 486 . 1 . 1 41 41 LYS C C 13 176.204 0.050 . 1 . . . . . 41 LYS C . 51184 1 487 . 1 . 1 41 41 LYS CA C 13 58.270 0.050 . 1 . . . . . 41 LYS CA . 51184 1 488 . 1 . 1 41 41 LYS CB C 13 32.924 0.050 . 1 . . . . . 41 LYS CB . 51184 1 489 . 1 . 1 41 41 LYS CG C 13 24.200 0.050 . 1 . . . . . 41 LYS CG . 51184 1 490 . 1 . 1 41 41 LYS CD C 13 29.990 0.050 . 1 . . . . . 41 LYS CD . 51184 1 491 . 1 . 1 41 41 LYS CE C 13 42.160 0.050 . 1 . . . . . 41 LYS CE . 51184 1 492 . 1 . 1 41 41 LYS N N 15 124.634 0.050 . 1 . . . . . 41 LYS N . 51184 1 493 . 1 . 1 42 42 GLY H H 1 9.105 0.005 . 1 . . . . . 42 GLY H . 51184 1 494 . 1 . 1 42 42 GLY HA2 H 1 4.274 0.005 . 2 . . . . . 42 GLY HA2 . 51184 1 495 . 1 . 1 42 42 GLY HA3 H 1 3.378 0.005 . 2 . . . . . 42 GLY HA3 . 51184 1 496 . 1 . 1 42 42 GLY C C 13 174.027 0.050 . 1 . . . . . 42 GLY C . 51184 1 497 . 1 . 1 42 42 GLY CA C 13 44.868 0.050 . 1 . . . . . 42 GLY CA . 51184 1 498 . 1 . 1 42 42 GLY N N 15 114.492 0.050 . 1 . . . . . 42 GLY N . 51184 1 499 . 1 . 1 43 43 THR H H 1 7.700 0.005 . 1 . . . . . 43 THR H . 51184 1 500 . 1 . 1 43 43 THR HA H 1 4.052 0.005 . 1 . . . . . 43 THR HA . 51184 1 501 . 1 . 1 43 43 THR HB H 1 3.766 0.005 . 1 . . . . . 43 THR HB . 51184 1 502 . 1 . 1 43 43 THR HG21 H 1 1.142 0.005 . 1 . . . . . 43 THR MG . 51184 1 503 . 1 . 1 43 43 THR HG22 H 1 1.142 0.005 . 1 . . . . . 43 THR MG . 51184 1 504 . 1 . 1 43 43 THR HG23 H 1 1.142 0.005 . 1 . . . . . 43 THR MG . 51184 1 505 . 1 . 1 43 43 THR C C 13 173.694 0.050 . 1 . . . . . 43 THR C . 51184 1 506 . 1 . 1 43 43 THR CA C 13 64.427 0.050 . 1 . . . . . 43 THR CA . 51184 1 507 . 1 . 1 43 43 THR CB C 13 69.659 0.050 . 1 . . . . . 43 THR CB . 51184 1 508 . 1 . 1 43 43 THR CG2 C 13 21.285 0.050 . 1 . . . . . 43 THR CG2 . 51184 1 509 . 1 . 1 43 43 THR N N 15 118.347 0.050 . 1 . . . . . 43 THR N . 51184 1 510 . 1 . 1 44 44 THR H H 1 8.679 0.005 . 1 . . . . . 44 THR H . 51184 1 511 . 1 . 1 44 44 THR HA H 1 5.304 0.005 . 1 . . . . . 44 THR HA . 51184 1 512 . 1 . 1 44 44 THR HB H 1 3.897 0.005 . 1 . . . . . 44 THR HB . 51184 1 513 . 1 . 1 44 44 THR HG21 H 1 1.014 0.005 . 1 . . . . . 44 THR MG . 51184 1 514 . 1 . 1 44 44 THR HG22 H 1 1.014 0.005 . 1 . . . . . 44 THR MG . 51184 1 515 . 1 . 1 44 44 THR HG23 H 1 1.014 0.005 . 1 . . . . . 44 THR MG . 51184 1 516 . 1 . 1 44 44 THR C C 13 174.559 0.050 . 1 . . . . . 44 THR C . 51184 1 517 . 1 . 1 44 44 THR CA C 13 61.441 0.050 . 1 . . . . . 44 THR CA . 51184 1 518 . 1 . 1 44 44 THR CB C 13 69.640 0.050 . 1 . . . . . 44 THR CB . 51184 1 519 . 1 . 1 44 44 THR CG2 C 13 21.385 0.050 . 1 . . . . . 44 THR CG2 . 51184 1 520 . 1 . 1 44 44 THR N N 15 122.291 0.050 . 1 . . . . . 44 THR N . 51184 1 521 . 1 . 1 45 45 ILE H H 1 9.169 0.005 . 1 . . . . . 45 ILE H . 51184 1 522 . 1 . 1 45 45 ILE HA H 1 4.186 0.005 . 1 . . . . . 45 ILE HA . 51184 1 523 . 1 . 1 45 45 ILE HB H 1 1.297 0.005 . 1 . . . . . 45 ILE HB . 51184 1 524 . 1 . 1 45 45 ILE HG12 H 1 1.173 0.005 . 2 . . . . . 45 ILE HG12 . 51184 1 525 . 1 . 1 45 45 ILE HG13 H 1 0.831 0.005 . 2 . . . . . 45 ILE HG13 . 51184 1 526 . 1 . 1 45 45 ILE HG21 H 1 0.920 0.005 . 1 . . . . . 45 ILE MG . 51184 1 527 . 1 . 1 45 45 ILE HG22 H 1 0.920 0.005 . 1 . . . . . 45 ILE MG . 51184 1 528 . 1 . 1 45 45 ILE HG23 H 1 0.920 0.005 . 1 . . . . . 45 ILE MG . 51184 1 529 . 1 . 1 45 45 ILE HD11 H 1 0.598 0.005 . 1 . . . . . 45 ILE MD . 51184 1 530 . 1 . 1 45 45 ILE HD12 H 1 0.598 0.005 . 1 . . . . . 45 ILE MD . 51184 1 531 . 1 . 1 45 45 ILE HD13 H 1 0.598 0.005 . 1 . . . . . 45 ILE MD . 51184 1 532 . 1 . 1 45 45 ILE C C 13 174.903 0.050 . 1 . . . . . 45 ILE C . 51184 1 533 . 1 . 1 45 45 ILE CA C 13 60.797 0.050 . 1 . . . . . 45 ILE CA . 51184 1 534 . 1 . 1 45 45 ILE CB C 13 42.571 0.050 . 1 . . . . . 45 ILE CB . 51184 1 535 . 1 . 1 45 45 ILE CG1 C 13 27.718 0.050 . 1 . . . . . 45 ILE CG1 . 51184 1 536 . 1 . 1 45 45 ILE CG2 C 13 18.031 0.050 . 1 . . . . . 45 ILE CG2 . 51184 1 537 . 1 . 1 45 45 ILE CD1 C 13 14.737 0.050 . 1 . . . . . 45 ILE CD1 . 51184 1 538 . 1 . 1 45 45 ILE N N 15 126.794 0.050 . 1 . . . . . 45 ILE N . 51184 1 539 . 1 . 1 46 46 ARG H H 1 8.734 0.005 . 1 . . . . . 46 ARG H . 51184 1 540 . 1 . 1 46 46 ARG HA H 1 4.599 0.005 . 1 . . . . . 46 ARG HA . 51184 1 541 . 1 . 1 46 46 ARG HB2 H 1 1.796 0.005 . 2 . . . . . 46 ARG HB2 . 51184 1 542 . 1 . 1 46 46 ARG HB3 H 1 1.697 0.005 . 2 . . . . . 46 ARG HB3 . 51184 1 543 . 1 . 1 46 46 ARG HG2 H 1 1.675 0.005 . 2 . . . . . 46 ARG HG2 . 51184 1 544 . 1 . 1 46 46 ARG HG3 H 1 1.456 0.005 . 2 . . . . . 46 ARG HG3 . 51184 1 545 . 1 . 1 46 46 ARG HD2 H 1 3.139 0.005 . 1 . . . . . 46 ARG HD2 . 51184 1 546 . 1 . 1 46 46 ARG HD3 H 1 3.139 0.005 . 