data_25133 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25133 _Entry.Title ; HOXD13 Solution NMR Chemical Shift Coordinates ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-06 _Entry.Accession_date 2014-08-06 _Entry.Last_release_date 2014-08-07 _Entry.Original_release_date 2014-08-07 _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 'Solution NMR Chemical Shift Coordinates of HOXD13 Bound to DNA' _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 Matthew Turner . L. . . 25133 2 James Ames . B. . . 25133 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25133 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 227 25133 '15N chemical shifts' 64 25133 '1H chemical shifts' 317 25133 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-05-12 . original BMRB . 25133 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25133 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 25491407 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Chemical shift assignments of mouse HOXD13 DNA binding domain bound to duplex DNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 9 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 267 _Citation.Page_last 270 _Citation.Year 2015 _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 Matthew Turner M. . . . 25133 1 2 Yonghong Zhang Y. . . . 25133 1 3 Hanqian Carlson H. L. . . 25133 1 4 'H Scott' Stadler H. S. . . 25133 1 5 James Ames J. B. . . 25133 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25133 _Assembly.ID 1 _Assembly.Name HOXD13 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HOXD13 1 $HOXD13 A . yes native no no . . . 25133 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HOXD13 _Entity.Sf_category entity _Entity.Sf_framecode HOXD13 _Entity.Entry_ID 25133 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HOXD13 _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 ; GSHMLEGRKKRVPYTKLQLK ELENEYAINKFINKDKRRRI SAATNLSERQVTIWFQNRRV KDKKIVSKLKDTVS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment HOXD13_DNA_Binding_Domain _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 25133 1 2 2 SER . 25133 1 3 3 HIS . 25133 1 4 4 MET . 25133 1 5 5 LEU . 25133 1 6 6 GLU . 25133 1 7 7 GLY . 25133 1 8 8 ARG . 25133 1 9 9 LYS . 25133 1 10 10 LYS . 25133 1 11 11 ARG . 25133 1 12 12 VAL . 25133 1 13 13 PRO . 25133 1 14 14 TYR . 25133 1 15 15 THR . 25133 1 16 16 LYS . 25133 1 17 17 LEU . 25133 1 18 18 GLN . 25133 1 19 19 LEU . 25133 1 20 20 LYS . 25133 1 21 21 GLU . 25133 1 22 22 LEU . 25133 1 23 23 GLU . 25133 1 24 24 ASN . 25133 1 25 25 GLU . 25133 1 26 26 TYR . 25133 1 27 27 ALA . 25133 1 28 28 ILE . 25133 1 29 29 ASN . 25133 1 30 30 LYS . 25133 1 31 31 PHE . 25133 1 32 32 ILE . 25133 1 33 33 ASN . 25133 1 34 34 LYS . 25133 1 35 35 ASP . 25133 1 36 36 LYS . 25133 1 37 37 ARG . 25133 1 38 38 ARG . 25133 1 39 39 ARG . 25133 1 40 40 ILE . 25133 1 41 41 SER . 25133 1 42 42 ALA . 25133 1 43 43 ALA . 25133 1 44 44 THR . 25133 1 45 45 ASN . 25133 1 46 46 LEU . 25133 1 47 47 SER . 25133 1 48 48 GLU . 25133 1 49 49 ARG . 25133 1 50 50 GLN . 25133 1 51 51 VAL . 25133 1 52 52 THR . 25133 1 53 53 ILE . 25133 1 54 54 TRP . 25133 1 55 55 PHE . 25133 1 56 56 GLN . 25133 1 57 57 ASN . 25133 1 58 58 ARG . 25133 1 59 59 ARG . 25133 1 60 60 VAL . 25133 1 61 61 LYS . 25133 1 62 62 ASP . 25133 1 63 63 LYS . 25133 1 64 64 LYS . 25133 1 65 65 ILE . 25133 1 66 66 VAL . 25133 1 67 67 SER . 25133 1 68 68 LYS . 25133 1 69 69 LEU . 25133 1 70 70 LYS . 25133 1 71 71 ASP . 25133 1 72 72 THR . 25133 1 73 73 VAL . 25133 1 74 74 SER . 25133 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25133 1 . SER 2 2 25133 1 . HIS 3 3 25133 1 . MET 4 4 25133 1 . LEU 5 5 25133 1 . GLU 6 6 25133 1 . GLY 7 7 25133 1 . ARG 8 8 25133 1 . LYS 9 9 25133 1 . LYS 10 10 25133 1 . ARG 11 11 25133 1 . VAL 12 12 25133 1 . PRO 13 13 25133 1 . TYR 14 14 25133 1 . THR 15 15 25133 1 . LYS 16 16 25133 1 . LEU 17 17 25133 1 . GLN 18 18 25133 1 . LEU 19 19 25133 1 . LYS 20 20 25133 1 . GLU 21 21 25133 1 . LEU 22 22 25133 1 . GLU 23 23 25133 1 . ASN 24 24 25133 1 . GLU 25 25 25133 1 . TYR 26 26 25133 1 . ALA 27 27 25133 1 . ILE 28 28 25133 1 . ASN 29 29 25133 1 . LYS 30 30 25133 1 . PHE 31 31 25133 1 . ILE 32 32 25133 1 . ASN 33 33 25133 1 . LYS 34 34 25133 1 . ASP 35 35 25133 1 . LYS 36 36 25133 1 . ARG 37 37 25133 1 . ARG 38 38 25133 1 . ARG 39 39 25133 1 . ILE 40 40 25133 1 . SER 41 41 25133 1 . ALA 42 42 25133 1 . ALA 43 43 25133 1 . THR 44 44 25133 1 . ASN 45 45 25133 1 . LEU 46 46 25133 1 . SER 47 47 25133 1 . GLU 48 48 25133 1 . ARG 49 49 25133 1 . GLN 50 50 25133 1 . VAL 51 51 25133 1 . THR 52 52 25133 1 . ILE 53 53 25133 1 . TRP 54 54 25133 1 . PHE 55 55 25133 1 . GLN 56 56 25133 1 . ASN 57 57 25133 1 . ARG 58 58 25133 1 . ARG 59 59 25133 1 . VAL 60 60 25133 1 . LYS 61 61 25133 1 . ASP 62 62 25133 1 . LYS 63 63 25133 1 . LYS 64 64 25133 1 . ILE 65 65 25133 1 . VAL 66 66 25133 1 . SER 67 67 25133 1 . LYS 68 68 25133 1 . LEU 69 69 25133 1 . LYS 70 70 25133 1 . ASP 71 71 25133 1 . THR 72 72 25133 1 . VAL 73 73 25133 1 . SER 74 74 25133 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25133 _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 $HOXD13 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 25133 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25133 _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 $HOXD13 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 25133 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25133 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details HOXD13_in_PBS _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HOXD13 [U-15N] . . 1 $HOXD13 . . 0.4 . . mM . . . . 25133 1 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 25133 1 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 25133 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25133 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details HOXD13_in_PBS _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HOXD13 [U-13C;U-15N] . . 1 $HOXD13 . . 0.4 . . mM . . . . 