data_19814 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19814 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments Cterminal domain (residues 374-426)of mPannexin 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-24 _Entry.Accession_date 2014-02-24 _Entry.Last_release_date 2014-02-24 _Entry.Original_release_date 2014-02-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Gaelle Spagnol . . . . 19814 2 Paul Sorgen . L. . . 19814 3 David Spray . C. . . 19814 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19814 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 231 19814 '15N chemical shifts' 54 19814 '1H chemical shifts' 364 19814 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 . . 2019-07-12 . original BMRB . 19814 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19814 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24751934 _Citation.Full_citation . _Citation.Title ; Structural order in Pannexin 1 cytoplasmic domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Channels (Austin)' _Citation.Journal_name_full 'Channels (Austin, Tex.)' _Citation.Journal_volume 8 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1933-6969 _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 157 _Citation.Page_last 166 _Citation.Year 2014 _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 Gaelle Spagnol . . . . 19814 1 2 Paul Sorgen . L. . . 19814 1 3 David Spray . C. . . 19814 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ATP 19814 1 Caspase-3 19814 1 'Circular Dichroism' 19814 1 'Cytoplasmic Domains' 19814 1 NMR 19814 1 Panx1 19814 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19814 _Assembly.ID 1 _Assembly.Name mPanx1CT(374-426) _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 6217.8 _Assembly.Enzyme_commission_number . _Assembly.Details 'mPanx1 C-terminal domain, residues 374-426' _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 'mPanx1CT(374-426), 1' 1 $mPanx1CT(374-426) A . yes native no no . . . 19814 1 2 'mPanx1CT(374-426), 2' 1 $mPanx1CT(374-426) A . yes native no no . . . 19814 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Cytosolic domain of mPanx1 channel, involved in regulation of the channel opening and closure' 19814 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mPanx1CT(374-426) _Entity.Sf_category entity _Entity.Sf_framecode mPanx1CT(374-426) _Entity.Entry_ID 19814 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mPanx1CT(374-426) _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 ; GPLGSMDIIDGKIPTSLQTK GEDQGSQRVEFKDLDLSSEA AANNGEKNSRQRLLNPSC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 represent a non-native cloning linker' _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'mPanx1 C-terminal domain, residues 374-426' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6217.8 _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 'Cytosolic domain of mPanx1 channel involved in regulation of the channel opening and closure' 19814 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 . GLY . 19814 1 2 . PRO . 19814 1 3 . LEU . 19814 1 4 . GLY . 19814 1 5 . SER . 19814 1 6 . MET . 19814 1 7 . ASP . 19814 1 8 . ILE . 19814 1 9 . ILE . 19814 1 10 . ASP . 19814 1 11 . GLY . 19814 1 12 . LYS . 19814 1 13 . ILE . 19814 1 14 . PRO . 19814 1 15 . THR . 19814 1 16 . SER . 19814 1 17 . LEU . 19814 1 18 . GLN . 19814 1 19 . THR . 19814 1 20 . LYS . 19814 1 21 . GLY . 19814 1 22 . GLU . 19814 1 23 . ASP . 19814 1 24 . GLN . 19814 1 25 . GLY . 19814 1 26 . SER . 19814 1 27 . GLN . 19814 1 28 . ARG . 19814 1 29 . VAL . 19814 1 30 . GLU . 19814 1 31 . PHE . 19814 1 32 . LYS . 19814 1 33 . ASP . 19814 1 34 . LEU . 19814 1 35 . ASP . 19814 1 36 . LEU . 19814 1 37 . SER . 19814 1 38 . SER . 19814 1 39 . GLU . 19814 1 40 . ALA . 19814 1 41 . ALA . 19814 1 42 . ALA . 19814 1 43 . ASN . 19814 1 44 . ASN . 19814 1 45 . GLY . 