1 . . . . . 46 ARG HD3 . 51184 1 547 . 1 . 1 46 46 ARG HE H 1 6.220 0.005 . 1 . . . . . 46 ARG HE . 51184 1 548 . 1 . 1 46 46 ARG C C 13 175.642 0.050 . 1 . . . . . 46 ARG C . 51184 1 549 . 1 . 1 46 46 ARG CA C 13 56.090 0.050 . 1 . . . . . 46 ARG CA . 51184 1 550 . 1 . 1 46 46 ARG CB C 13 30.524 0.050 . 1 . . . . . 46 ARG CB . 51184 1 551 . 1 . 1 46 46 ARG CG C 13 28.087 0.050 . 1 . . . . . 46 ARG CG . 51184 1 552 . 1 . 1 46 46 ARG CD C 13 42.941 0.050 . 1 . . . . . 46 ARG CD . 51184 1 553 . 1 . 1 46 46 ARG N N 15 126.694 0.050 . 1 . . . . . 46 ARG N . 51184 1 554 . 1 . 1 46 46 ARG NE N 15 74.240 0.050 . 1 . . . . . 46 ARG NE . 51184 1 555 . 1 . 1 47 47 VAL H H 1 8.638 0.005 . 1 . . . . . 47 VAL H . 51184 1 556 . 1 . 1 47 47 VAL HA H 1 4.107 0.005 . 1 . . . . . 47 VAL HA . 51184 1 557 . 1 . 1 47 47 VAL HB H 1 1.799 0.005 . 1 . . . . . 47 VAL HB . 51184 1 558 . 1 . 1 47 47 VAL HG11 H 1 0.921 0.005 . 2 . . . . . 47 VAL MG1 . 51184 1 559 . 1 . 1 47 47 VAL HG12 H 1 0.921 0.005 . 2 . . . . . 47 VAL MG1 . 51184 1 560 . 1 . 1 47 47 VAL HG13 H 1 0.921 0.005 . 2 . . . . . 47 VAL MG1 . 51184 1 561 . 1 . 1 47 47 VAL HG21 H 1 0.667 0.005 . 2 . . . . . 47 VAL MG2 . 51184 1 562 . 1 . 1 47 47 VAL HG22 H 1 0.667 0.005 . 2 . . . . . 47 VAL MG2 . 51184 1 563 . 1 . 1 47 47 VAL HG23 H 1 0.667 0.005 . 2 . . . . . 47 VAL MG2 . 51184 1 564 . 1 . 1 47 47 VAL C C 13 175.673 0.050 . 1 . . . . . 47 VAL C . 51184 1 565 . 1 . 1 47 47 VAL CA C 13 61.962 0.050 . 1 . . . . . 47 VAL CA . 51184 1 566 . 1 . 1 47 47 VAL CB C 13 33.667 0.050 . 1 . . . . . 47 VAL CB . 51184 1 567 . 1 . 1 47 47 VAL CG1 C 13 24.303 0.050 . 2 . . . . . 47 VAL CG1 . 51184 1 568 . 1 . 1 47 47 VAL CG2 C 13 22.229 0.050 . 2 . . . . . 47 VAL CG2 . 51184 1 569 . 1 . 1 47 47 VAL N N 15 125.501 0.050 . 1 . . . . . 47 VAL N . 51184 1 570 . 1 . 1 48 48 GLN H H 1 9.098 0.005 . 1 . . . . . 48 GLN H . 51184 1 571 . 1 . 1 48 48 GLN HA H 1 4.213 0.005 . 1 . . . . . 48 GLN HA . 51184 1 572 . 1 . 1 48 48 GLN HB2 H 1 1.945 0.005 . 2 . . . . . 48 GLN HB2 . 51184 1 573 . 1 . 1 48 48 GLN HB3 H 1 1.576 0.005 . 2 . . . . . 48 GLN HB3 . 51184 1 574 . 1 . 1 48 48 GLN HG2 H 1 2.225 0.005 . 2 . . . . . 48 GLN HG2 . 51184 1 575 . 1 . 1 48 48 GLN HG3 H 1 2.177 0.005 . 2 . . . . . 48 GLN HG3 . 51184 1 576 . 1 . 1 48 48 GLN HE21 H 1 7.322 0.005 . 2 . . . . . 48 GLN HE21 . 51184 1 577 . 1 . 1 48 48 GLN HE22 H 1 6.702 0.005 . 2 . . . . . 48 GLN HE22 . 51184 1 578 . 1 . 1 48 48 GLN C C 13 176.566 0.050 . 1 . . . . . 48 GLN C . 51184 1 579 . 1 . 1 48 48 GLN CA C 13 56.764 0.050 . 1 . . . . . 48 GLN CA . 51184 1 580 . 1 . 1 48 48 GLN CB C 13 29.917 0.050 . 1 . . . . . 48 GLN CB . 51184 1 581 . 1 . 1 48 48 GLN CG C 13 34.107 0.050 . 1 . . . . . 48 GLN CG . 51184 1 582 . 1 . 1 48 48 GLN N N 15 124.455 0.050 . 1 . . . . . 48 GLN N . 51184 1 583 . 1 . 1 48 48 GLN NE2 N 15 109.573 0.050 . 1 . . . . . 48 GLN NE2 . 51184 1 584 . 1 . 1 49 49 GLY H H 1 7.446 0.005 . 1 . . . . . 49 GLY H . 51184 1 585 . 1 . 1 49 49 GLY HA2 H 1 4.175 0.005 . 2 . . . . . 49 GLY HA2 . 51184 1 586 . 1 . 1 49 49 GLY HA3 H 1 3.799 0.005 . 2 . . . . . 49 GLY HA3 . 51184 1 587 . 1 . 1 49 49 GLY C C 13 169.740 0.050 . 1 . . . . . 49 GLY C . 51184 1 588 . 1 . 1 49 49 GLY CA C 13 45.046 0.050 . 1 . . . . . 49 GLY CA . 51184 1 589 . 1 . 1 49 49 GLY N N 15 105.032 0.050 . 1 . . . . . 49 GLY N . 51184 1 590 . 1 . 1 50 50 ILE H H 1 8.497 0.005 . 1 . . . . . 50 ILE H . 51184 1 591 . 1 . 1 50 50 ILE HA H 1 4.937 0.005 . 1 . . . . . 50 ILE HA . 51184 1 592 . 1 . 1 50 50 ILE HB H 1 1.602 0.005 . 1 . . . . . 50 ILE HB . 51184 1 593 . 1 . 1 50 50 ILE HG12 H 1 1.092 0.005 . 2 . . . . . 50 ILE HG12 . 51184 1 594 . 1 . 1 50 50 ILE HG13 H 1 0.956 0.005 . 2 . . . . . 50 ILE HG13 . 51184 1 595 . 1 . 1 50 50 ILE HG21 H 1 0.432 0.005 . 1 . . . . . 50 ILE MG . 51184 1 596 . 1 . 1 50 50 ILE HG22 H 1 0.432 0.005 . 1 . . . . . 50 ILE MG . 51184 1 597 . 1 . 1 50 50 ILE HG23 H 1 0.432 0.005 . 1 . . . . . 50 ILE MG . 51184 1 598 . 1 . 1 50 50 ILE HD11 H 1 0.391 0.005 . 1 . . . . . 50 ILE MD . 51184 1 599 . 1 . 1 50 50 ILE HD12 H 1 0.391 0.005 . 1 . . . . . 50 ILE MD . 51184 1 600 . 1 . 1 50 50 ILE HD13 H 1 0.391 0.005 . 1 . . . . . 50 ILE MD . 51184 1 601 . 1 . 1 50 50 ILE C C 13 175.928 0.050 . 1 . . . . . 50 ILE C . 51184 1 602 . 1 . 1 50 50 ILE CA C 13 59.081 0.050 . 1 . . . . . 50 ILE CA . 51184 1 603 . 1 . 1 50 50 ILE CB C 13 39.305 0.050 . 1 . . . . . 50 ILE CB . 51184 1 604 . 1 . 1 50 50 ILE CG1 C 13 27.603 0.050 . 1 . . . . . 50 ILE CG1 . 51184 1 605 . 1 . 1 50 50 ILE CG2 C 13 17.342 0.050 . 1 . . . . . 50 ILE CG2 . 51184 1 606 . 1 . 1 50 50 ILE CD1 C 13 11.967 0.050 . 1 . . . . . 50 ILE CD1 . 