25133 2 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 25133 2 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 25133 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25133 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'pH 7 Sodium Phosphate Buffer with d10-EDTA (1mM) at 307K' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 25133 1 pressure 1 . atm 25133 1 temperature 307 . K 25133 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25133 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25133 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 25133 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25133 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25133 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 25133 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25133 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25133 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25133 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25133 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 25133 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 25133 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 25133 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 25133 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 25133 1 6 '3D HCCH TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 25133 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25133 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 25133 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.000000000 . . . . . 25133 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 25133 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25133 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25133 1 2 '3D CBCA(CO)NH' . . . 25133 1 3 '3D HNCA' . . . 25133 1 4 '3D HNCO' . . . 25133 1 5 '3D HBHA(CO)NH' . . . 25133 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 4 4 MET HA H 1 4.368 0.05 . 1 . . . . . 4 Met Ha . 25133 1 2 . 1 . 1 4 4 MET HE1 H 1 2.05 0.05 . 1 . . . . . 4 Met He . 25133 1 3 . 1 . 1 4 4 MET HE2 H 1 2.05 0.05 . 1 . . . . . 4 Met He . 25133 1 4 . 1 . 1 4 4 MET HE3 H 1 2.05 0.05 . 1 . . . . . 4 Met He . 25133 1 5 . 1 . 1 4 4 MET C C 13 176.015 0.1 . 1 . . . . . 4 Met C . 25133 1 6 . 1 . 1 4 4 MET CA C 13 55.641 0.1 . 1 . . . . . 4 Met Ca . 25133 1 7 . 1 . 1 4 4 MET CB C 13 32.657 0.1 . 1 . . . . . 4 Met Cb . 25133 1 8 . 1 . 1 4 4 MET CE C 13 17.02 0.1 . 1 . . . . . 4 Met Ce . 25133 1 9 . 1 . 1 5 5 LEU H H 1 8.232 0.05 . 1 . . . . . 5 Leu HN . 25133 1 10 . 1 . 1 5 5 LEU HA H 1 4.278 0.05 . 1 . . . . . 5 Leu Ha . 25133 1 11 . 1 . 1 5 5 LEU HB2 H 1 1.586 0.05 . 2 . . . . . 5 Leu Hb . 25133 1 12 . 1 . 1 5 5 LEU HB3 H 1 1.586 0.05 . 2 . . . . . 5 Leu Hb . 25133 1 13 . 1 . 1 5 5 LEU HD11 H 1 0.90 0.05 . 1 . . . . . 5 Leu Hd . 25133 1 14 . 1 . 1 5 5 LEU HD12 H 1 0.90 0.05 . 1 . . . . . 5 Leu Hd . 25133 1 15 . 1 . 1 5 5 LEU HD13 H 1 0.90 0.05 . 1 . . . . . 5 Leu Hd . 25133 1 16 . 1 . 1 5 5 LEU HD21 H 1 0.90 0.05 . 1 . . . . . 5 Leu Hd . 25133 1 17 . 1 . 1 5 5 LEU HD22 H 1 0.90 0.05 . 1 . . . . . 5 Leu Hd . 25133 1 18 . 1 . 1 5 5 LEU HD23 H 1 0.90 0.05 . 1 . . . . . 5 Leu Hd . 25133 1 19 . 1 . 1 5 5 LEU C C 13 177.357 0.1 . 1 . . . . . 5 Leu C . 25133 1 20 . 1 . 1 5 5 LEU CA C 13 55.43 0.1 . 1 . . . . . 5 Leu Ca . 25133 1 21 . 1 . 1 5 5 LEU CB C 13 42.21 0.1 . 1 . . . . . 5 Leu Cb . 25133 1 22 . 1 . 1 5 5 LEU CD1 C 13 25.04 0.1 . 1 . . . . . 5 Leu Cd . 25133 1 23 . 1 . 1 5 5 LEU CD2 C 13 25.04 0.1 . 1 . . . . . 5 Leu Cd . 25133 1 24 . 1 . 1 5 5 LEU N N 15 123.535 0.2 . 1 . . . . . 5 Leu N . 25133 1 25 . 1 . 1 6 6 GLU H H 1 8.269 0.05 . 1 . . . . . 6 Glu HN . 25133 1 26 . 1 . 1 6 6 GLU HA H 1 4.213 0.05 . 1 . . . . . 6 Glu Ha . 25133 1 27 . 1 . 1 6 6 GLU HB2 H 1 1.949 0.05 . 2 . . . . . 6 Glu Hb . 25133 1 28 . 1 . 1 6 6 GLU HB3 H 1 1.949 0.05 . 2 . . . . . 6 Glu Hb . 25133 1 29 . 1 . 1 6 6 GLU C C 13 176.826 0.1 . 1 . . . . . 6 Glu C . 25133 1 30 . 1 . 1 6 6 GLU CA C 13 56.844 0.1 . 1 . . . . . 6 Glu Ca . 25133 1 31 . 1 . 1 6 6 GLU CB C 13 30.319 0.1 . 1 . . . . . 6 Glu Cb . 25133 1 32 . 1 . 1 6 6 GLU N N 15 121.499 0.2 . 1 . . . . . 6 Glu N . 25133 1 33 . 1 . 1 7 7 GLY H H 1 8.266 0.05 . 1 . . . . . 7 Gly HN . 25133 1 34 . 1 . 1 7 7 GLY HA2 H 1 3.896 0.05 . 2 . . . . . 7 Gly Ha . 25133 1 35 . 1 . 1 7 7 GLY HA3 H 1 3.896 0.05 . 2 . . . . . 7 Gly Ha . 25133 1 36 . 1 . 1 7 7 GLY CA C 13 45.32 0.1 . 1 . . . . . 7 Gly Ca . 25133 1 37 . 1 . 1 7 7 GLY N N 15 109.959 0.2 . 1 . . . . . 7 Gly N . 25133 1 38 . 1 . 1 8 8 ARG H H 1 8.031 0.05 . 1 . . . . . 8 Arg HN . 25133 1 39 . 1 . 1 8 8 ARG HA H 1 4.274 0.05 . 1 . . . . . 8 Arg Ha . 25133 1 40 . 1 . 1 8 8 ARG HB2 H 1 1.749 0.05 . 2 . . . . . 8 Arg Hb . 25133 1 41 . 1 . 1 8 8 ARG HB3 H 1 1.749 0.05 . 2 . . . . . 8 Arg Hb . 25133 1 42 . 1 . 1 8 8 ARG C C 13 176.094 0.1 . 1 . . . . . 8 Arg C . 25133 1 43 . 1 . 1 8 8 ARG CA C 13 55.983 0.1 . 1 . . . . . 8 Arg Ca . 25133 1 44 . 1 . 1 8 8 ARG CB C 13 31.24 0.1 . 1 . . . . . 8 Arg Cb . 25133 1 45 . 1 . 1 8 8 ARG N N 15 120.807 0.2 . 1 . . . . . 8 Arg N . 25133 1 46 . 1 . 1 9 9 LYS H H 1 8.672 0.05 . 1 . . . . . 9 Lys HN . 25133 1 47 . 1 . 1 9 9 LYS HA H 1 4.197 0.05 . 1 . . . . . 9 Lys Ha . 25133 1 48 . 1 . 1 9 9 LYS HB2 H 1 1.767 0.05 . 2 . . . . . 9 Lys Hb . 25133 1 49 . 1 . 1 9 9 LYS HB3 H 1 1.767 0.05 . 2 . . . . . 9 Lys Hb . 25133 1 50 . 1 . 1 9 9 LYS C C 13 176.039 0.1 . 1 . . . . . 9 Lys C . 25133 1 51 . 1 . 1 9 9 LYS CA C 13 56.191 0.1 . 1 . . . . . 9 Lys Ca . 25133 1 52 . 1 . 1 9 9 LYS CB C 13 33.247 0.1 . 1 . . . . . 9 Lys Cb . 25133 1 53 . 1 . 1 9 9 LYS N N 15 125.916 0.2 . 1 . . . . . 9 Lys N . 25133 1 54 . 1 . 1 10 10 LYS H H 1 8.273 0.05 . 1 . . . . . 10 Lys HN . 25133 1 55 . 1 . 1 10 10 LYS C C 13 176.706 0.1 . 1 . . . . . 10 Lys C . 25133 1 56 . 1 . 1 10 10 LYS CA C 13 56.27 0.1 . 1 . . . . . 10 Lys Ca . 25133 1 57 . 1 . 1 10 10 LYS CB C 13 33.33 0.1 . 1 . . . . . 10 Lys Cb . 25133 1 58 . 1 . 1 10 10 LYS N N 15 125.117 0.2 . 1 . . . . . 10 Lys N . 25133 1 59 . 1 . 1 11 11 ARG H H 1 8.235 0.05 . 1 . . . . . 11 Arg HN . 25133 1 60 . 1 . 1 11 11 ARG HA H 1 4.326 0.05 . 1 . . . . . 11 Arg Ha . 25133 1 61 . 1 . 1 11 11 ARG HB2 H 1 1.785 0.05 . 2 . . . . . 11 Arg Hb . 25133 1 62 . 1 . 1 11 11 ARG HB3 H 1 1.785 0.05 . 2 . . . . . 11 Arg Hb . 25133 1 63 . 1 . 1 11 11 ARG C C 13 175.715 0.1 . 1 . . . . . 11 Arg C . 25133 1 64 . 1 . 1 11 11 ARG CA C 13 56.116 0.1 . 1 . . . . . 11 Arg Ca . 25133 1 65 . 1 . 1 11 11 ARG CB C 13 30.847 0.1 . 1 . . . . . 11 Arg Cb . 25133 1 66 . 1 . 1 11 11 ARG N N 15 121.718 0.2 . 1 . . . . . 11 Arg N . 25133 1 67 . 1 . 1 12 12 VAL H H 1 7.676 0.05 . 1 . . . . . 12 Val HN . 25133 1 68 . 1 . 1 12 12 VAL HA H 1 4.60 0.05 . 1 . . . . . 12 Val Ha . 25133 1 69 . 1 . 1 12 12 VAL HB H 1 2.20 0.05 . 1 . . . . . 12 Val Hb . 25133 1 70 . 1 . 1 12 12 VAL HG11 H 1 1.05 0.05 . 2 . . . . . 12 Val Hg . 25133 1 71 . 1 . 1 12 12 VAL HG12 H 1 1.05 0.05 . 2 . . . . . 12 Val Hg . 25133 1 72 . 1 . 1 12 12 VAL HG13 H 1 1.05 0.05 . 2 . . . . . 12 Val Hg . 25133 1 73 . 1 . 1 12 12 VAL HG21 H 1 1.10 0.05 . 2 . . . . . 12 Val Hg . 25133 1 74 . 1 . 1 12 12 VAL HG22 H 1 1.10 0.05 . 2 . . . . . 12 Val Hg . 25133 1 75 . 1 . 