19814 1 46 . GLU . 19814 1 47 . LYS . 19814 1 48 . ASN . 19814 1 49 . SER . 19814 1 50 . ARG . 19814 1 51 . GLN . 19814 1 52 . ARG . 19814 1 53 . LEU . 19814 1 54 . LEU . 19814 1 55 . ASN . 19814 1 56 . PRO . 19814 1 57 . SER . 19814 1 58 . CYS . 19814 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 19814 1 . PRO 2 2 19814 1 . LEU 3 3 19814 1 . GLY 4 4 19814 1 . SER 5 5 19814 1 . MET 6 6 19814 1 . ASP 7 7 19814 1 . ILE 8 8 19814 1 . ILE 9 9 19814 1 . ASP 10 10 19814 1 . GLY 11 11 19814 1 . LYS 12 12 19814 1 . ILE 13 13 19814 1 . PRO 14 14 19814 1 . THR 15 15 19814 1 . SER 16 16 19814 1 . LEU 17 17 19814 1 . GLN 18 18 19814 1 . THR 19 19 19814 1 . LYS 20 20 19814 1 . GLY 21 21 19814 1 . GLU 22 22 19814 1 . ASP 23 23 19814 1 . GLN 24 24 19814 1 . GLY 25 25 19814 1 . SER 26 26 19814 1 . GLN 27 27 19814 1 . ARG 28 28 19814 1 . VAL 29 29 19814 1 . GLU 30 30 19814 1 . PHE 31 31 19814 1 . LYS 32 32 19814 1 . ASP 33 33 19814 1 . LEU 34 34 19814 1 . ASP 35 35 19814 1 . LEU 36 36 19814 1 . SER 37 37 19814 1 . SER 38 38 19814 1 . GLU 39 39 19814 1 . ALA 40 40 19814 1 . ALA 41 41 19814 1 . ALA 42 42 19814 1 . ASN 43 43 19814 1 . ASN 44 44 19814 1 . GLY 45 45 19814 1 . GLU 46 46 19814 1 . LYS 47 47 19814 1 . ASN 48 48 19814 1 . SER 49 49 19814 1 . ARG 50 50 19814 1 . GLN 51 51 19814 1 . ARG 52 52 19814 1 . LEU 53 53 19814 1 . LEU 54 54 19814 1 . ASN 55 55 19814 1 . PRO 56 56 19814 1 . SER 57 57 19814 1 . CYS 58 58 19814 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 19814 _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 $mPanx1CT(374-426) . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . Panx1 . 19814 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 19814 _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 $mPanx1CT(374-426) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pGEX-6-p2 . . 'GST tag' 19814 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19814 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1x PBS, pH 7.4' _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 mPanx1CT(374-426) '[U-98% 13C; U-98% 15N]' . . 1 $mPanx1CT(374-426) . . 3 . . mM . . . . 19814 1 2 'potassium phosphate' 'natural abundance' . . . . . . 11.9 . . mM . . . . 19814 1 3 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 19814 1 4 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 19814 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19814 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19814 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19814 1 8 PBS 'natural abundance' . . . . . . 1 . . X . . . . 19814 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 19814 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 137 . mM 19814 1 pH 7.4 . pH 19814 1 pressure 1 . atm 19814 1 temperature 273 . K 19814 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19814 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version 5.2.2.01 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19814 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19814 1 'peak picking' 19814 1 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 19814 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'fitted with a cryo-probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19814 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'fitted with a cryo-probe' . . 19814 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 19814 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19814 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19814 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19814 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19814 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19814 1 6 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19814 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19814 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19814 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19814 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19814 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19814 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19814 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 19814 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0 . indirect 0.251449530 . . . . . 