51184 1 607 . 1 . 1 50 50 ILE N N 15 119.585 0.050 . 1 . . . . . 50 ILE N . 51184 1 608 . 1 . 1 51 51 GLU H H 1 8.541 0.005 . 1 . . . . . 51 GLU H . 51184 1 609 . 1 . 1 51 51 GLU HA H 1 4.607 0.005 . 1 . . . . . 51 GLU HA . 51184 1 610 . 1 . 1 51 51 GLU HB2 H 1 2.023 0.005 . 2 . . . . . 51 GLU HB2 . 51184 1 611 . 1 . 1 51 51 GLU HB3 H 1 1.529 0.005 . 2 . . . . . 51 GLU HB3 . 51184 1 612 . 1 . 1 51 51 GLU HG2 H 1 2.289 0.005 . 2 . . . . . 51 GLU HG2 . 51184 1 613 . 1 . 1 51 51 GLU HG3 H 1 2.138 0.005 . 2 . . . . . 51 GLU HG3 . 51184 1 614 . 1 . 1 51 51 GLU C C 13 174.175 0.050 . 1 . . . . . 51 GLU C . 51184 1 615 . 1 . 1 51 51 GLU CA C 13 54.620 0.050 . 1 . . . . . 51 GLU CA . 51184 1 616 . 1 . 1 51 51 GLU CB C 13 35.642 0.050 . 1 . . . . . 51 GLU CB . 51184 1 617 . 1 . 1 51 51 GLU CG C 13 37.216 0.050 . 1 . . . . . 51 GLU CG . 51184 1 618 . 1 . 1 51 51 GLU N N 15 126.751 0.050 . 1 . . . . . 51 GLU N . 51184 1 619 . 1 . 1 52 52 TYR H H 1 8.875 0.005 . 1 . . . . . 52 TYR H . 51184 1 620 . 1 . 1 52 52 TYR HA H 1 4.807 0.005 . 1 . . . . . 52 TYR HA . 51184 1 621 . 1 . 1 52 52 TYR HB2 H 1 2.645 0.005 . 2 . . . . . 52 TYR HB2 . 51184 1 622 . 1 . 1 52 52 TYR HB3 H 1 2.473 0.005 . 2 . . . . . 52 TYR HB3 . 51184 1 623 . 1 . 1 52 52 TYR C C 13 176.169 0.050 . 1 . . . . . 52 TYR C . 51184 1 624 . 1 . 1 52 52 TYR CA C 13 57.951 0.050 . 1 . . . . . 52 TYR CA . 51184 1 625 . 1 . 1 52 52 TYR CB C 13 41.127 0.050 . 1 . . . . . 52 TYR CB . 51184 1 626 . 1 . 1 52 52 TYR N N 15 120.488 0.050 . 1 . . . . . 52 TYR N . 51184 1 627 . 1 . 1 53 53 SER H H 1 8.821 0.005 . 1 . . . . . 53 SER H . 51184 1 628 . 1 . 1 53 53 SER HA H 1 4.310 0.005 . 1 . . . . . 53 SER HA . 51184 1 629 . 1 . 1 53 53 SER HB2 H 1 4.109 0.005 . 2 . . . . . 53 SER HB2 . 51184 1 630 . 1 . 1 53 53 SER HB3 H 1 3.462 0.005 . 2 . . . . . 53 SER HB3 . 51184 1 631 . 1 . 1 53 53 SER C C 13 176.157 0.050 . 1 . . . . . 53 SER C . 51184 1 632 . 1 . 1 53 53 SER CA C 13 57.516 0.050 . 1 . . . . . 53 SER CA . 51184 1 633 . 1 . 1 53 53 SER CB C 13 64.647 0.050 . 1 . . . . . 53 SER CB . 51184 1 634 . 1 . 1 53 53 SER N N 15 118.210 0.050 . 1 . . . . . 53 SER N . 51184 1 635 . 1 . 1 54 54 LYS H H 1 10.796 0.005 . 1 . . . . . 54 LYS H . 51184 1 636 . 1 . 1 54 54 LYS HA H 1 3.923 0.005 . 1 . . . . . 54 LYS HA . 51184 1 637 . 1 . 1 54 54 LYS HB2 H 1 1.751 0.005 . 2 . . . . . 54 LYS HB2 . 51184 1 638 . 1 . 1 54 54 LYS HB3 H 1 1.615 0.005 . 2 . . . . . 54 LYS HB3 . 51184 1 639 . 1 . 1 54 54 LYS HG2 H 1 1.318 0.005 . 1 . . . . . 54 LYS HG2 . 51184 1 640 . 1 . 1 54 54 LYS HG3 H 1 1.318 0.005 . 1 . . . . . 54 LYS HG3 . 51184 1 641 . 1 . 1 54 54 LYS HD2 H 1 1.506 0.005 . 1 . . . . . 54 LYS HD2 . 51184 1 642 . 1 . 1 54 54 LYS HD3 H 1 1.506 0.005 . 1 . . . . . 54 LYS HD3 . 51184 1 643 . 1 . 1 54 54 LYS HE2 H 1 2.835 0.005 . 1 . . . . . 54 LYS HE2 . 51184 1 644 . 1 . 1 54 54 LYS HE3 H 1 2.835 0.005 . 1 . . . . . 54 LYS HE3 . 51184 1 645 . 1 . 1 54 54 LYS C C 13 178.060 0.050 . 1 . . . . . 54 LYS C . 51184 1 646 . 1 . 1 54 54 LYS CA C 13 59.658 0.050 . 1 . . . . . 54 LYS CA . 51184 1 647 . 1 . 1 54 54 LYS CB C 13 31.815 0.050 . 1 . . . . . 54 LYS CB . 51184 1 648 . 1 . 1 54 54 LYS CG C 13 24.834 0.050 . 1 . . . . . 54 LYS CG . 51184 1 649 . 1 . 1 54 54 LYS CD C 13 29.267 0.050 . 1 . . . . . 54 LYS CD . 51184 1 650 . 1 . 1 54 54 LYS CE C 13 42.011 0.050 . 1 . . . . . 54 LYS CE . 51184 1 651 . 1 . 1 54 54 LYS N N 15 125.449 0.050 . 1 . . . . . 54 LYS N . 51184 1 652 . 1 . 1 55 55 ASN H H 1 7.978 0.005 . 1 . . . . . 55 ASN H . 51184 1 653 . 1 . 1 55 55 ASN HA H 1 4.672 0.005 . 1 . . . . . 55 ASN HA . 51184 1 654 . 1 . 1 55 55 ASN HB2 H 1 2.785 0.005 . 2 . . . . . 55 ASN HB2 . 51184 1 655 . 1 . 1 55 55 ASN HB3 H 1 2.461 0.005 . 2 . . . . . 55 ASN HB3 . 51184 1 656 . 1 . 1 55 55 ASN HD21 H 1 7.486 0.005 . 2 . . . . . 55 ASN HD21 . 51184 1 657 . 1 . 1 55 55 ASN HD22 H 1 7.009 0.005 . 2 . . . . . 55 ASN HD22 . 51184 1 658 . 1 . 1 55 55 ASN C C 13 174.582 0.050 . 1 . . . . . 55 ASN C . 51184 1 659 . 1 . 1 55 55 ASN CA C 13 52.681 0.050 . 1 . . . . . 55 ASN CA . 51184 1 660 . 1 . 1 55 55 ASN CB C 13 38.159 0.050 . 1 . . . . . 55 ASN CB . 51184 1 661 . 1 . 1 55 55 ASN N N 15 113.266 0.050 . 1 . . . . . 55 ASN N . 51184 1 662 . 1 . 1 55 55 ASN ND2 N 15 112.506 0.050 . 1 . . . . . 55 ASN ND2 . 51184 1 663 . 1 . 1 56 56 GLY H H 1 7.857 0.005 . 1 . . . . . 56 GLY H . 51184 1 664 . 1 . 1 56 56 GLY HA2 H 1 3.888 0.005 . 2 . . . . . 56 GLY HA2 . 51184 1 665 . 1 . 1 56 56 GLY HA3 H 1 3.866 0.005 . 2 . . . . . 56 GLY HA3 . 51184 1 666 . 1 . 1 56 56 GLY C C 13 174.117 0.050 . 1 . . . . . 56 GLY C . 51184 1 667 . 1 . 1 56 56 GLY CA C 13 45.574 0.050 . 