1 12 12 VAL HG23 H 1 1.10 0.05 . 2 . . . . . 12 Val Hg . 25133 1 76 . 1 . 1 12 12 VAL CA C 13 58.50 0.1 . 1 . . . . . 12 Val Ca . 25133 1 77 . 1 . 1 12 12 VAL CB C 13 34.0 0.1 . 1 . . . . . 12 Val Cb . 25133 1 78 . 1 . 1 12 12 VAL CG1 C 13 20.83 0.1 . 2 . . . . . 12 Val Cg . 25133 1 79 . 1 . 1 12 12 VAL CG2 C 13 20.83 0.1 . 2 . . . . . 12 Val Cg . 25133 1 80 . 1 . 1 12 12 VAL N N 15 120.754 0.2 . 1 . . . . . 12 Val N . 25133 1 81 . 1 . 1 13 13 PRO HA H 1 4.261 0.05 . 1 . . . . . 13 Pro Ha . 25133 1 82 . 1 . 1 13 13 PRO C C 13 177.163 0.1 . 1 . . . . . 13 Pro C . 25133 1 83 . 1 . 1 13 13 PRO CA C 13 61.875 0.1 . 1 . . . . . 13 Pro Ca . 25133 1 84 . 1 . 1 13 13 PRO CB C 13 32.213 0.1 . 1 . . . . . 13 Pro Cb . 25133 1 85 . 1 . 1 14 14 TYR H H 1 9.763 0.05 . 1 . . . . . 14 Tyr HN . 25133 1 86 . 1 . 1 14 14 TYR C C 13 177.238 0.1 . 1 . . . . . 14 Tyr C . 25133 1 87 . 1 . 1 14 14 TYR CA C 13 53.82 0.1 . 1 . . . . . 14 Tyr Ca . 25133 1 88 . 1 . 1 14 14 TYR CB C 13 35.027 0.1 . 1 . . . . . 14 Tyr Cb . 25133 1 89 . 1 . 1 14 14 TYR N N 15 126.862 0.2 . 1 . . . . . 14 Tyr N . 25133 1 90 . 1 . 1 15 15 THR H H 1 9.1 0.05 . 1 . . . . . 15 Thr HN . 25133 1 91 . 1 . 1 15 15 THR HA H 1 4.392 0.05 . 1 . . . . . 15 Thr Ha . 25133 1 92 . 1 . 1 15 15 THR HB H 1 4.8 0.05 . 1 . . . . . 15 Thr Hb . 25133 1 93 . 1 . 1 15 15 THR HG21 H 1 1.38 0.05 . 1 . . . . . 15 Thr Hg . 25133 1 94 . 1 . 1 15 15 THR HG22 H 1 1.38 0.05 . 1 . . . . . 15 Thr Hg . 25133 1 95 . 1 . 1 15 15 THR HG23 H 1 1.38 0.05 . 1 . . . . . 15 Thr Hg . 25133 1 96 . 1 . 1 15 15 THR C C 13 175.337 0.1 . 1 . . . . . 15 Thr C . 25133 1 97 . 1 . 1 15 15 THR CA C 13 60.746 0.1 . 1 . . . . . 15 Thr Ca . 25133 1 98 . 1 . 1 15 15 THR CB C 13 71.005 0.1 . 1 . . . . . 15 Thr Cb . 25133 1 99 . 1 . 1 15 15 THR CG2 C 13 21.75 0.1 . 1 . . . . . 15 Thr Cg . 25133 1 100 . 1 . 1 15 15 THR N N 15 112.641 0.2 . 1 . . . . . 15 Thr N . 25133 1 101 . 1 . 1 16 16 LYS H H 1 8.763 0.05 . 1 . . . . . 16 Lys HN . 25133 1 102 . 1 . 1 16 16 LYS HA H 1 3.947 0.05 . 1 . . . . . 16 Lys Ha . 25133 1 103 . 1 . 1 16 16 LYS HB2 H 1 1.845 0.05 . 2 . . . . . 16 Lys Hb . 25133 1 104 . 1 . 1 16 16 LYS HB3 H 1 1.845 0.05 . 2 . . . . . 16 Lys Hb . 25133 1 105 . 1 . 1 16 16 LYS C C 13 179.533 0.1 . 1 . . . . . 16 Lys C . 25133 1 106 . 1 . 1 16 16 LYS CA C 13 59.661 0.1 . 1 . . . . . 16 Lys Ca . 25133 1 107 . 1 . 1 16 16 LYS CB C 13 31.81 0.1 . 1 . . . . . 16 Lys Cb . 25133 1 108 . 1 . 1 16 16 LYS N N 15 119.458 0.2 . 1 . . . . . 16 Lys N . 25133 1 109 . 1 . 1 17 17 LEU H H 1 7.75 0.05 . 1 . . . . . 17 Leu HN . 25133 1 110 . 1 . 1 17 17 LEU HA H 1 4.08 0.05 . 1 . . . . . 17 Leu Ha . 25133 1 111 . 1 . 1 17 17 LEU HB2 H 1 1.562 0.05 . 2 . . . . . 17 Leu Hb . 25133 1 112 . 1 . 1 17 17 LEU HB3 H 1 1.562 0.05 . 2 . . . . . 17 Leu Hb . 25133 1 113 . 1 . 1 17 17 LEU HD11 H 1 0.9 0.05 . 1 . . . . . 17 Leu Hd . 25133 1 114 . 1 . 1 17 17 LEU HD12 H 1 0.9 0.05 . 1 . . . . . 17 Leu Hd . 25133 1 115 . 1 . 1 17 17 LEU HD13 H 1 0.9 0.05 . 1 . . . . . 17 Leu Hd . 25133 1 116 . 1 . 1 17 17 LEU HD21 H 1 0.9 0.05 . 1 . . . . . 17 Leu Hd . 25133 1 117 . 1 . 1 17 17 LEU HD22 H 1 0.9 0.05 . 1 . . . . . 17 Leu Hd . 25133 1 118 . 1 . 1 17 17 LEU HD23 H 1 0.9 0.05 . 1 . . . . . 17 Leu Hd . 25133 1 119 . 1 . 1 17 17 LEU C C 13 179.681 0.1 . 1 . . . . . 17 Leu C . 25133 1 120 . 1 . 1 17 17 LEU CA C 13 58.048 0.1 . 1 . . . . . 17 Leu Ca . 25133 1 121 . 1 . 1 17 17 LEU CB C 13 41.906 0.1 . 1 . . . . . 17 Leu Cb . 25133 1 122 . 1 . 1 17 17 LEU CD1 C 13 23.47 0.1 . 1 . . . . . 17 Leu Cd . 25133 1 123 . 1 . 1 17 17 LEU CD2 C 13 23.47 0.1 . 1 . . . . . 17 Leu Cd . 25133 1 124 . 1 . 1 17 17 LEU N N 15 118.868 0.2 . 1 . . . . . 17 Leu N . 25133 1 125 . 1 . 1 18 18 GLN H H 1 7.547 0.05 . 1 . . . . . 18 Gln HN . 25133 1 126 . 1 . 1 18 18 GLN HA H 1 3.713 0.05 . 1 . . . . . 18 Gln Ha . 25133 1 127 . 1 . 1 18 18 GLN C C 13 177.61 0.1 . 1 . . . . . 18 Gln C . 25133 1 128 . 1 . 1 18 18 GLN CA C 13 59.51 0.1 . 1 . . . . . 18 Gln Ca . 25133 1 129 . 1 . 1 18 18 GLN CB C 13 28.843 0.1 . 1 . . . . . 18 Gln Cb . 25133 1 130 . 1 . 1 18 18 GLN N N 15 119.976 0.2 . 1 . . . . . 18 Gln N . 25133 1 131 . 1 . 1 19 19 LEU H H 1 8.512 0.05 . 1 . . . . . 19 Leu HN . 25133 1 132 . 1 . 1 19 19 LEU HA H 1 3.85 0.05 . 1 . . . . . 19 Leu Ha . 25133 1 133 . 1 . 1 19 19 LEU HB2 H 1 1.83 0.05 . 1 . . . . . 19 Leu Hb . 25133 1 134 . 1 . 1 19 19 LEU HB3 H 1 1.83 0.05 . 1 . . . . . 19 Leu Hb . 25133 1 135 . 1 . 1 19 19 LEU HD11 H 1 0.97 0.05 . 1 . . . . . 19 Leu Hd . 25133 1 136 . 1 . 1 19 19 LEU HD12 H 1 0.97 0.05 . 1 . . . . . 19 Leu Hd . 25133 1 137 . 1 . 1 19 19 LEU HD13 H 1 0.97 0.05 . 1 . . . . . 19 Leu Hd . 25133 1 138 . 1 . 1 19 19 LEU HD21 H 1 0.97 0.05 . 1 . . . . . 19 Leu Hd . 25133 1 139 . 1 . 1 19 19 LEU HD22 H 1 0.97 0.05 . 1 . . . . . 19 Leu Hd . 25133 1 140 . 1 . 1 19 19 LEU HD23 H 1 0.97 0.05 . 1 . . . . . 19 Leu Hd . 25133 1 141 . 1 . 1 19 19 LEU C C 13 178.334 0.1 . 1 . . . . . 19 Leu C . 25133 1 142 . 1 . 1 19 19 LEU CA C 13 57.489 0.1 . 1 . . . . . 19 Leu Ca . 25133 1 143 . 1 . 1 19 19 LEU CB C 13 41.757 0.1 . 1 . . . . . 19 Leu Cb . 25133 1 144 . 1 . 1 19 19 LEU CD1 C 13 25.83 0.1 . 1 . . . . . 19 Leu Cd . 25133 1 145 . 1 . 1 19 19 LEU CD2 C 13 25.83 0.1 . 1 . . . . . 19 Leu Cd . 25133 1 146 . 1 . 1 19 19 LEU N N 15 116.737 0.2 . 1 . . . . . 19 Leu N . 25133 1 147 . 1 . 1 20 20 LYS H H 1 7.896 0.05 . 1 . . . . . 20 Lys HN . 25133 1 148 . 1 . 1 20 20 LYS HA H 1 3.911 0.05 . 1 . . . . . 20 Lys Ha . 25133 1 149 . 1 . 1 20 20 LYS HB2 H 1 1.877 0.05 . 2 . . . . . 20 Lys Hb . 25133 1 150 . 1 . 1 20 20 LYS HB3 H 1 1.877 0.05 . 2 . . . . . 20 Lys Hb . 25133 1 151 . 1 . 1 20 20 LYS C C 13 178.489 0.1 . 1 . . . . . 20 Lys C . 25133 1 152 . 1 . 1 20 20 LYS CA C 13 59.355 0.1 . 1 . . . . . 20 Lys Ca . 25133 1 153 . 1 . 1 20 20 LYS CB C 13 32.1 0.1 . 1 . . . . . 20 Lys Cb . 25133 1 154 . 1 . 1 20 20 LYS N N 15 119.591 0.2 . 1 . . . . . 20 Lys N . 25133 1 155 . 1 . 1 21 21 GLU H H 1 6.966 0.05 . 1 . . . . . 21 Glu HN . 25133 1 156 . 1 . 1 21 21 GLU HA H 1 3.986 0.05 . 1 . . . . . 21 Glu Ha . 25133 1 157 . 1 . 1 21 21 GLU HB2 H 1 1.871 0.05 . 2 . . . . . 21 Glu Hb . 25133 1 158 . 1 . 1 21 21 GLU HB3 H 1 1.871 0.05 . 2 . . . . . 21 Glu Hb . 25133 1 159 . 1 . 1 21 21 GLU C C 13 179.334 0.1 . 1 . . . . . 21 Glu C . 25133 1 160 . 1 . 1 21 21 GLU CA C 13 58.552 0.1 . 1 . . . . . 21 Glu Ca . 25133 1 161 . 1 . 1 21 21 GLU CB C 13 29.411 0.1 . 1 . . . . . 21 Glu Cb . 25133 1 162 . 1 . 1 21 21 GLU N N 15 117.058 0.2 . 1 . . . . . 21 Glu N . 25133 1 163 . 1 . 1 22 22 LEU H H 1 7.387 0.05 . 1 . . . . . 22 Leu HN . 25133 1 164 . 1 . 1 22 22 LEU HA H 1 3.482 0.05 . 1 . . . . . 22 Leu Ha . 25133 1 165 . 1 . 1 22 22 LEU HB2 H 1 -1.0 0.05 . 2 . . . . . 22 Leu Hb . 25133 1 166 . 1 . 1 22 22 LEU HB3 H 1 0.7 0.05 . 2 . . . . . 22 Leu Hb . 25133 1 167 . 1 . 1 22 22 LEU HG H 1 1.2 0.05 . 1 . . . . . 22 Leu Hg . 25133 1 168 . 1 . 1 22 22 LEU HD11 H 1 0.58 0.05 . 2 . . . . . 22 Leu Hd . 25133 1 169 . 1 . 1 22 22 LEU HD12 H 1 0.58 0.05 . 2 . . . . . 22 Leu Hd . 25133 1 170 . 1 . 1 22 22 LEU HD13 H 1 0.58 0.05 . 2 . . . . . 22 Leu Hd . 25133 1 171 . 1 . 1 22 22 LEU HD21 H 1 -0.32 0.05 . 2 . . . . . 22 Leu Hd . 25133 1 172 . 1 . 1 22 22 LEU HD22 H 1 -0.32 0.05 . 2 . . . . . 22 Leu Hd . 25133 1 173 . 1 . 1 22 22 LEU HD23 H 1 -0.32 0.05 . 2 . . . . . 22 Leu Hd . 25133 1 174 . 1 . 1 22 22 LEU C C 13 177.645 0.1 . 1 . . . . . 22 Leu C . 25133 1 175 . 1 . 1 22 22 LEU CA C 13 58.489 0.1 . 1 . . . . . 22 Leu Ca . 25133 1 176 . 1 . 1 22 22 LEU CB C 13 38.577 0.1 . 1 . . . . . 22 Leu Cb . 25133 1 177 . 1 . 1 22 22 LEU CD1 C 13 22.67 0.1 . 2 . . . . . 22 Leu Cd . 25133 1 178 . 1 . 1 22 22 LEU CD2 C 13 23.59 0.1 . 2 . . . . . 22 Leu Cd . 25133 1 179 . 1 . 1 22 22 LEU N N 15 120.374 0.2 . 1 . . . . . 22 Leu N . 25133 1 180 . 1 . 1 23 23 GLU H H 1 8.676 0.05 . 1 . . . . . 23 Glu HN . 25133 1 181 . 1 . 1 23 23 GLU HA H 1 4.231 0.05 . 1 . . . . . 23 Glu Ha . 25133 1 182 . 1 . 1 23 23 GLU HB2 H 1 2.013 0.05 . 2 . . . . . 23 Glu Hb . 25133 1 183 . 1 . 1 23 23 GLU HB3 H 1 2.013 0.05 . 2 . . . . . 23 Glu Hb . 25133 1 184 . 1 . 1 23 23 GLU C C 13 180.572 0.1 . 1 . . . . . 23 Glu C . 25133 1 185 . 1 . 1 23 23 GLU CA C 13 58.884 0.1 . 1 . . . . . 23 Glu Ca . 25133 1 186 . 1 . 1 23 23 GLU CB C 13 28.912 0.1 . 1 . . . . . 23 Glu Cb . 25133 1 187 . 1 . 1 23 23 GLU N N 15 117.522 0.2 . 1 . . . . . 23 Glu N . 25133 1 188 . 1 . 1 24 24 ASN H H 1 8.202 0.05 . 1 . . . . . 24 Asn HN . 25133 1 189 . 1 . 1 24 24 ASN HA H 1 4.425 0.05 . 1 . . . . . 24 Asn Ha . 25133 1 190 . 1 . 1 24 24 ASN HB2 H 1 3.017 0.05 . 2 . . . . . 24 Asn Hb2 . 25133 1 191 . 1 . 1 24 24 ASN HB3 H 1 2.753 0.05 . 2 . . . . . 24 Asn Hb3 . 25133 1 192 . 1 . 1 24 24 ASN C C 13 177.977 0.1 . 1 . . . . . 24 Asn C . 25133 1 193 . 1 . 1 24 24 ASN CA C 13 55.983 0.1 . 1 . . . . . 24 Asn Ca . 25133 1 194 . 1 . 1 24 24 ASN CB C 13 37.907 0.1 . 1 . . . . . 24 Asn Cb . 25133 1 195 . 1 . 1 24 24 ASN N N 15 118.981 0.2 . 1 . . . . . 24 Asn N . 25133 1 196 . 1 . 1 25 25 GLU H H 1 7.515 0.05 . 1 . . . . . 25 Glu HN . 25133 1 197 . 1 . 1 25 25 GLU HA H 1 4.314 0.05 . 1 . . . . . 25 Glu Ha . 25133 1 198 . 1 . 1 25 25 GLU HB2 H 1 2.253 0.05 . 2 . . . . . 25 Glu Hb . 25133 1 199 . 1 . 1 25 25 GLU HB3 H 1 2.253 0.05 . 2 . . . . . 25 Glu Hb . 25133 1 200 . 1 . 1 25 25 GLU C C 13 178.419 0.1 . 1 . . . . . 25 Glu C . 25133 1 201 . 1 . 1 25 25 GLU CA C 13 58.608 0.1 . 1 . . . . . 25 Glu Ca . 25133 1 202 . 1 . 1 25 25 GLU CB C 13 29.284 0.1 . 1 . . . . . 25 Glu Cb . 25133 1 203 . 1 . 1 25 25 GLU N N 15 119.257 0.2 . 1 . . . . . 25 Glu N . 25133 1 204 . 1 . 1 26 26 TYR H H 1 8.819 0.05 . 1 . . . . . 26 Tyr HN . 25133 1 205 . 1 . 1 26 26 TYR C C 13 175.487 0.1 . 1 . . . . . 26 Tyr C . 25133 1 206 . 1 . 1 26 26 TYR CA C 13 61.178 0.1 . 1 . . . . . 26 Tyr Ca . 25133 1 207 . 1 . 1 26 26 TYR CB C 13 38.757 0.1 . 1 . . . . . 26 Tyr Cb . 25133 1 208 . 1 . 1 26 26 TYR N N 15 123.898 0.2 . 1 . . . . . 26 Tyr N . 25133 1 209 . 1 . 1 27 27 ALA H H 1 8.258 0.05 . 1 . . . . . 27 Ala HN . 25133 1 210 . 1 . 1 27 27 ALA HA H 1 4.174 0.05 . 1 . . . . . 27 Ala Ha . 25133 1 211 . 1 . 1 27 27 ALA HB1 H 1 1.308 0.05 . 1 . . . . . 27 Ala Hb . 25133 1 212 . 1 . 1 27 27 ALA HB2 H 1 1.308 0.05 . 1 . . . . . 27 Ala Hb . 25133 1 213 . 1 . 1 27 27 ALA HB3 H 1 1.308 0.05 . 1 . . . . . 27 Ala Hb . 25133 1 214 . 1 . 1 27 27 ALA C C 13 177.926 0.1 . 1 . . . . . 27 Ala C . 25133 1 215 . 1 . 1 27 27 ALA CA C 13 53.06 0.1 . 1 . . . . . 27 Ala Ca . 25133 1 216 . 1 . 1 27 27 ALA CB C 13 19.068 0.1 . 1 . . . . . 27 Ala Cb . 25133 1 217 . 1 . 1 27 27 ALA N N 15 122.511 0.2 . 1 . . . . . 27 Ala N . 25133 1 218 . 1 . 1 28 28 ILE H H 1 7.756 0.05 . 1 . . . . . 28 Ile HN . 25133 1 219 . 1 . 1 28 28 ILE HA H 1 4.262 0.05 . 1 . . . . . 28 Ile Ha . 25133 1 220 . 1 . 1 28 28 ILE HB H 1 1.797 0.05 . 1 . . . . . 28 Ile Hb . 25133 1 221 . 1 . 1 28 28 ILE HG21 H 1 0.88 0.05 . 1 . . . . . 28 Ile Hg . 25133 1 222 . 1 . 1 28 28 ILE HG22 H 1 0.88 0.05 . 1 . . . . . 28 Ile Hg . 25133 1 223 . 1 . 1 28 28 ILE HG23 H 1 0.88 0.05 . 1 . . . . . 28 Ile Hg . 25133 1 224 . 1 . 1 28 28 ILE HD11 H 1 0.81 0.05 . 1 . . . . . 28 Ile Hd . 25133 1 225 . 1 . 1 28 28 ILE HD12 H 1 0.81 0.05 . 1 . . . . . 28 Ile Hd . 25133 1 226 . 1 . 1 28 28 ILE HD13 H 1 0.81 0.05 . 1 . . . . . 28 Ile Hd . 25133 1 227 . 1 . 1 28 28 ILE C C 13 176.296 0.1 . 1 . . . . . 28 Ile C . 25133 1 228 . 1 . 1 28 28 ILE CA C 13 61.875 0.1 . 1 . . . . . 28 Ile Ca . 25133 1 229 . 1 . 1 28 28 ILE CB C 13 38.543 0.1 . 1 . . . . . 28 Ile Cb . 25133 1 230 . 1 . 1 28 28 ILE CG2 C 13 17.42 0.1 . 1 . . . . . 28 Ile Cg . 25133 1 231 . 1 . 1 28 28 ILE CD1 C 13 12.95 0.1 . 1 . . . . . 28 Ile Cd . 25133 1 232 . 1 . 1 28 28 ILE N N 15 118.504 0.2 . 1 . . . . . 28 Ile N . 25133 1 233 . 1 . 1 29 29 ASN H H 1 8.126 0.05 . 1 . . . . . 29 Asn HN . 25133 1 234 . 1 . 1 29 29 ASN HA H 1 4.563 0.05 . 1 . . . . . 29 Asn Ha . 25133 1 235 . 1 . 1 29 29 ASN HB2 H 1 2.695 0.05 . 2 . . . . . 29 Asn Hb . 25133 1 236 . 1 . 1 29 29 ASN HB3 H 1 2.695 0.05 . 2 . . . . . 29 Asn Hb . 25133 1 237 . 1 . 1 29 29 ASN C C 13 175.3 0.1 . 1 . . . . . 29 Asn C . 25133 1 238 . 1 . 1 29 29 ASN CA C 13 53.557 0.1 . 1 . . . . . 29 Asn Ca . 25133 1 239 . 1 . 1 29 29 ASN CB C 13 38.676 0.1 . 1 . . . . . 29 Asn Cb . 25133 1 240 . 1 . 1 29 29 ASN N N 15 121.086 0.2 . 1 . . . . . 29 Asn N . 25133 1 241 . 1 . 1 30 30 LYS H H 1 7.922 0.05 . 1 . . . . . 30 Lys HN . 25133 1 242 . 1 . 1 30 30 LYS HA H 1 3.85 0.05 . 1 . . . . . 30 Lys Ha . 25133 1 243 . 1 . 1 30 30 LYS C C 13 176.257 0.1 . 1 . . . . . 30 Lys C . 25133 1 244 . 1 . 1 30 30 LYS CA C 13 56.862 0.1 . 1 . . . . . 30 Lys Ca . 25133 1 245 . 1 . 1 30 30 LYS CB C 13 32.666 0.1 . 1 . . . . . 30 Lys Cb . 25133 1 246 . 1 . 1 30 30 LYS N N 15 121.159 0.2 . 1 . . . . . 30 Lys N . 25133 1 247 . 1 . 1 31 31 PHE H H 1 7.996 0.05 . 1 . . . . . 31 Phe HN . 25133 1 248 . 1 . 1 31 31 PHE HA H 1 4.53 0.05 . 1 . . . . . 31 Phe Ha . 25133 1 249 . 1 . 1 31 31 PHE HB2 H 1 3.054 0.05 . 2 . . . . . 31 Phe Hb2 . 25133 1 250 . 1 . 1 31 31 PHE HB3 H 1 2.937 0.05 . 2 . . . . . 31 Phe Hb3 . 25133 1 251 . 1 . 1 31 31 PHE C C 13 175.664 0.1 . 1 . . . . . 31 Phe C . 25133 1 252 . 1 . 1 31 31 PHE CA C 13 57.822 0.1 . 1 . . . . . 31 Phe Ca . 25133 1 253 . 1 . 1 31 31 PHE CB C 13 39.208 0.1 . 