1 . . . . . 56 GLY CA . 51184 1 668 . 1 . 1 56 56 GLY N N 15 106.163 0.050 . 1 . . . . . 56 GLY N . 51184 1 669 . 1 . 1 57 57 TYR H H 1 7.688 0.005 . 1 . . . . . 57 TYR H . 51184 1 670 . 1 . 1 57 57 TYR HA H 1 4.230 0.005 . 1 . . . . . 57 TYR HA . 51184 1 671 . 1 . 1 57 57 TYR HB2 H 1 2.430 0.005 . 2 . . . . . 57 TYR HB2 . 51184 1 672 . 1 . 1 57 57 TYR HB3 H 1 2.150 0.005 . 2 . . . . . 57 TYR HB3 . 51184 1 673 . 1 . 1 57 57 TYR HD1 H 1 6.420 0.005 . 1 . . . . . 57 TYR HD . 51184 1 674 . 1 . 1 57 57 TYR HD2 H 1 6.420 0.005 . 1 . . . . . 57 TYR HD . 51184 1 675 . 1 . 1 57 57 TYR HE1 H 1 6.650 0.005 . 1 . . . . . 57 TYR HE . 51184 1 676 . 1 . 1 57 57 TYR HE2 H 1 6.650 0.005 . 1 . . . . . 57 TYR HE . 51184 1 677 . 1 . 1 57 57 TYR C C 13 174.210 0.050 . 1 . . . . . 57 TYR C . 51184 1 678 . 1 . 1 57 57 TYR CA C 13 55.784 0.050 . 1 . . . . . 57 TYR CA . 51184 1 679 . 1 . 1 57 57 TYR CB C 13 37.171 0.050 . 1 . . . . . 57 TYR CB . 51184 1 680 . 1 . 1 57 57 TYR N N 15 118.434 0.050 . 1 . . . . . 57 TYR N . 51184 1 681 . 1 . 1 58 58 PRO HA H 1 3.667 0.005 . 1 . . . . . 58 PRO HA . 51184 1 682 . 1 . 1 58 58 PRO HB2 H 1 1.731 0.005 . 2 . . . . . 58 PRO HB2 . 51184 1 683 . 1 . 1 58 58 PRO HB3 H 1 1.550 0.005 . 2 . . . . . 58 PRO HB3 . 51184 1 684 . 1 . 1 58 58 PRO HG2 H 1 1.990 0.005 . 2 . . . . . 58 PRO HG2 . 51184 1 685 . 1 . 1 58 58 PRO HG3 H 1 1.670 0.005 . 2 . . . . . 58 PRO HG3 . 51184 1 686 . 1 . 1 58 58 PRO HD2 H 1 3.615 0.005 . 1 . . . . . 58 PRO HD2 . 51184 1 687 . 1 . 1 58 58 PRO HD3 H 1 3.615 0.005 . 1 . . . . . 58 PRO HD3 . 51184 1 688 . 1 . 1 58 58 PRO C C 13 177.371 0.050 . 1 . . . . . 58 PRO C . 51184 1 689 . 1 . 1 58 58 PRO CA C 13 62.088 0.050 . 1 . . . . . 58 PRO CA . 51184 1 690 . 1 . 1 58 58 PRO CB C 13 30.888 0.050 . 1 . . . . . 58 PRO CB . 51184 1 691 . 1 . 1 58 58 PRO CG C 13 27.653 0.050 . 1 . . . . . 58 PRO CG . 51184 1 692 . 1 . 1 58 58 PRO CD C 13 50.094 0.050 . 1 . . . . . 58 PRO CD . 51184 1 693 . 1 . 1 59 59 ARG H H 1 9.408 0.005 . 1 . . . . . 59 ARG H . 51184 1 694 . 1 . 1 59 59 ARG HA H 1 4.520 0.005 . 1 . . . . . 59 ARG HA . 51184 1 695 . 1 . 1 59 59 ARG HB2 H 1 1.708 0.005 . 1 . . . . . 59 ARG HB2 . 51184 1 696 . 1 . 1 59 59 ARG HB3 H 1 1.708 0.005 . 1 . . . . . 59 ARG HB3 . 51184 1 697 . 1 . 1 59 59 ARG HG2 H 1 1.661 0.005 . 2 . . . . . 59 ARG HG2 . 51184 1 698 . 1 . 1 59 59 ARG HG3 H 1 0.976 0.005 . 2 . . . . . 59 ARG HG3 . 51184 1 699 . 1 . 1 59 59 ARG HD2 H 1 2.566 0.005 . 2 . . . . . 59 ARG HD2 . 51184 1 700 . 1 . 1 59 59 ARG HD3 H 1 2.392 0.005 . 2 . . . . . 59 ARG HD3 . 51184 1 701 . 1 . 1 59 59 ARG HE H 1 6.494 0.005 . 1 . . . . . 59 ARG HE . 51184 1 702 . 1 . 1 59 59 ARG C C 13 174.733 0.050 . 1 . . . . . 59 ARG C . 51184 1 703 . 1 . 1 59 59 ARG CA C 13 52.941 0.050 . 1 . . . . . 59 ARG CA . 51184 1 704 . 1 . 1 59 59 ARG CB C 13 33.065 0.050 . 1 . . . . . 59 ARG CB . 51184 1 705 . 1 . 1 59 59 ARG CG C 13 26.776 0.050 . 1 . . . . . 59 ARG CG . 51184 1 706 . 1 . 1 59 59 ARG CD C 13 42.714 0.050 . 1 . . . . . 59 ARG CD . 51184 1 707 . 1 . 1 59 59 ARG N N 15 123.865 0.050 . 1 . . . . . 59 ARG N . 51184 1 708 . 1 . 1 59 59 ARG NE N 15 85.200 0.050 . 1 . . . . . 59 ARG NE . 51184 1 709 . 1 . 1 60 60 LEU H H 1 9.009 0.005 . 1 . . . . . 60 LEU H . 51184 1 710 . 1 . 1 60 60 LEU HA H 1 4.657 0.005 . 1 . . . . . 60 LEU HA . 51184 1 711 . 1 . 1 60 60 LEU HB2 H 1 2.105 0.005 . 2 . . . . . 60 LEU HB2 . 51184 1 712 . 1 . 1 60 60 LEU HB3 H 1 1.101 0.005 . 2 . . . . . 60 LEU HB3 . 51184 1 713 . 1 . 1 60 60 LEU HG H 1 0.831 0.005 . 1 . . . . . 60 LEU HG . 51184 1 714 . 1 . 1 60 60 LEU HD11 H 1 1.581 0.005 . 2 . . . . . 60 LEU MD1 . 51184 1 715 . 1 . 1 60 60 LEU HD12 H 1 1.581 0.005 . 2 . . . . . 60 LEU MD1 . 51184 1 716 . 1 . 1 60 60 LEU HD13 H 1 1.581 0.005 . 2 . . . . . 60 LEU MD1 . 51184 1 717 . 1 . 1 60 60 LEU HD21 H 1 0.618 0.005 . 2 . . . . . 60 LEU MD2 . 51184 1 718 . 1 . 1 60 60 LEU HD22 H 1 0.618 0.005 . 2 . . . . . 60 LEU MD2 . 51184 1 719 . 1 . 1 60 60 LEU HD23 H 1 0.618 0.005 . 2 . . . . . 60 LEU MD2 . 51184 1 720 . 1 . 1 60 60 LEU C C 13 175.328 0.050 . 1 . . . . . 60 LEU C . 51184 1 721 . 1 . 1 60 60 LEU CA C 13 53.968 0.050 . 1 . . . . . 60 LEU CA . 51184 1 722 . 1 . 1 60 60 LEU CB C 13 39.553 0.050 . 1 . . . . . 60 LEU CB . 51184 1 723 . 1 . 1 60 60 LEU CG C 13 27.681 0.050 . 1 . . . . . 60 LEU CG . 51184 1 724 . 1 . 1 60 60 LEU CD1 C 13 26.097 0.050 . 2 . . . . . 60 LEU CD1 . 51184 1 725 . 1 . 1 60 60 LEU CD2 C 13 23.344 0.050 . 2 . . . . . 60 LEU CD2 . 51184 1 726 . 1 . 1 60 60 LEU N N 15 119.016 0.050 . 1 . . . . . 60 LEU N . 51184 1 727 . 1 . 1 61 61 LYS H H 1 8.909 0.005 . 1 . . . . . 61 LYS H . 51184 1 728 . 