1 . . . . . 31 Phe Cb . 25133 1 254 . 1 . 1 31 31 PHE N N 15 119.895 0.2 . 1 . . . . . 31 Phe N . 25133 1 255 . 1 . 1 32 32 ILE H H 1 7.722 0.05 . 1 . . . . . 32 Ile HN . 25133 1 256 . 1 . 1 32 32 ILE HA H 1 4.513 0.05 . 1 . . . . . 32 Ile Ha . 25133 1 257 . 1 . 1 32 32 ILE HB H 1 1.0 0.05 . 1 . . . . . 32 Ile Hb . 25133 1 258 . 1 . 1 32 32 ILE HG21 H 1 0.39 0.05 . 1 . . . . . 32 Ile Hg . 25133 1 259 . 1 . 1 32 32 ILE HG22 H 1 0.39 0.05 . 1 . . . . . 32 Ile Hg . 25133 1 260 . 1 . 1 32 32 ILE HG23 H 1 0.39 0.05 . 1 . . . . . 32 Ile Hg . 25133 1 261 . 1 . 1 32 32 ILE HD11 H 1 0.35 0.05 . 1 . . . . . 32 Ile Hd . 25133 1 262 . 1 . 1 32 32 ILE HD12 H 1 0.35 0.05 . 1 . . . . . 32 Ile Hd . 25133 1 263 . 1 . 1 32 32 ILE HD13 H 1 0.35 0.05 . 1 . . . . . 32 Ile Hd . 25133 1 264 . 1 . 1 32 32 ILE C C 13 175.82 0.1 . 1 . . . . . 32 Ile C . 25133 1 265 . 1 . 1 32 32 ILE CA C 13 58.80 0.1 . 1 . . . . . 32 Ile Ca . 25133 1 266 . 1 . 1 32 32 ILE CB C 13 38.426 0.1 . 1 . . . . . 32 Ile Cb . 25133 1 267 . 1 . 1 32 32 ILE CG2 C 13 18.07 0.1 . 1 . . . . . 32 Ile Cg . 25133 1 268 . 1 . 1 32 32 ILE CD1 C 13 15.31 0.1 . 1 . . . . . 32 Ile Cd . 25133 1 269 . 1 . 1 32 32 ILE N N 15 121.462 0.2 . 1 . . . . . 32 Ile N . 25133 1 270 . 1 . 1 33 33 ASN H H 1 7.701 0.05 . 1 . . . . . 33 Asn HN . 25133 1 271 . 1 . 1 33 33 ASN HA H 1 4.571 0.05 . 1 . . . . . 33 Asn Ha . 25133 1 272 . 1 . 1 33 33 ASN HB2 H 1 2.719 0.05 . 2 . . . . . 33 Asn Hb . 25133 1 273 . 1 . 1 33 33 ASN HB3 H 1 2.719 0.05 . 2 . . . . . 33 Asn Hb . 25133 1 274 . 1 . 1 33 33 ASN CA C 13 53.787 0.1 . 1 . . . . . 33 Asn Ca . 25133 1 275 . 1 . 1 33 33 ASN CB C 13 38.983 0.1 . 1 . . . . . 33 Asn Cb . 25133 1 276 . 1 . 1 33 33 ASN N N 15 116.557 0.2 . 1 . . . . . 33 Asn N . 25133 1 277 . 1 . 1 34 34 LYS H H 1 8.276 0.05 . 1 . . . . . 34 Lys HN . 25133 1 278 . 1 . 1 34 34 LYS HA H 1 4.267 0.05 . 1 . . . . . 34 Lys Ha . 25133 1 279 . 1 . 1 34 34 LYS HB2 H 1 1.85 0.05 . 2 . . . . . 34 Lys Hb . 25133 1 280 . 1 . 1 34 34 LYS HB3 H 1 1.85 0.05 . 2 . . . . . 34 Lys Hb . 25133 1 281 . 1 . 1 34 34 LYS C C 13 177.209 0.1 . 1 . . . . . 34 Lys C . 25133 1 282 . 1 . 1 34 34 LYS CA C 13 56.966 0.1 . 1 . . . . . 34 Lys Ca . 25133 1 283 . 1 . 1 34 34 LYS CB C 13 32.736 0.1 . 1 . . . . . 34 Lys Cb . 25133 1 284 . 1 . 1 34 34 LYS N N 15 121.216 0.2 . 1 . . . . . 34 Lys N . 25133 1 285 . 1 . 1 35 35 ASP H H 1 7.828 0.05 . 1 . . . . . 35 Asp HN . 25133 1 286 . 1 . 1 35 35 ASP CA C 13 55.733 0.1 . 1 . . . . . 35 Asp Ca . 25133 1 287 . 1 . 1 35 35 ASP CB C 13 42.107 0.1 . 1 . . . . . 35 Asp Cb . 25133 1 288 . 1 . 1 35 35 ASP N N 15 121.741 0.2 . 1 . . . . . 35 Asp N . 25133 1 289 . 1 . 1 36 36 LYS H H 1 8.119 0.05 . 1 . . . . . 36 Lys HN . 25133 1 290 . 1 . 1 36 36 LYS C C 13 178.571 0.1 . 1 . . . . . 36 Lys C . 25133 1 291 . 1 . 1 36 36 LYS CA C 13 57.239 0.1 . 1 . . . . . 36 Lys Ca . 25133 1 292 . 1 . 1 36 36 LYS CB C 13 31.281 0.1 . 1 . . . . . 36 Lys Cb . 25133 1 293 . 1 . 1 36 36 LYS N N 15 120.696 0.2 . 1 . . . . . 36 Lys N . 25133 1 294 . 1 . 1 37 37 ARG H H 1 8.522 0.05 . 1 . . . . . 37 Arg HN . 25133 1 295 . 1 . 1 37 37 ARG CA C 13 60.124 0.1 . 1 . . . . . 37 Arg Ca . 25133 1 296 . 1 . 1 37 37 ARG N N 15 120.275 0.2 . 1 . . . . . 37 Arg N . 25133 1 297 . 1 . 1 39 39 ARG HA H 1 4.045 0.05 . 1 . . . . . 39 Arg Ha . 25133 1 298 . 1 . 1 39 39 ARG HB2 H 1 2.178 0.05 . 2 . . . . . 39 Arg Hb . 25133 1 299 . 1 . 1 39 39 ARG HB3 H 1 2.178 0.05 . 2 . . . . . 39 Arg Hb . 25133 1 300 . 1 . 1 39 39 ARG C C 13 179.185 0.1 . 1 . . . . . 39 Arg C . 25133 1 301 . 1 . 1 39 39 ARG CA C 13 59.162 0.1 . 1 . . . . . 39 Arg Ca . 25133 1 302 . 1 . 1 39 39 ARG CB C 13 28.777 0.1 . 1 . . . . . 39 Arg Cb . 25133 1 303 . 1 . 1 40 40 ILE H H 1 8.872 0.05 . 1 . . . . . 40 Ile HN . 25133 1 304 . 1 . 1 40 40 ILE HA H 1 3.849 0.05 . 1 . . . . . 40 Ile Ha . 25133 1 305 . 1 . 1 40 40 ILE HB H 1 1.793 0.05 . 1 . . . . . 40 Ile Hb . 25133 1 306 . 1 . 1 40 40 ILE HG21 H 1 0.89 0.05 . 1 . . . . . 40 Ile Hg . 25133 1 307 . 1 . 1 40 40 ILE HG22 H 1 0.89 0.05 . 1 . . . . . 40 Ile Hg . 25133 1 308 . 1 . 1 40 40 ILE HG23 H 1 0.89 0.05 . 1 . . . . . 40 Ile Hg . 25133 1 309 . 1 . 1 40 40 ILE HD11 H 1 0.86 0.05 . 1 . . . . . 40 Ile Hd . 25133 1 310 . 1 . 1 40 40 ILE HD12 H 1 0.86 0.05 . 1 . . . . . 40 Ile Hd . 25133 1 311 . 1 . 1 40 40 ILE HD13 H 1 0.86 0.05 . 1 . . . . . 40 Ile Hd . 25133 1 312 . 1 . 1 40 40 ILE C C 13 179.925 0.1 . 1 . . . . . 40 Ile C . 25133 1 313 . 1 . 1 40 40 ILE CA C 13 64.508 0.1 . 1 . . . . . 40 Ile Ca . 25133 1 314 . 1 . 1 40 40 ILE CB C 13 37.677 0.1 . 1 . . . . . 40 Ile Cb . 25133 1 315 . 1 . 1 40 40 ILE CG2 C 13 19.26 0.1 . 1 . . . . . 40 Ile Cg . 25133 1 316 . 1 . 1 40 40 ILE CD1 C 13 14.0 0.1 . 1 . . . . . 40 Ile Cd . 25133 1 317 . 1 . 1 40 40 ILE N N 15 120.776 0.2 . 1 . . . . . 40 Ile N . 25133 1 318 . 1 . 1 41 41 SER H H 1 8.294 0.05 . 1 . . . . . 41 Ser HN . 25133 1 319 . 1 . 1 41 41 SER HA H 1 4.322 0.05 . 1 . . . . . 41 Ser Ha . 25133 1 320 . 1 . 1 41 41 SER HB2 H 1 3.941 0.05 . 2 . . . . . 41 Ser Hb . 25133 1 321 . 1 . 1 41 41 SER HB3 H 1 3.941 0.05 . 2 . . . . . 41 Ser Hb . 25133 1 322 . 1 . 1 41 41 SER C C 13 176.474 0.1 . 1 . . . . . 41 Ser C . 25133 1 323 . 1 . 1 41 41 SER CA C 13 61.391 0.1 . 1 . . . . . 41 Ser Ca . 25133 1 324 . 1 . 1 41 41 SER CB C 13 63.431 0.1 . 1 . . . . . 41 Ser Cb . 25133 1 325 . 1 . 1 41 41 SER N N 15 119.324 0.2 . 1 . . . . . 41 Ser N . 25133 1 326 . 1 . 1 42 42 ALA H H 1 7.779 0.05 . 1 . . . . . 42 Ala HN . 25133 1 327 . 1 . 1 42 42 ALA HA H 1 4.146 0.05 . 1 . . . . . 42 Ala Ha . 25133 1 328 . 1 . 1 42 42 ALA HB1 H 1 1.477 0.05 . 1 . . . . . 42 Ala Hb . 25133 1 329 . 1 . 1 42 42 ALA HB2 H 1 1.477 0.05 . 1 . . . . . 42 Ala Hb . 25133 1 330 . 1 . 1 42 42 ALA HB3 H 1 1.477 0.05 . 1 . . . . . 42 Ala Hb . 25133 1 331 . 1 . 1 42 42 ALA C C 13 179.728 0.1 . 1 . . . . . 42 Ala C . 25133 1 332 . 1 . 1 42 42 ALA CA C 13 54.806 0.1 . 1 . . . . . 42 Ala Ca . 25133 1 333 . 1 . 1 42 42 ALA CB C 13 17.866 0.1 . 1 . . . . . 42 Ala Cb . 25133 1 334 . 1 . 1 42 42 ALA N N 15 122.292 0.2 . 1 . . . . . 42 Ala N . 25133 1 335 . 1 . 1 43 43 ALA H H 1 7.726 0.05 . 1 . . . . . 43 Ala HN . 25133 1 336 . 1 . 1 43 43 ALA CA C 13 54.169 0.1 . 1 . . . . . 43 Ala Ca . 25133 1 337 . 1 . 1 43 43 ALA N N 15 118.177 0.2 . 1 . . . . . 43 Ala N . 25133 1 338 . 1 . 1 44 44 THR H H 1 7.777 0.05 . 1 . . . . . 44 Thr HN . 25133 1 339 . 1 . 1 44 44 THR HA H 1 3.954 0.05 . 1 . . . . . 44 Thr Ha . 25133 1 340 . 1 . 1 44 44 THR HB H 1 4.288 0.05 . 1 . . . . . 44 Thr Hb . 25133 1 341 . 1 . 1 44 44 THR HG21 H 1 1.20 0.05 . 1 . . . . . 44 Thr Hg . 25133 1 342 . 1 . 