1 . 1 61 61 LYS HA H 1 4.190 0.005 . 1 . . . . . 61 LYS HA . 51184 1 729 . 1 . 1 61 61 LYS HB2 H 1 1.643 0.005 . 2 . . . . . 61 LYS HB2 . 51184 1 730 . 1 . 1 61 61 LYS HB3 H 1 1.356 0.005 . 2 . . . . . 61 LYS HB3 . 51184 1 731 . 1 . 1 61 61 LYS HG2 H 1 1.102 0.005 . 2 . . . . . 61 LYS HG2 . 51184 1 732 . 1 . 1 61 61 LYS HG3 H 1 0.943 0.005 . 2 . . . . . 61 LYS HG3 . 51184 1 733 . 1 . 1 61 61 LYS HD2 H 1 1.421 0.005 . 2 . . . . . 61 LYS HD2 . 51184 1 734 . 1 . 1 61 61 LYS HD3 H 1 1.335 0.005 . 2 . . . . . 61 LYS HD3 . 51184 1 735 . 1 . 1 61 61 LYS HE2 H 1 2.858 0.005 . 2 . . . . . 61 LYS HE2 . 51184 1 736 . 1 . 1 61 61 LYS HE3 H 1 2.719 0.005 . 2 . . . . . 61 LYS HE3 . 51184 1 737 . 1 . 1 61 61 LYS C C 13 174.718 0.050 . 1 . . . . . 61 LYS C . 51184 1 738 . 1 . 1 61 61 LYS CA C 13 56.797 0.050 . 1 . . . . . 61 LYS CA . 51184 1 739 . 1 . 1 61 61 LYS CB C 13 34.011 0.050 . 1 . . . . . 61 LYS CB . 51184 1 740 . 1 . 1 61 61 LYS CG C 13 25.165 0.050 . 1 . . . . . 61 LYS CG . 51184 1 741 . 1 . 1 61 61 LYS CD C 13 29.101 0.050 . 1 . . . . . 61 LYS CD . 51184 1 742 . 1 . 1 61 61 LYS CE C 13 42.370 0.050 . 1 . . . . . 61 LYS CE . 51184 1 743 . 1 . 1 61 61 LYS N N 15 125.670 0.050 . 1 . . . . . 61 LYS N . 51184 1 744 . 1 . 1 62 62 THR H H 1 7.978 0.005 . 1 . . . . . 62 THR H . 51184 1 745 . 1 . 1 62 62 THR HA H 1 4.966 0.005 . 1 . . . . . 62 THR HA . 51184 1 746 . 1 . 1 62 62 THR HB H 1 4.521 0.005 . 1 . . . . . 62 THR HB . 51184 1 747 . 1 . 1 62 62 THR HG21 H 1 1.180 0.005 . 1 . . . . . 62 THR MG . 51184 1 748 . 1 . 1 62 62 THR HG22 H 1 1.180 0.005 . 1 . . . . . 62 THR MG . 51184 1 749 . 1 . 1 62 62 THR HG23 H 1 1.180 0.005 . 1 . . . . . 62 THR MG . 51184 1 750 . 1 . 1 62 62 THR C C 13 175.238 0.050 . 1 . . . . . 62 THR C . 51184 1 751 . 1 . 1 62 62 THR CA C 13 60.248 0.050 . 1 . . . . . 62 THR CA . 51184 1 752 . 1 . 1 62 62 THR CB C 13 72.335 0.050 . 1 . . . . . 62 THR CB . 51184 1 753 . 1 . 1 62 62 THR CG2 C 13 21.178 0.050 . 1 . . . . . 62 THR CG2 . 51184 1 754 . 1 . 1 62 62 THR N N 15 119.735 0.050 . 1 . . . . . 62 THR N . 51184 1 755 . 1 . 1 63 63 SER H H 1 9.379 0.005 . 1 . . . . . 63 SER H . 51184 1 756 . 1 . 1 63 63 SER HA H 1 4.027 0.005 . 1 . . . . . 63 SER HA . 51184 1 757 . 1 . 1 63 63 SER HB2 H 1 3.825 0.005 . 2 . . . . . 63 SER HB2 . 51184 1 758 . 1 . 1 63 63 SER HB3 H 1 3.737 0.005 . 2 . . . . . 63 SER HB3 . 51184 1 759 . 1 . 1 63 63 SER C C 13 175.198 0.050 . 1 . . . . . 63 SER C . 51184 1 760 . 1 . 1 63 63 SER CA C 13 61.086 0.050 . 1 . . . . . 63 SER CA . 51184 1 761 . 1 . 1 63 63 SER CB C 13 63.012 0.050 . 1 . . . . . 63 SER CB . 51184 1 762 . 1 . 1 63 63 SER N N 15 116.128 0.050 . 1 . . . . . 63 SER N . 51184 1 763 . 1 . 1 64 64 GLN H H 1 7.689 0.005 . 1 . . . . . 64 GLN H . 51184 1 764 . 1 . 1 64 64 GLN HA H 1 4.130 0.005 . 1 . . . . . 64 GLN HA . 51184 1 765 . 1 . 1 64 64 GLN HB2 H 1 1.218 0.005 . 2 . . . . . 64 GLN HB2 . 51184 1 766 . 1 . 1 64 64 GLN HB3 H 1 0.434 0.005 . 2 . . . . . 64 GLN HB3 . 51184 1 767 . 1 . 1 64 64 GLN HG2 H 1 1.768 0.005 . 2 . . . . . 64 GLN HG2 . 51184 1 768 . 1 . 1 64 64 GLN HG3 H 1 1.813 0.005 . 2 . . . . . 64 GLN HG3 . 51184 1 769 . 1 . 1 64 64 GLN HE21 H 1 7.189 0.005 . 2 . . . . . 64 GLN HE21 . 51184 1 770 . 1 . 1 64 64 GLN HE22 H 1 6.762 0.005 . 2 . . . . . 64 GLN HE22 . 51184 1 771 . 1 . 1 64 64 GLN C C 13 173.605 0.050 . 1 . . . . . 64 GLN C . 51184 1 772 . 1 . 1 64 64 GLN CA C 13 54.852 0.050 . 1 . . . . . 64 GLN CA . 51184 1 773 . 1 . 1 64 64 GLN CB C 13 28.631 0.050 . 1 . . . . . 64 GLN CB . 51184 1 774 . 1 . 1 64 64 GLN CG C 13 34.670 0.050 . 1 . . . . . 64 GLN CG . 51184 1 775 . 1 . 1 64 64 GLN N N 15 117.655 0.050 . 1 . . . . . 64 GLN N . 51184 1 776 . 1 . 1 64 64 GLN NE2 N 15 111.974 0.050 . 1 . . . . . 64 GLN NE2 . 51184 1 777 . 1 . 1 65 65 GLY H H 1 6.987 0.005 . 1 . . . . . 65 GLY H . 51184 1 778 . 1 . 1 65 65 GLY HA2 H 1 4.367 0.005 . 2 . . . . . 65 GLY HA2 . 51184 1 779 . 1 . 1 65 65 GLY HA3 H 1 3.512 0.005 . 2 . . . . . 65 GLY HA3 . 51184 1 780 . 1 . 1 65 65 GLY C C 13 173.906 0.050 . 1 . . . . . 65 GLY C . 51184 1 781 . 1 . 1 65 65 GLY CA C 13 43.506 0.050 . 1 . . . . . 65 GLY CA . 51184 1 782 . 1 . 1 65 65 GLY N N 15 105.905 0.050 . 1 . . . . . 65 GLY N . 51184 1 783 . 1 . 1 66 66 TYR H H 1 9.945 0.005 . 1 . . . . . 66 TYR H . 51184 1 784 . 1 . 1 66 66 TYR HA H 1 5.614 0.005 . 1 . . . . . 66 TYR HA . 51184 1 785 . 1 . 1 66 66 TYR HB2 H 1 2.910 0.005 . 1 . . . . . 66 TYR HB2 . 51184 1 786 . 1 . 1 66 66 TYR HB3 H 1 2.910 0.005 . 1 . . . . . 66 TYR HB3 . 51184 1 787 . 1 . 1 66 66 TYR HD1 H 1 6.750 0.005 . 1 . . . . . 66 TYR HD . 51184 1 788 . 1 . 1 66 66 TYR HD2 H 1 6.750 0.005 . 1 . . . . . 66 TYR HD . 51184 1 789 . 1 . 1 66 66 TYR HE1 H 1 6.630 0.005 . 1 . . . . . 66 TYR HE . 51184 1 790 . 1 . 1 66 66 TYR HE2 H 1 6.630 0.005 . 1 . . . . . 66 TYR HE . 51184 1 791 . 1 . 1 66 66 TYR C C 13 175.389 0.050 . 1 . . . . . 66 TYR C . 51184 1 792 . 1 . 1 66 66 TYR CA C 13 58.174 0.050 . 1 . . . . . 66 TYR CA . 51184 1 793 . 1 . 1 66 66 TYR CB C 13 42.096 0.050 . 1 . . . . . 66 TYR CB . 51184 1 794 . 1 . 1 66 66 TYR N N 15 122.318 0.050 . 1 . . . . . 66 TYR N . 51184 1 795 . 1 . 1 67 67 ILE H H 1 9.190 0.005 . 1 . . . . . 67 ILE H . 51184 1 796 . 1 . 1 67 67 ILE HA H 1 4.767 0.005 . 1 . . . . . 67 ILE HA . 51184 1 797 . 1 . 1 67 67 ILE HB H 1 1.726 0.005 . 1 . . . . . 67 ILE HB . 51184 1 798 . 1 . 1 67 67 ILE HG12 H 1 1.372 0.005 . 2 . . . . . 67 ILE HG12 . 51184 1 799 . 1 . 1 67 67 ILE HG13 H 1 1.082 0.005 . 2 . . . . . 67 ILE HG13 . 51184 1 800 . 1 . 1 67 67 ILE HG21 H 1 0.931 0.005 . 1 . . . . . 67 ILE MG . 51184 1 801 . 1 . 1 67 67 ILE HG22 H 1 0.931 0.005 . 1 . . . . . 67 ILE MG . 51184 1 802 . 1 . 1 67 67 ILE HG23 H 1 0.931 0.005 . 1 . . . . . 67 ILE MG . 51184 1 803 . 1 . 1 67 67 ILE HD11 H 1 0.341 0.005 . 1 . . . . . 67 ILE MD . 51184 1 804 . 1 . 1 67 67 ILE HD12 H 1 0.341 0.005 . 1 . . . . . 67 ILE MD . 51184 1 805 . 1 . 1 67 67 ILE HD13 H 1 0.341 0.005 . 1 . . . . . 67 ILE MD . 51184 1 806 . 1 . 1 67 67 ILE C C 13 175.306 0.050 . 1 . . . . . 67 ILE C . 51184 1 807 . 1 . 1 67 67 ILE CA C 13 58.111 0.050 . 1 . . . . . 67 ILE CA . 51184 1 808 . 1 . 1 67 67 ILE CB C 13 42.477 0.050 . 1 . . . . . 67 ILE CB . 51184 1 809 . 1 . 1 67 67 ILE CG1 C 13 27.738 0.050 . 1 . . . . . 67 ILE CG1 . 51184 1 810 . 1 . 1 67 67 ILE CG2 C 13 18.181 0.050 . 1 . . . . . 67 ILE CG2 . 51184 1 811 . 1 . 1 67 67 ILE CD1 C 13 12.380 0.050 . 1 . . . . . 67 ILE CD1 . 51184 1 812 . 1 . 1 67 67 ILE N N 15 117.626 0.050 . 1 . . . . . 67 ILE N . 51184 1 813 . 1 . 1 68 68 THR H H 1 8.652 0.005 . 1 . . . . . 68 THR H . 51184 1 814 . 1 . 1 68 68 THR HA H 1 4.579 0.005 . 1 . . . . . 68 THR HA . 51184 1 815 . 1 . 1 68 68 THR HB H 1 4.434 0.005 . 1 . . . . . 68 THR HB . 51184 1 816 . 1 . 1 68 68 THR HG21 H 1 1.239 0.005 . 1 . . . . . 68 THR MG . 51184 1 817 . 1 . 1 68 68 THR HG22 H 1 1.239 0.005 . 1 . . . . . 68 THR MG . 51184 1 818 . 1 . 1 68 68 THR HG23 H 1 1.239 0.005 . 1 . . . . . 68 THR MG . 51184 1 819 . 1 . 1 68 68 THR C C 13 169.527 0.050 . 1 . . . . . 68 THR C . 51184 1 820 . 1 . 1 68 68 THR CA C 13 61.542 0.050 . 1 . . . . . 68 THR CA . 51184 1 821 . 1 . 1 68 68 THR CB C 13 69.148 0.050 . 1 . . . . . 68 THR CB . 51184 1 822 . 1 . 1 68 68 THR CG2 C 13 21.187 0.050 . 1 . . . . . 68 THR CG2 . 51184 1 823 . 1 . 1 68 68 THR N N 15 119.259 0.050 . 1 . . . . . 68 THR N . 51184 1 824 . 1 . 1 69 69 SER H H 1 8.038 0.005 . 1 . . . . . 69 SER H . 51184 1 825 . 1 . 1 69 69 SER HA H 1 4.659 0.005 . 1 . . . . . 69 SER HA . 51184 1 826 . 1 . 1 69 69 SER HB2 H 1 4.501 0.005 . 2 . . . . . 69 SER HB2 . 51184 1 827 . 1 . 1 69 69 SER HB3 H 1 3.487 0.005 . 2 . . . . . 69 SER HB3 . 51184 1 828 . 1 . 1 69 69 SER C C 13 175.287 0.050 . 1 . . . . . 69 SER C . 51184 1 829 . 1 . 1 69 69 SER CA C 13 56.843 0.050 . 1 . . . . . 69 SER CA . 51184 1 830 . 1 . 1 69 69 SER CB C 13 65.790 0.050 . 1 . . . . . 69 SER CB . 51184 1 831 . 1 . 1 69 69 SER N N 15 114.680 0.050 . 1 . . . . . 69 SER N . 51184 1 832 . 1 . 1 70 70 ASN H H 1 8.478 0.005 . 1 . . . . . 70 ASN H . 51184 1 833 . 1 . 1 70 70 ASN HA H 1 4.044 0.005 . 1 . . . . . 70 ASN HA . 51184 1 834 . 1 . 1 70 70 ASN HB2 H 1 2.779 0.005 . 2 . . . . . 70 ASN HB2 . 51184 1 835 . 1 . 1 70 70 ASN HB3 H 1 2.422 0.005 . 2 . . . . . 70 ASN HB3 . 51184 1 836 . 1 . 1 70 70 ASN HD21 H 1 7.142 0.005 . 2 . . . . . 70 ASN HD21 . 51184 1 837 . 1 . 1 70 70 ASN HD22 H 1 6.940 0.005 . 2 . . . . . 70 ASN HD22 . 51184 1 838 . 1 . 1 70 70 ASN C C 13 177.164 0.050 . 1 . . . . . 70 ASN C . 51184 1 839 . 1 . 1 70 70 ASN CA C 13 54.708 0.050 . 1 . . . . . 70 ASN CA . 51184 1 840 . 1 . 1 70 70 ASN CB C 13 39.866 0.050 . 1 . . . . . 70 ASN CB . 51184 1 841 . 1 . 1 70 70 ASN N N 15 122.740 0.050 . 1 . . . . . 70 ASN N . 51184 1 842 . 1 . 1 70 70 ASN ND2 N 15 112.872 0.050 . 1 . . . . . 70 ASN ND2 . 51184 1 843 . 1 . 1 71 71 LYS H H 1 8.763 0.005 . 1 . . . . . 71 LYS H . 51184 1 844 . 1 . 1 71 71 LYS HA H 1 4.434 0.005 . 1 . . . . . 71 LYS HA . 51184 1 845 . 1 . 1 71 71 LYS HB2 H 1 1.841 0.005 . 2 . . . . . 71 LYS HB2 . 51184 1 846 . 1 . 1 71 71 LYS HB3 H 1 1.267 0.005 . 2 . . . . . 71 LYS HB3 . 51184 1 847 . 1 . 1 71 71 LYS HG2 H 1 0.660 0.005 . 2 . . . . . 71 LYS HG2 . 51184 1 848 . 1 . 1 71 71 LYS HG3 H 1 0.550 0.005 . 2 . . . . . 71 LYS HG3 . 51184 1 849 . 1 . 