1 44 44 THR HG22 H 1 1.20 0.05 . 1 . . . . . 44 Thr Hg . 25133 1 343 . 1 . 1 44 44 THR HG23 H 1 1.20 0.05 . 1 . . . . . 44 Thr Hg . 25133 1 344 . 1 . 1 44 44 THR C C 13 175.620 0.1 . 1 . . . . . 44 Thr C . 25133 1 345 . 1 . 1 44 44 THR CA C 13 62.084 0.1 . 1 . . . . . 44 Thr Ca . 25133 1 346 . 1 . 1 44 44 THR CB C 13 72.408 0.1 . 1 . . . . . 44 Thr Cb . 25133 1 347 . 1 . 1 44 44 THR CG2 C 13 22.41 0.1 . 1 . . . . . 44 Thr Cg . 25133 1 348 . 1 . 1 44 44 THR N N 15 117.888 0.2 . 1 . . . . . 44 Thr N . 25133 1 349 . 1 . 1 45 45 ASN H H 1 8.054 0.05 . 1 . . . . . 45 Asn HN . 25133 1 350 . 1 . 1 45 45 ASN HA H 1 4.356 0.05 . 1 . . . . . 45 Asn Ha . 25133 1 351 . 1 . 1 45 45 ASN HB2 H 1 2.965 0.05 . 2 . . . . . 45 Asn Hb . 25133 1 352 . 1 . 1 45 45 ASN HB3 H 1 2.965 0.05 . 2 . . . . . 45 Asn Hb . 25133 1 353 . 1 . 1 45 45 ASN C C 13 173.969 0.1 . 1 . . . . . 45 Asn C . 25133 1 354 . 1 . 1 45 45 ASN CA C 13 55.421 0.1 . 1 . . . . . 45 Asn Ca . 25133 1 355 . 1 . 1 45 45 ASN CB C 13 37.717 0.1 . 1 . . . . . 45 Asn Cb . 25133 1 356 . 1 . 1 45 45 ASN N N 15 117.991 0.2 . 1 . . . . . 45 Asn N . 25133 1 357 . 1 . 1 46 46 LEU H H 1 7.697 0.05 . 1 . . . . . 46 Leu HN . 25133 1 358 . 1 . 1 46 46 LEU HA H 1 4.505 0.05 . 1 . . . . . 46 Leu Ha . 25133 1 359 . 1 . 1 46 46 LEU HB2 H 1 1.415 0.05 . 2 . . . . . 46 Leu Hb . 25133 1 360 . 1 . 1 46 46 LEU HB3 H 1 1.10 0.05 . 2 . . . . . 46 Leu Hb . 25133 1 361 . 1 . 1 46 46 LEU HG H 1 1.13 0.05 . 1 . . . . . 46 Leu Hg . 25133 1 362 . 1 . 1 46 46 LEU HD11 H 1 0.19 0.05 . 2 . . . . . 46 Leu Hd . 25133 1 363 . 1 . 1 46 46 LEU HD12 H 1 0.19 0.05 . 2 . . . . . 46 Leu Hd . 25133 1 364 . 1 . 1 46 46 LEU HD13 H 1 0.19 0.05 . 2 . . . . . 46 Leu Hd . 25133 1 365 . 1 . 1 46 46 LEU HD21 H 1 0.20 0.05 . 2 . . . . . 46 Leu Hd . 25133 1 366 . 1 . 1 46 46 LEU HD22 H 1 0.20 0.05 . 2 . . . . . 46 Leu Hd . 25133 1 367 . 1 . 1 46 46 LEU HD23 H 1 0.20 0.05 . 2 . . . . . 46 Leu Hd . 25133 1 368 . 1 . 1 46 46 LEU C C 13 177.074 0.1 . 1 . . . . . 46 Leu C . 25133 1 369 . 1 . 1 46 46 LEU CA C 13 53.222 0.1 . 1 . . . . . 46 Leu Ca . 25133 1 370 . 1 . 1 46 46 LEU CB C 13 44.146 0.1 . 1 . . . . . 46 Leu Cb . 25133 1 371 . 1 . 1 46 46 LEU CD1 C 13 26.09 0.1 . 2 . . . . . 46 Leu Cd . 25133 1 372 . 1 . 1 46 46 LEU CD2 C 13 22.41 0.1 . 2 . . . . . 46 Leu Cd . 25133 1 373 . 1 . 1 46 46 LEU N N 15 119.99 0.2 . 1 . . . . . 46 Leu N . 25133 1 374 . 1 . 1 47 47 SER H H 1 9.623 0.05 . 1 . . . . . 47 Ser HN . 25133 1 375 . 1 . 1 47 47 SER HA H 1 4.419 0.05 . 1 . . . . . 47 Ser Ha . 25133 1 376 . 1 . 1 47 47 SER HB2 H 1 4.063 0.05 . 2 . . . . . 47 Ser Hb . 25133 1 377 . 1 . 1 47 47 SER HB3 H 1 4.063 0.05 . 2 . . . . . 47 Ser Hb . 25133 1 378 . 1 . 1 47 47 SER C C 13 175.139 0.1 . 1 . . . . . 47 Ser C . 25133 1 379 . 1 . 1 47 47 SER CA C 13 57.313 0.1 . 1 . . . . . 47 Ser Ca . 25133 1 380 . 1 . 1 47 47 SER CB C 13 65.18 0.1 . 1 . . . . . 47 Ser Cb . 25133 1 381 . 1 . 1 47 47 SER N N 15 119.273 0.2 . 1 . . . . . 47 Ser N . 25133 1 382 . 1 . 1 48 48 GLU H H 1 9.11 0.05 . 1 . . . . . 48 Glu HN . 25133 1 383 . 1 . 1 48 48 GLU C C 13 178.564 0.1 . 1 . . . . . 48 Glu C . 25133 1 384 . 1 . 1 48 48 GLU CA C 13 61.938 0.1 . 1 . . . . . 48 Glu Ca . 25133 1 385 . 1 . 1 48 48 GLU CB C 13 29.607 0.1 . 1 . . . . . 48 Glu Cb . 25133 1 386 . 1 . 1 48 48 GLU N N 15 121.347 0.2 . 1 . . . . . 48 Glu N . 25133 1 387 . 1 . 1 49 49 ARG H H 1 8.259 0.05 . 1 . . . . . 49 Arg HN . 25133 1 388 . 1 . 1 49 49 ARG HA H 1 4.114 0.05 . 1 . . . . . 49 Arg Ha . 25133 1 389 . 1 . 1 49 49 ARG HB2 H 1 1.949 0.05 . 2 . . . . . 49 Arg Hb . 25133 1 390 . 1 . 1 49 49 ARG HB3 H 1 1.949 0.05 . 2 . . . . . 49 Arg Hb . 25133 1 391 . 1 . 1 49 49 ARG C C 13 177.856 0.1 . 1 . . . . . 49 Arg C . 25133 1 392 . 1 . 1 49 49 ARG CA C 13 59.314 0.1 . 1 . . . . . 49 Arg Ca . 25133 1 393 . 1 . 1 49 49 ARG CB C 13 29.994 0.1 . 1 . . . . . 49 Arg Cb . 25133 1 394 . 1 . 1 49 49 ARG N N 15 120.195 0.2 . 1 . . . . . 49 Arg N . 25133 1 395 . 1 . 1 50 50 GLN H H 1 8.126 0.05 . 1 . . . . . 50 Gln HN . 25133 1 396 . 1 . 1 50 50 GLN HA H 1 4.083 0.05 . 1 . . . . . 50 Gln Ha . 25133 1 397 . 1 . 1 50 50 GLN HB2 H 1 2.166 0.05 . 2 . . . . . 50 Gln Hb . 25133 1 398 . 1 . 1 50 50 GLN HB3 H 1 2.166 0.05 . 2 . . . . . 50 Gln Hb . 25133 1 399 . 1 . 1 50 50 GLN C C 13 180.629 0.1 . 1 . . . . . 50 Gln C . 25133 1 400 . 1 . 1 50 50 GLN CA C 13 59.827 0.1 . 1 . . . . . 50 Gln Ca . 25133 1 401 . 1 . 1 50 50 GLN CB C 13 30.041 0.1 . 1 . . . . . 50 Gln Cb . 25133 1 402 . 1 . 1 50 50 GLN N N 15 118.704 0.2 . 1 . . . . . 50 Gln N . 25133 1 403 . 1 . 1 51 51 VAL H H 1 8.423 0.05 . 1 . . . . . 51 Val HN . 25133 1 404 . 1 . 1 51 51 VAL HA H 1 3.716 0.05 . 1 . . . . . 51 Val Ha . 25133 1 405 . 1 . 1 51 51 VAL HB H 1 2.40 0.05 . 1 . . . . . 51 Val Hb . 25133 1 406 . 1 . 1 51 51 VAL HG11 H 1 1.12 0.05 . 2 . . . . . 51 Val Hg . 25133 1 407 . 1 . 1 51 51 VAL HG12 H 1 1.12 0.05 . 2 . . . . . 51 Val Hg . 25133 1 408 . 1 . 1 51 51 VAL HG13 H 1 1.12 0.05 . 2 . . . . . 51 Val Hg . 25133 1 409 . 1 . 1 51 51 VAL HG21 H 1 0.96 0.05 . 2 . . . . . 51 Val Hg . 25133 1 410 . 1 . 1 51 51 VAL HG22 H 1 0.96 0.05 . 2 . . . . . 51 Val Hg . 25133 1 411 . 1 . 1 51 51 VAL HG23 H 1 0.96 0.05 . 2 . . . . . 51 Val Hg . 25133 1 412 . 1 . 1 51 51 VAL C C 13 177.257 0.1 . 1 . . . . . 51 Val C . 25133 1 413 . 1 . 1 51 51 VAL CA C 13 68.212 0.1 . 1 . . . . . 51 Val Ca . 25133 1 414 . 1 . 1 51 51 VAL CB C 13 31.587 0.1 . 1 . . . . . 51 Val Cb . 25133 1 415 . 1 . 1 51 51 VAL CG1 C 13 22.67 0.1 . 2 . . . . . 51 Val Cg . 25133 1 416 . 1 . 1 51 51 VAL CG2 C 13 23.07 0.1 . 2 . . . . . 51 Val Cg . 25133 1 417 . 1 . 1 51 51 VAL N N 15 121.818 0.2 . 1 . . . . . 51 Val N . 25133 1 418 . 1 . 1 52 52 THR H H 1 8.585 0.05 . 1 . . . . . 52 Thr HN . 25133 1 419 . 1 . 1 52 52 THR HA H 1 3.96 0.05 . 1 . . . . . 52 Thr Ha . 25133 1 420 . 1 . 1 52 52 THR HB H 1 4.5 0.05 . 1 . . . . . 52 Thr Hb . 25133 1 421 . 1 . 1 52 52 THR HG21 H 1 1.45 0.05 . 1 . . . . . 52 Thr Hg . 25133 1 422 . 1 . 1 52 52 THR HG22 H 1 1.45 0.05 . 1 . . . . . 52 Thr Hg . 25133 1 423 . 1 . 1 52 52 THR HG23 H 1 1.45 0.05 . 1 . . . . . 52 Thr Hg . 25133 1 424 . 1 . 1 52 52 THR C C 13 177.821 0.1 . 1 . . . . . 52 Thr C . 25133 1 425 . 1 . 1 52 52 THR CA C 13 67.895 0.1 . 1 . . . . . 52 Thr Ca . 25133 1 426 . 1 . 1 52 52 THR CB C 13 69.155 0.1 . 1 . . . . . 52 Thr Cb . 25133 1 427 . 1 . 1 52 52 THR CG2 C 13 22.0 0.1 . 1 . . . . . 52 Thr Cg . 25133 1 428 . 1 . 1 52 52 THR N N 15 118.827 0.2 . 1 . . . . . 52 Thr N . 25133 1 429 . 1 . 1 53 53 ILE H H 1 8.689 0.05 . 1 . . . . . 53 Ile HN . 25133 1 430 . 1 . 1 53 53 ILE HA H 1 3.752 0.05 . 1 . . . . . 53 Ile Ha . 25133 1 431 . 1 . 