1 71 71 LYS HD2 H 1 1.200 0.005 . 2 . . . . . 71 LYS HD2 . 51184 1 850 . 1 . 1 71 71 LYS HD3 H 1 1.080 0.005 . 2 . . . . . 71 LYS HD3 . 51184 1 851 . 1 . 1 71 71 LYS HE2 H 1 2.860 0.005 . 1 . . . . . 71 LYS HE2 . 51184 1 852 . 1 . 1 71 71 LYS HE3 H 1 2.860 0.005 . 1 . . . . . 71 LYS HE3 . 51184 1 853 . 1 . 1 71 71 LYS C C 13 177.138 0.050 . 1 . . . . . 71 LYS C . 51184 1 854 . 1 . 1 71 71 LYS CA C 13 58.960 0.050 . 1 . . . . . 71 LYS CA . 51184 1 855 . 1 . 1 71 71 LYS CB C 13 33.041 0.050 . 1 . . . . . 71 LYS CB . 51184 1 856 . 1 . 1 71 71 LYS CG C 13 27.040 0.050 . 1 . . . . . 71 LYS CG . 51184 1 857 . 1 . 1 71 71 LYS CD C 13 29.610 0.050 . 1 . . . . . 71 LYS CD . 51184 1 858 . 1 . 1 71 71 LYS CE C 13 41.900 0.050 . 1 . . . . . 71 LYS CE . 51184 1 859 . 1 . 1 71 71 LYS N N 15 128.401 0.050 . 1 . . . . . 71 LYS N . 51184 1 860 . 1 . 1 72 72 ARG H H 1 8.737 0.005 . 1 . . . . . 72 ARG H . 51184 1 861 . 1 . 1 72 72 ARG HA H 1 4.000 0.005 . 1 . . . . . 72 ARG HA . 51184 1 862 . 1 . 1 72 72 ARG HB2 H 1 1.284 0.005 . 1 . . . . . 72 ARG HB2 . 51184 1 863 . 1 . 1 72 72 ARG HB3 H 1 1.284 0.005 . 1 . . . . . 72 ARG HB3 . 51184 1 864 . 1 . 1 72 72 ARG HG2 H 1 1.467 0.005 . 1 . . . . . 72 ARG HG2 . 51184 1 865 . 1 . 1 72 72 ARG HG3 H 1 1.467 0.005 . 1 . . . . . 72 ARG HG3 . 51184 1 866 . 1 . 1 72 72 ARG HD2 H 1 2.965 0.005 . 1 . . . . . 72 ARG HD2 . 51184 1 867 . 1 . 1 72 72 ARG HD3 H 1 2.965 0.005 . 1 . . . . . 72 ARG HD3 . 51184 1 868 . 1 . 1 72 72 ARG HE H 1 7.183 0.005 . 1 . . . . . 72 ARG HE . 51184 1 869 . 1 . 1 72 72 ARG C C 13 176.478 0.050 . 1 . . . . . 72 ARG C . 51184 1 870 . 1 . 1 72 72 ARG CA C 13 57.251 0.050 . 1 . . . . . 72 ARG CA . 51184 1 871 . 1 . 1 72 72 ARG CB C 13 29.799 0.050 . 1 . . . . . 72 ARG CB . 51184 1 872 . 1 . 1 72 72 ARG CG C 13 27.734 0.050 . 1 . . . . . 72 ARG CG . 51184 1 873 . 1 . 1 72 72 ARG CD C 13 43.351 0.050 . 1 . . . . . 72 ARG CD . 51184 1 874 . 1 . 1 72 72 ARG N N 15 116.303 0.050 . 1 . . . . . 72 ARG N . 51184 1 875 . 1 . 1 72 72 ARG NE N 15 84.680 0.050 . 1 . . . . . 72 ARG NE . 51184 1 876 . 1 . 1 73 73 TYR H H 1 8.294 0.005 . 1 . . . . . 73 TYR H . 51184 1 877 . 1 . 1 73 73 TYR HA H 1 4.639 0.005 . 1 . . . . . 73 TYR HA . 51184 1 878 . 1 . 1 73 73 TYR HB2 H 1 3.103 0.005 . 2 . . . . . 73 TYR HB2 . 51184 1 879 . 1 . 1 73 73 TYR HB3 H 1 2.873 0.005 . 2 . . . . . 73 TYR HB3 . 51184 1 880 . 1 . 1 73 73 TYR C C 13 175.310 0.050 . 1 . . . . . 73 TYR C . 51184 1 881 . 1 . 1 73 73 TYR CA C 13 57.682 0.050 . 1 . . . . . 73 TYR CA . 51184 1 882 . 1 . 1 73 73 TYR CB C 13 41.182 0.050 . 1 . . . . . 73 TYR CB . 51184 1 883 . 1 . 1 73 73 TYR N N 15 116.776 0.050 . 1 . . . . . 73 TYR N . 51184 1 884 . 1 . 1 74 74 VAL H H 1 7.931 0.005 . 1 . . . . . 74 VAL H . 51184 1 885 . 1 . 1 74 74 VAL HA H 1 5.109 0.005 . 1 . . . . . 74 VAL HA . 51184 1 886 . 1 . 1 74 74 VAL HB H 1 1.816 0.005 . 1 . . . . . 74 VAL HB . 51184 1 887 . 1 . 1 74 74 VAL HG11 H 1 1.026 0.005 . 2 . . . . . 74 VAL MG1 . 51184 1 888 . 1 . 1 74 74 VAL HG12 H 1 1.026 0.005 . 2 . . . . . 74 VAL MG1 . 51184 1 889 . 1 . 1 74 74 VAL HG13 H 1 1.026 0.005 . 2 . . . . . 74 VAL MG1 . 51184 1 890 . 1 . 1 74 74 VAL HG21 H 1 0.913 0.005 . 2 . . . . . 74 VAL MG2 . 51184 1 891 . 1 . 1 74 74 VAL HG22 H 1 0.913 0.005 . 2 . . . . . 74 VAL MG2 . 51184 1 892 . 1 . 1 74 74 VAL HG23 H 1 0.913 0.005 . 2 . . . . . 74 VAL MG2 . 51184 1 893 . 1 . 1 74 74 VAL C C 13 173.550 0.050 . 1 . . . . . 74 VAL C . 51184 1 894 . 1 . 1 74 74 VAL CA C 13 59.006 0.050 . 1 . . . . . 74 VAL CA . 51184 1 895 . 1 . 1 74 74 VAL CB C 13 36.751 0.050 . 1 . . . . . 74 VAL CB . 51184 1 896 . 1 . 1 74 74 VAL CG1 C 13 22.978 0.050 . 2 . . . . . 74 VAL CG1 . 51184 1 897 . 1 . 1 74 74 VAL CG2 C 13 17.999 0.050 . 2 . . . . . 74 VAL CG2 . 51184 1 898 . 1 . 1 74 74 VAL N N 15 113.126 0.050 . 1 . . . . . 74 VAL N . 51184 1 899 . 1 . 1 75 75 GLN H H 1 8.367 0.005 . 1 . . . . . 75 GLN H . 51184 1 900 . 1 . 1 75 75 GLN HA H 1 4.968 0.005 . 1 . . . . . 75 GLN HA . 51184 1 901 . 1 . 1 75 75 GLN HB2 H 1 2.298 0.005 . 2 . . . . . 75 GLN HB2 . 51184 1 902 . 1 . 1 75 75 GLN HB3 H 1 1.881 0.005 . 2 . . . . . 75 GLN HB3 . 51184 1 903 . 1 . 1 75 75 GLN HG2 H 1 1.901 0.005 . 1 . . . . . 75 GLN HG2 . 51184 1 904 . 1 . 1 75 75 GLN HG3 H 1 1.901 0.005 . 1 . . . . . 75 GLN HG3 . 51184 1 905 . 1 . 1 75 75 GLN HE21 H 1 7.606 0.005 . 2 . . . . . 75 GLN HE21 . 51184 1 906 . 1 . 1 75 75 GLN HE22 H 1 6.880 0.005 . 2 . . . . . 75 GLN HE22 . 51184 1 907 . 1 . 1 75 75 GLN C C 13 174.803 0.050 . 1 . . . . . 75 GLN C . 51184 1 908 . 1 . 1 75 75 GLN CA C 13 54.024 0.050 . 1 . . . . . 75 GLN CA . 51184 1 909 . 1 . 1 75 75 GLN CB C 13 34.257 0.050 . 1 . . . . . 75 GLN CB . 51184 1 910 . 1 . 1 75 75 GLN CG C 13 34.342 0.050 . 1 . . . . . 75 GLN CG . 51184 1 911 . 1 . 1 75 75 GLN N N 15 118.718 0.050 . 1 . . . . . 75 GLN N . 51184 1 912 . 1 . 1 75 75 GLN NE2 N 15 111.874 0.050 . 1 . . . . . 75 GLN NE2 . 51184 1 913 . 1 . 1 76 76 LYS H H 1 8.330 0.005 . 1 . . . . . 76 LYS H . 51184 1 914 . 1 . 1 76 76 LYS HA H 1 4.238 0.005 . 1 . . . . . 76 LYS HA . 51184 1 915 . 1 . 1 76 76 LYS HB2 H 1 1.776 0.005 . 2 . . . . . 76 LYS HB2 . 51184 1 916 . 1 . 1 76 76 LYS HB3 H 1 1.347 0.005 . 2 . . . . . 76 LYS HB3 . 51184 1 917 . 1 . 1 76 76 LYS HG2 H 1 0.924 0.005 . 2 . . . . . 76 LYS HG2 . 51184 1 918 . 1 . 1 76 76 LYS HG3 H 1 0.661 0.005 . 2 . . . . . 76 LYS HG3 . 51184 1 919 . 1 . 1 76 76 LYS HD2 H 1 1.531 0.005 . 1 . . . . . 76 LYS HD2 . 51184 1 920 . 1 . 1 76 76 LYS HD3 H 1 1.531 0.005 . 1 . . . . . 76 LYS HD3 . 51184 1 921 . 1 . 1 76 76 LYS HE2 H 1 2.879 0.005 . 1 . . . . . 76 LYS HE2 . 51184 1 922 . 1 . 1 76 76 LYS HE3 H 1 2.879 0.005 . 1 . . . . . 76 LYS HE3 . 51184 1 923 . 1 . 1 76 76 LYS C C 13 175.891 0.050 . 1 . . . . . 76 LYS C . 51184 1 924 . 1 . 1 76 76 LYS CA C 13 57.429 0.050 . 1 . . . . . 76 LYS CA . 51184 1 925 . 1 . 1 76 76 LYS CB C 13 33.614 0.050 . 1 . . . . . 76 LYS CB . 51184 1 926 . 1 . 1 76 76 LYS CG C 13 25.031 0.050 . 1 . . . . . 76 LYS CG . 51184 1 927 . 1 . 1 76 76 LYS CD C 13 29.405 0.050 . 1 . . . . . 76 LYS CD . 51184 1 928 . 1 . 1 76 76 LYS CE C 13 42.351 0.050 . 1 . . . . . 76 LYS CE . 51184 1 929 . 1 . 1 76 76 LYS N N 15 125.707 0.050 . 1 . . . . . 76 LYS N . 51184 1 930 . 1 . 1 77 77 VAL H H 1 8.253 0.005 . 1 . . . . . 77 VAL H . 51184 1 931 . 1 . 1 77 77 VAL HA H 1 4.043 0.005 . 1 . . . . . 77 VAL HA . 51184 1 932 . 1 . 1 77 77 VAL HB H 1 1.714 0.005 . 1 . . . . . 77 VAL HB . 51184 1 933 . 1 . 1 77 77 VAL HG11 H 1 0.747 0.005 . 2 . . . . . 77 VAL MG1 . 51184 1 934 . 1 . 1 77 77 VAL HG12 H 1 0.747 0.005 . 2 . . . . . 77 VAL MG1 . 51184 1 935 . 1 . 1 77 77 VAL HG13 H 1 0.747 0.005 . 2 . . . . . 77 VAL MG1 . 51184 1 936 . 1 . 1 77 77 VAL HG21 H 1 0.648 0.005 . 2 . . . . . 77 VAL MG2 . 51184 1 937 . 1 . 1 77 77 VAL HG22 H 1 0.648 0.005 . 2 . . . . . 77 VAL MG2 . 51184 1 938 . 1 . 1 77 77 VAL HG23 H 1 0.648 0.005 . 2 . . . . . 77 VAL MG2 . 51184 1 939 . 1 . 1 77 77 VAL C C 13 175.461 0.050 . 1 . . . . . 77 VAL C . 51184 1 940 . 1 . 1 77 77 VAL CA C 13 62.015 0.050 . 1 . . . . . 77 VAL CA . 51184 1 941 . 1 . 1 77 77 VAL CB C 13 33.077 0.050 . 1 . . . . . 77 VAL CB . 51184 1 942 . 1 . 1 77 77 VAL CG1 C 13 21.361 0.050 . 2 . . . . . 77 VAL CG1 . 51184 1 943 . 1 . 1 77 77 VAL CG2 C 13 20.927 0.050 . 2 . . . . . 77 VAL CG2 . 51184 1 944 . 1 . 1 77 77 VAL N N 15 126.407 0.050 . 1 . . . . . 77 VAL N . 51184 1 945 . 1 . 1 78 78 ASN H H 1 8.695 0.005 . 1 . . . . . 78 ASN H . 51184 1 946 . 1 . 1 78 78 ASN HA H 1 4.545 0.005 . 1 . . . . . 78 ASN HA . 51184 1 947 . 1 . 1 78 78 ASN HB2 H 1 2.609 0.005 . 1 . . . . . 78 ASN HB2 . 51184 1 948 . 1 . 1 78 78 ASN HB3 H 1 2.609 0.005 . 1 . . . . . 78 ASN HB3 . 51184 1 949 . 1 . 1 78 78 ASN HD21 H 1 7.689 0.005 . 2 . . . . . 78 ASN HD21 . 51184 1 950 . 1 . 1 78 78 ASN HD22 H 1 7.006 0.005 . 2 . . . . . 78 ASN HD22 . 51184 1 951 . 1 . 1 78 78 ASN C C 13 175.649 0.050 . 1 . . . . . 78 ASN C . 51184 1 952 . 1 . 1 78 78 ASN CA C 13 53.380 0.050 . 1 . . . . . 78 ASN CA . 51184 1 953 . 1 . 1 78 78 ASN CB C 13 39.392 0.050 . 1 . . . . . 78 ASN CB . 51184 1 954 . 1 . 1 78 78 ASN N N 15 124.350 0.050 . 1 . . . . . 78 ASN N . 51184 1 955 . 1 . 1 78 78 ASN ND2 N 15 113.206 0.050 . 1 . . . . . 78 ASN ND2 . 51184 1 956 . 1 . 1 79 79 GLY H H 1 8.544 0.005 . 1 . . . . . 79 GLY H . 51184 1 957 . 1 . 1 79 79 GLY HA2 H 1 3.887 0.005 . 2 . . . . . 79 GLY HA2 . 51184 1 958 . 1 . 1 79 79 GLY HA3 H 1 3.835 0.005 . 2 . . . . . 79 GLY HA3 . 51184 1 959 . 1 . 1 79 79 GLY C C 13 174.031 0.050 . 1 . . . . . 79 GLY C . 51184 1 960 . 1 . 1 79 79 GLY CA C 13 45.423 0.050 . 1 . . . . . 79 GLY CA . 51184 1 961 . 1 . 1 79 79 GLY N N 15 110.259 0.050 . 1 . . . . . 79 GLY N . 51184 1 962 . 1 . 1 80 80 SER H H 1 8.378 0.005 . 1 . . . . . 80 SER H . 51184 1 963 . 1 . 1 80 80 SER HA H 1 4.270 0.005 . 1 . . . . . 80 SER HA . 51184 1 964 . 1 . 1 80 80 SER HB2 H 1 3.780 0.005 . 2 . . . . . 80 SER HB2 . 51184 1 965 . 1 . 1 80 80 SER HB3 H 1 3.680 0.005 . 2 . . . . . 80 SER HB3 . 51184 1 966 . 1 . 1 80 80 SER C C 13 174.459 0.050 . 1 . . . . . 80 SER C . 51184 1 967 . 1 . 1 80 80 SER CA C 13 58.570 0.050 . 1 . . . . . 80 SER CA . 51184 1 968 . 1 . 1 80 80 SER CB C 13 63.870 0.050 . 1 . . . . . 80 SER CB . 51184 1 969 . 1 . 1 80 80 SER N N 15 115.826 0.050 . 1 . . . . . 80 SER N . 51184 1 stop_ save_