1 53 53 ILE HB H 1 1.90 0.05 . 1 . . . . . 53 Ile Hb . 25133 1 432 . 1 . 1 53 53 ILE HG21 H 1 0.94 0.05 . 1 . . . . . 53 Ile Hg . 25133 1 433 . 1 . 1 53 53 ILE HG22 H 1 0.94 0.05 . 1 . . . . . 53 Ile Hg . 25133 1 434 . 1 . 1 53 53 ILE HG23 H 1 0.94 0.05 . 1 . . . . . 53 Ile Hg . 25133 1 435 . 1 . 1 53 53 ILE HD11 H 1 0.83 0.05 . 1 . . . . . 53 Ile Hd . 25133 1 436 . 1 . 1 53 53 ILE HD12 H 1 0.83 0.05 . 1 . . . . . 53 Ile Hd . 25133 1 437 . 1 . 1 53 53 ILE HD13 H 1 0.83 0.05 . 1 . . . . . 53 Ile Hd . 25133 1 438 . 1 . 1 53 53 ILE C C 13 176.91 0.1 . 1 . . . . . 53 Ile C . 25133 1 439 . 1 . 1 53 53 ILE CA C 13 65.231 0.1 . 1 . . . . . 53 Ile Ca . 25133 1 440 . 1 . 1 53 53 ILE CB C 13 38.421 0.1 . 1 . . . . . 53 Ile Cb . 25133 1 441 . 1 . 1 53 53 ILE CG2 C 13 17.68 0.1 . 1 . . . . . 53 Ile Cg . 25133 1 442 . 1 . 1 53 53 ILE CD1 C 13 13.08 0.1 . 1 . . . . . 53 Ile Cd . 25133 1 443 . 1 . 1 53 53 ILE N N 15 123.421 0.2 . 1 . . . . . 53 Ile N . 25133 1 444 . 1 . 1 54 54 TRP H H 1 8.75 0.05 . 1 . . . . . 54 Trp HN . 25133 1 445 . 1 . 1 54 54 TRP C C 13 179.685 0.1 . 1 . . . . . 54 Trp C . 25133 1 446 . 1 . 1 54 54 TRP CA C 13 63.133 0.1 . 1 . . . . . 54 Trp Ca . 25133 1 447 . 1 . 1 54 54 TRP CB C 13 28.72 0.1 . 1 . . . . . 54 Trp Cb . 25133 1 448 . 1 . 1 54 54 TRP N N 15 122.776 0.2 . 1 . . . . . 54 Trp N . 25133 1 449 . 1 . 1 55 55 PHE H H 1 8.75 0.05 . 1 . . . . . 55 Phe HN . 25133 1 450 . 1 . 1 55 55 PHE CA C 13 63.52 0.1 . 1 . . . . . 55 Phe Ca . 25133 1 451 . 1 . 1 55 55 PHE CB C 13 39.34 0.1 . 1 . . . . . 55 Phe Cb . 25133 1 452 . 1 . 1 55 55 PHE N N 15 119.836 0.2 . 1 . . . . . 55 Phe N . 25133 1 453 . 1 . 1 56 56 GLN H H 1 7.791 0.05 . 1 . . . . . 56 Gln HN . 25133 1 454 . 1 . 1 56 56 GLN HA H 1 4.3 0.05 . 1 . . . . . 56 Gln Ha . 25133 1 455 . 1 . 1 56 56 GLN HB2 H 1 1.913 0.05 . 2 . . . . . 56 Gln Hb . 25133 1 456 . 1 . 1 56 56 GLN HB3 H 1 1.913 0.05 . 2 . . . . . 56 Gln Hb . 25133 1 457 . 1 . 1 56 56 GLN C C 13 175.511 0.1 . 1 . . . . . 56 Gln C . 25133 1 458 . 1 . 1 56 56 GLN CA C 13 55.517 0.1 . 1 . . . . . 56 Gln Ca . 25133 1 459 . 1 . 1 56 56 GLN CB C 13 29.388 0.1 . 1 . . . . . 56 Gln Cb . 25133 1 460 . 1 . 1 56 56 GLN N N 15 118.918 0.2 . 1 . . . . . 56 Gln N . 25133 1 461 . 1 . 1 57 57 ASN H H 1 8.092 0.05 . 1 . . . . . 57 Asn HN . 25133 1 462 . 1 . 1 57 57 ASN HA H 1 4.592 0.05 . 1 . . . . . 57 Asn Ha . 25133 1 463 . 1 . 1 57 57 ASN HB2 H 1 2.715 0.05 . 2 . . . . . 57 Asn Hb . 25133 1 464 . 1 . 1 57 57 ASN HB3 H 1 2.715 0.05 . 2 . . . . . 57 Asn Hb . 25133 1 465 . 1 . 1 57 57 ASN C C 13 175.222 0.1 . 1 . . . . . 57 Asn C . 25133 1 466 . 1 . 1 57 57 ASN CA C 13 53.168 0.1 . 1 . . . . . 57 Asn Ca . 25133 1 467 . 1 . 1 57 57 ASN CB C 13 38.787 0.1 . 1 . . . . . 57 Asn Cb . 25133 1 468 . 1 . 1 57 57 ASN N N 15 124.991 0.2 . 1 . . . . . 57 Asn N . 25133 1 469 . 1 . 1 58 58 ARG H H 1 8.147 0.05 . 1 . . . . . 58 Arg HN . 25133 1 470 . 1 . 1 58 58 ARG CA C 13 56.82 0.1 . 1 . . . . . 58 Arg Ca . 25133 1 471 . 1 . 1 58 58 ARG N N 15 122.514 0.2 . 1 . . . . . 58 Arg N . 25133 1 472 . 1 . 1 59 59 ARG HA H 1 4.404 0.05 . 1 . . . . . 59 Arg Ha . 25133 1 473 . 1 . 1 59 59 ARG C C 13 180.695 0.1 . 1 . . . . . 59 Arg C . 25133 1 474 . 1 . 1 59 59 ARG CA C 13 60.171 0.1 . 1 . . . . . 59 Arg Ca . 25133 1 475 . 1 . 1 59 59 ARG CB C 13 31.025 0.1 . 1 . . . . . 59 Arg Cb . 25133 1 476 . 1 . 1 60 60 VAL H H 1 7.506 0.05 . 1 . . . . . 60 Val HN . 25133 1 477 . 1 . 1 60 60 VAL HA H 1 3.563 0.05 . 1 . . . . . 60 Val Ha . 25133 1 478 . 1 . 1 60 60 VAL HB H 1 2.229 0.05 . 1 . . . . . 60 Val Hb . 25133 1 479 . 1 . 1 60 60 VAL HG11 H 1 1.24 0.05 . 2 . . . . . 60 Val Hg . 25133 1 480 . 1 . 1 60 60 VAL HG12 H 1 1.24 0.05 . 2 . . . . . 60 Val Hg . 25133 1 481 . 1 . 1 60 60 VAL HG13 H 1 1.24 0.05 . 2 . . . . . 60 Val Hg . 25133 1 482 . 1 . 1 60 60 VAL HG21 H 1 0.96 0.05 . 2 . . . . . 60 Val Hg . 25133 1 483 . 1 . 1 60 60 VAL HG22 H 1 0.96 0.05 . 2 . . . . . 60 Val Hg . 25133 1 484 . 1 . 1 60 60 VAL HG23 H 1 0.96 0.05 . 2 . . . . . 60 Val Hg . 25133 1 485 . 1 . 1 60 60 VAL C C 13 178.018 0.1 . 1 . . . . . 60 Val C . 25133 1 486 . 1 . 1 60 60 VAL CA C 13 66.932 0.1 . 1 . . . . . 60 Val Ca . 25133 1 487 . 1 . 1 60 60 VAL CB C 13 31.462 0.1 . 1 . . . . . 60 Val Cb . 25133 1 488 . 1 . 1 60 60 VAL CG1 C 13 23.72 0.1 . 2 . . . . . 60 Val Cg . 25133 1 489 . 1 . 1 60 60 VAL CG2 C 13 20.90 0.1 . 2 . . . . . 60 Val Cg . 25133 1 490 . 1 . 1 60 60 VAL N N 15 122.338 0.2 . 1 . . . . . 60 Val N . 25133 1 491 . 1 . 1 61 61 LYS H H 1 7.447 0.05 . 1 . . . . . 61 Lys HN . 25133 1 492 . 1 . 1 61 61 LYS C C 13 178.412 0.1 . 1 . . . . . 61 Lys C . 25133 1 493 . 1 . 1 61 61 LYS CA C 13 59.663 0.1 . 1 . . . . . 61 Lys Ca . 25133 1 494 . 1 . 1 61 61 LYS CB C 13 32.26 0.1 . 1 . . . . . 61 Lys Cb . 25133 1 495 . 1 . 1 61 61 LYS N N 15 121.812 0.2 . 1 . . . . . 61 Lys N . 25133 1 496 . 1 . 1 62 62 ASP H H 1 7.301 0.05 . 1 . . . . . 62 Asp HN . 25133 1 497 . 1 . 1 62 62 ASP HA H 1 4.566 0.05 . 1 . . . . . 62 Asp Ha . 25133 1 498 . 1 . 1 62 62 ASP HB2 H 1 2.778 0.05 . 2 . . . . . 62 Asp Hb . 25133 1 499 . 1 . 1 62 62 ASP HB3 H 1 2.778 0.05 . 2 . . . . . 62 Asp Hb . 25133 1 500 . 1 . 1 62 62 ASP C C 13 178.323 0.1 . 1 . . . . . 62 Asp C . 25133 1 501 . 1 . 1 62 62 ASP CA C 13 56.642 0.1 . 1 . . . . . 62 Asp Ca . 25133 1 502 . 1 . 1 62 62 ASP CB C 13 41.037 0.1 . 1 . . . . . 62 Asp Cb . 25133 1 503 . 1 . 1 62 62 ASP N N 15 117.849 0.2 . 1 . . . . . 62 Asp N . 25133 1 504 . 1 . 1 63 63 LYS H H 1 7.745 0.05 . 1 . . . . . 63 Lys HN . 25133 1 505 . 1 . 1 63 63 LYS CA C 13 59.247 0.1 . 1 . . . . . 63 Lys Ca . 25133 1 506 . 1 . 1 63 63 LYS N N 15 120.148 0.2 . 1 . . . . . 63 Lys N . 25133 1 507 . 1 . 1 65 65 ILE H H 1 7.90 0.05 . 1 . . . . . 65 Ile H . 25133 1 508 . 1 . 1 65 65 ILE HA H 1 3.92 0.05 . 1 . . . . . 65 Ile Ha . 25133 1 509 . 1 . 1 65 65 ILE HB H 1 2.05 0.05 . 1 . . . . . 65 Ile Hb . 25133 1 510 . 1 . 1 65 65 ILE HG21 H 1 0.95 0.05 . 1 . . . . . 65 Ile Hg . 25133 1 511 . 1 . 1 65 65 ILE HG22 H 1 0.95 0.05 . 1 . . . . . 65 Ile Hg . 25133 1 512 . 1 . 1 65 65 ILE HG23 H 1 0.95 0.05 . 1 . . . . . 65 Ile Hg . 25133 1 513 . 1 . 1 65 65 ILE HD11 H 1 0.9 0.05 . 1 . . . . . 65 Ile Hd . 25133 1 514 . 1 . 1 65 65 ILE HD12 H 1 0.9 0.05 . 1 . . . . . 65 Ile Hd . 25133 1 515 . 1 . 1 65 65 ILE HD13 H 1 0.9 0.05 . 1 . . . . . 65 Ile Hd . 25133 1 516 . 1 . 1 65 65 ILE C C 13 177.985 0.1 . 1 . . . . . 65 Ile C . 25133 1 517 . 1 . 1 65 65 ILE CA C 13 63.888 0.1 . 1 . . . . . 65 Ile Ca . 25133 1 518 . 1 . 1 65 65 ILE CB C 13 38.146 0.1 . 1 . . . . . 65 Ile Cb . 25133 1 519 . 1 . 1 65 65 ILE CG2 C 13 17.28 0.1 . 1 . . . . . 65 Ile Cg . 25133 1 520 . 1 . 1 65 65 ILE CD1 C 13 13.34 0.1 . 1 . . . . . 65 Ile Cd . 25133 1 521 . 1 . 1 66 66 VAL H H 1 7.869 0.05 . 1 . . . . . 66 Val HN . 25133 1 522 . 1 . 1 66 66 VAL HA H 1 3.893 0.05 . 1 . . . . . 66 Val Ha . 25133 1 523 . 1 . 1 66 66 VAL HB H 1 2.148 0.05 . 1 . . . . . 66 Val Hb . 25133 1 524 . 1 . 1 66 66 VAL HG11 H 1 1.02 0.05 . 2 . . . . . 66 Val Hg . 25133 1 525 . 1 . 1 66 66 VAL HG12 H 1 1.02 0.05 . 2 . . . . . 66 Val Hg . 25133 1 526 . 1 . 1 66 66 VAL HG13 H 1 1.02 0.05 . 2 . . . . . 66 Val Hg . 25133 1 527 . 1 . 1 66 66 VAL HG21 H 1 1.09 0.05 . 2 . . . . . 66 Val Hg . 25133 1 528 . 1 . 1 66 66 VAL HG22 H 1 1.09 0.05 . 2 . . . . . 66 Val Hg . 25133 1 529 . 1 . 1 66 66 VAL HG23 H 1 1.09 0.05 . 2 . . . . . 66 Val Hg . 25133 1 530 . 1 . 1 66 66 VAL C C 13 177.804 0.1 . 1 . . . . . 66 Val C . 25133 1 531 . 1 . 1 66 66 VAL CA C 13 64.661 0.1 . 1 . . . . . 66 Val Ca . 25133 1 532 . 1 . 1 66 66 VAL CB C 13 31.835 0.1 . 1 . . . . . 66 Val Cb . 25133 1 533 . 1 . 1 66 66 VAL CG1 C 13 20.79 0.1 . 2 . . . . . 66 Val Cg . 25133 1 534 . 1 . 1 66 66 VAL CG2 C 13 20.79 0.1 . 2 . . . . . 66 Val Cg . 25133 1 535 . 1 . 1 66 66 VAL N N 15 120.283 0.2 . 1 . . . . . 66 Val N . 25133 1 536 . 1 . 1 67 67 SER H H 1 7.994 0.05 . 1 . . . . . 67 Ser HN . 25133 1 537 . 1 . 1 67 67 SER HA H 1 4.292 0.05 . 1 . . . . . 67 Ser Ha . 25133 1 538 . 1 . 1 67 67 SER HB2 H 1 3.97 0.05 . 2 . . . . . 67 Ser Hb . 25133 1 539 . 1 . 1 67 67 SER HB3 H 1 3.97 0.05 . 2 . . . . . 67 Ser Hb . 25133 1 540 . 1 . 1 67 67 SER C C 13 175.247 0.1 . 1 . . . . . 67 Ser C . 25133 1 541 . 1 . 1 67 67 SER CA C 13 60.18 0.1 . 1 . . . . . 67 Ser Ca . 25133 1 542 . 1 . 1 67 67 SER CB C 13 63.258 0.1 . 1 . . . . . 67 Ser Cb . 25133 1 543 . 1 . 1 67 67 SER N N 15 116.967 0.2 . 1 . . . . . 67 Ser N . 25133 1 544 . 1 . 1 68 68 LYS H H 1 7.773 0.05 . 1 . . . . . 68 Lys HN . 25133 1 545 . 1 . 1 68 68 LYS HA H 1 4.175 0.05 . 1 . . . . . 68 Lys Ha . 25133 1 546 . 1 . 1 68 68 LYS HB2 H 1 1.755 0.05 . 2 . . . . . 68 Lys Hb . 25133 1 547 . 1 . 1 68 68 LYS HB3 H 1 1.755 0.05 . 2 . . . . . 68 Lys Hb . 25133 1 548 . 1 . 1 68 68 LYS C C 13 176.978 0.1 . 1 . . . . . 68 Lys C . 25133 1 549 . 1 . 1 68 68 LYS CA C 13 57.055 0.1 . 1 . . . . . 68 Lys Ca . 25133 1 550 . 1 . 1 68 68 LYS CB C 13 32.701 0.1 . 1 . . . . . 68 Lys Cb . 25133 1 551 . 1 . 1 68 68 LYS N N 15 122.044 0.2 . 1 . . . . . 68 Lys N . 25133 1 552 . 1 . 1 69 69 LEU H H 1 7.971 0.05 . 1 . . . . . 69 Leu HN . 25133 1 553 . 1 . 1 69 69 LEU HA H 1 4.3 0.05 . 1 . . . . . 69 Leu Ha . 25133 1 554 . 1 . 1 69 69 LEU HD11 H 1 0.83 0.05 . 1 . . . . . 69 Leu Hd . 25133 1 555 . 1 . 1 69 69 LEU HD12 H 1 0.83 0.05 . 1 . . . . . 69 Leu Hd . 25133 1 556 . 1 . 1 69 69 LEU HD13 H 1 0.83 0.05 . 1 . . . . . 69 Leu Hd . 25133 1 557 . 1 . 1 69 69 LEU HD21 H 1 0.83 0.05 . 1 . . . . . 69 Leu Hd . 25133 1 558 . 1 . 1 69 69 LEU HD22 H 1 0.83 0.05 . 1 . . . . . 69 Leu Hd . 25133 1 559 . 1 . 1 69 69 LEU HD23 H 1 0.83 0.05 . 1 . . . . . 69 Leu Hd . 25133 1 560 . 1 . 1 69 69 LEU C C 13 177.733 0.1 . 1 . . . . . 69 Leu C . 25133 1 561 . 1 . 1 69 69 LEU CA C 13 55.931 0.1 . 1 . . . . . 69 Leu Ca . 25133 1 562 . 1 . 1 69 69 LEU CB C 13 42.083 0.1 . 1 . . . . . 69 Leu Cb . 25133 1 563 . 1 . 1 69 69 LEU CD1 C 13 23.50 0.1 . 1 . . . . . 69 Leu Cd . 25133 1 564 . 1 . 1 69 69 LEU CD2 C 13 23.50 0.1 . 1 . . . . . 69 Leu Cd . 25133 1 565 . 1 . 1 69 69 LEU N N 15 122.488 0.2 . 1 . . . . . 69 Leu N . 25133 1 566 . 1 . 1 70 70 LYS H H 1 8.067 0.05 . 1 . . . . . 70 Lys HN . 25133 1 567 . 1 . 1 70 70 LYS HA H 1 4.196 0.05 . 1 . . . . . 70 Lys Ha . 25133 1 568 . 1 . 1 70 70 LYS HB2 H 1 1.766 0.05 . 2 . . . . . 70 Lys Hb . 25133 1 569 . 1 . 1 70 70 LYS HB3 H 1 1.766 0.05 . 2 . . . . . 70 Lys Hb . 25133 1 570 . 1 . 1 70 70 LYS CA C 13 56.988 0.1 . 1 . . . . . 70 Lys Ca . 25133 1 571 . 1 . 1 70 70 LYS CB C 13 32.708 0.1 . 1 . . . . . 70 Lys Cb . 25133 1 572 . 1 . 1 70 70 LYS N N 15 121.499 0.2 . 1 . . . . . 70 Lys N . 25133 1 573 . 1 . 1 71 71 ASP H H 1 8.192 0.05 . 1 . . . . . 71 Asp HN . 25133 1 574 . 1 . 1 71 71 ASP HA H 1 4.616 0.05 . 1 . . . . . 71 Asp Ha . 25133 1 575 . 1 . 1 71 71 ASP HB2 H 1 2.631 0.05 . 2 . . . . . 71 Asp Hb . 25133 1 576 . 1 . 1 71 71 ASP HB3 H 1 2.631 0.05 . 2 . . . . . 71 Asp Hb . 25133 1 577 . 1 . 1 71 71 ASP C C 13 176.272 0.1 . 1 . . . . . 71 Asp C . 25133 1 578 . 1 . 1 71 71 ASP CA C 13 54.59 0.1 . 1 . . . . . 71 Asp Ca . 25133 1 579 . 1 . 1 71 71 ASP CB C 13 41.126 0.1 . 1 . . . . . 71 Asp Cb . 25133 1 580 . 1 . 1 71 71 ASP N N 15 120.942 0.2 . 1 . . . . . 71 Asp N . 25133 1 581 . 1 . 1 72 72 THR H H 1 7.939 0.05 . 1 . . . . . 72 Thr HN . 25133 1 582 . 1 . 1 72 72 THR HA H 1 4.40 0.05 . 1 . . . . . 72 Thr Ha . 25133 1 583 . 1 . 1 72 72 THR HG21 H 1 1.21 0.05 . 1 . . . . . 72 Thr Hg . 25133 1 584 . 1 . 1 72 72 THR HG22 H 1 1.21 0.05 . 1 . . . . . 72 Thr Hg . 25133 1 585 . 1 . 1 72 72 THR HG23 H 1 1.21 0.05 . 1 . . . . . 72 Thr Hg . 25133 1 586 . 1 . 1 72 72 THR C C 13 174.37 0.1 . 1 . . . . . 72 Thr C . 25133 1 587 . 1 . 1 72 72 THR CA C 13 61.911 0.1 . 1 . . . . . 72 Thr Ca . 25133 1 588 . 1 . 1 72 72 THR CB C 13 69.912 0.1 . 1 . . . . . 72 Thr Cb . 25133 1 589 . 1 . 1 72 72 THR CG2 C 13 21.62 0.1 . 1 . . . . . 72 Thr Cg . 25133 1 590 . 1 . 1 72 72 THR N N 15 114.279 0.2 . 1 . . . . . 72 Thr N . 25133 1 591 . 1 . 1 73 73 VAL H H 1 8.061 0.05 . 1 . . . . . 73 Val HN . 25133 1 592 . 1 . 1 73 73 VAL HA H 1 4.18 0.05 . 1 . . . . . 73 Val Ha . 25133 1 593 . 1 . 1 73 73 VAL HB H 1 2.078 0.05 . 1 . . . . . 73 Val Hb . 25133 1 594 . 1 . 1 73 73 VAL HG11 H 1 0.95 0.05 . 1 . . . . . 73 Val Hg . 25133 1 595 . 1 . 1 73 73 VAL HG12 H 1 0.95 0.05 . 1 . . . . . 73 Val Hg . 25133 1 596 . 1 . 1 73 73 VAL HG13 H 1 0.95 0.05 . 1 . . . . . 73 Val Hg . 25133 1 597 . 1 . 1 73 73 VAL HG21 H 1 0.95 0.05 . 1 . . . . . 73 Val Hg . 25133 1 598 . 1 . 1 73 73 VAL HG22 H 1 0.95 0.05 . 1 . . . . . 73 Val Hg . 25133 1 599 . 1 . 1 73 73 VAL HG23 H 1 0.95 0.05 . 1 . . . . . 73 Val Hg . 25133 1 600 . 1 . 1 73 73 VAL C C 13 175.312 0.1 . 1 . . . . . 73 Val C . 25133 1 601 . 1 . 1 73 73 VAL CA C 13 62.365 0.1 . 1 . . . . . 73 Val Ca . 25133 1 602 . 1 . 1 73 73 VAL CB C 13 32.743 0.1 . 1 . . . . . 73 Val Cb . 25133 1 603 . 1 . 1 73 73 VAL CG1 C 13 20.31 0.1 . 1 . . . . . 73 Val Cg . 25133 1 604 . 1 . 1 73 73 VAL CG2 C 13 20.31 0.1 . 1 . . . . . 73 Val Cg . 25133 1 605 . 1 . 1 73 73 VAL N N 15 122.817 0.2 . 1 . . . . . 73 Val N . 25133 1 606 . 1 . 1 74 74 SER H H 1 7.88 0.05 . 1 . . . . . 74 Ser HN . 25133 1 607 . 1 . 1 74 74 SER CA C 13 59.952 0.1 . 1 . . . . . 74 Ser Ca . 25133 1 608 . 1 . 1 74 74 SER N N 15 125.438 0.2 . 1 . . . . . 74 Ser N . 25133 1 stop_ save_