19814 1 H 1 water protons . . . . ppm 0 internal direct 1 . . . . . 19814 1 N 15 water protons . . . . ppm 0 . indirect 0.101329118 . . . . . 19814 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 19814 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' 1 $sample_1 . 19814 1 2 '3D HNCO' 1 $sample_1 . 19814 1 3 '3D HNCACB' 1 $sample_1 . 19814 1 4 '3D CBCA(CO)NH' 1 $sample_1 . 19814 1 5 '3D HBHA(CO)NH' 1 $sample_1 . 19814 1 6 '3D HNCACO' 1 $sample_1 . 19814 1 7 '3D C(CO)NH' 1 $sample_1 . 19814 1 8 '3D H(CCO)NH' 1 $sample_1 . 19814 1 9 '3D HCCH-TOCSY' 1 $sample_1 . 19814 1 10 '3D 1H-13C NOESY aliphatic' 1 $sample_1 . 19814 1 11 '3D 1H-15N NOESY' 1 $sample_1 . 19814 1 12 '3D 1H-15N TOCSY' 1 $sample_1 . 19814 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 19814 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.450 0.500 . 1 . . . . . 2 PRO HA . 19814 1 2 . 1 1 2 2 PRO HB2 H 1 2.294 0.500 . 2 . . . . . 2 PRO HB1 . 19814 1 3 . 1 1 2 2 PRO HB3 H 1 1.926 0.500 . 2 . . . . . 2 PRO HB2 . 19814 1 4 . 1 1 2 2 PRO HG2 H 1 1.918 0.500 . 2 . . . . . 2 PRO HG1 . 19814 1 5 . 1 1 2 2 PRO HG3 H 1 1.918 0.500 . 2 . . . . . 2 PRO HG2 . 19814 1 6 . 1 1 2 2 PRO HD2 H 1 3.557 0.500 . 2 . . . . . 2 PRO HD1 . 19814 1 7 . 1 1 2 2 PRO HD3 H 1 3.557 0.500 . 2 . . . . . 2 PRO HD2 . 19814 1 8 . 1 1 2 2 PRO C C 13 177.109 0.300 . 1 . . . . . 2 PRO C . 19814 1 9 . 1 1 2 2 PRO CA C 13 63.222 0.300 . 1 . . . . . 2 PRO CA . 19814 1 10 . 1 1 2 2 PRO CB C 13 31.948 0.300 . 1 . . . . . 2 PRO CB . 19814 1 11 . 1 1 2 2 PRO CG C 13 26.829 0.300 . 1 . . . . . 2 PRO CG . 19814 1 12 . 1 1 2 2 PRO CD C 13 49.516 0.300 . 1 . . . . . 2 PRO CD . 19814 1 13 . 1 1 3 3 LEU H H 1 8.681 0.500 . 1 . . . . . 3 LEU HN . 19814 1 14 . 1 1 3 3 LEU HA H 1 4.313 0.500 . 1 . . . . . 3 LEU HA . 19814 1 15 . 1 1 3 3 LEU HB2 H 1 1.593 0.500 . 2 . . . . . 3 LEU HB1 . 19814 1 16 . 1 1 3 3 LEU HB3 H 1 1.593 0.500 . 2 . . . . . 3 LEU HB2 . 19814 1 17 . 1 1 3 3 LEU HG H 1 1.593 0.500 . 1 . . . . . 3 LEU HG . 19814 1 18 . 1 1 3 3 LEU HD11 H 1 0.896 0.500 . 2 . . . . . 3 LEU HD11 . 19814 1 19 . 1 1 3 3 LEU HD12 H 1 0.896 0.500 . 2 . . . . . 3 LEU HD11 . 19814 1 20 . 1 1 3 3 LEU HD13 H 1 0.896 0.500 . 2 . . . . . 3 LEU HD11 . 19814 1 21 . 1 1 3 3 LEU HD21 H 1 0.828 0.500 . 2 . . . . . 3 LEU HD21 . 19814 1 22 . 1 1 3 3 LEU HD22 H 1 0.828 0.500 . 2 . . . . . 3 LEU HD21 . 19814 1 23 . 1 1 3 3 LEU HD23 H 1 0.828 0.500 . 2 . . . . . 3 LEU HD21 . 19814 1 24 . 1 1 3 3 LEU C C 13 177.887 0.300 . 1 . . . . . 3 LEU C . 19814 1 25 . 1 1 3 3 LEU CA C 13 55.654 0.300 . 1 . . . . . 3 LEU CA . 19814 1 26 . 1 1 3 3 LEU CB C 13 41.890 0.300 . 1 . . . . . 3 LEU CB . 19814 1 27 . 1 1 3 3 LEU CG C 13 26.550 0.300 . 1 . . . . . 3 LEU CG . 19814 1 28 . 1 1 3 3 LEU CD1 C 13 24.355 0.300 . 1 . . . . . 3 LEU CD1 . 19814 1 29 . 1 1 3 3 LEU CD2 C 13 23.072 0.300 . 1 . . . . . 3 LEU CD2 . 19814 1 30 . 1 1 3 3 LEU N N 15 122.641 0.000 . 1 . . . . . 3 LEU N . 19814 1 31 . 1 1 4 4 GLY H H 1 8.561 0.500 . 1 . . . . . 4 GLY HN . 19814 1 32 . 1 1 4 4 GLY HA2 H 1 4.022 0.500 . 2 . . . . . 4 GLY HA1 . 19814 1 33 . 1 1 4 4 GLY HA3 H 1 4.022 0.500 . 2 . . . . . 4 GLY HA2 . 19814 1 34 . 1 1 4 4 GLY C C 13 174.361 0.300 . 1 . . . . . 4 GLY C . 19814 1 35 . 1 1 4 4 GLY CA C 13 45.189 0.300 . 1 . . . . . 4 GLY CA . 19814 1 36 . 1 1 4 4 GLY N N 15 110.389 0.000 . 1 . . . . . 4 GLY N . 19814 1 37 . 1 1 5 5 SER H H 1 8.262 0.500 . 1 . . . . . 5 SER HN . 19814 1 38 . 1 1 5 5 SER HA H 1 4.382 0.500 . 1 . . . . . 5 SER HA . 19814 1 39 . 1 1 5 5 SER HB2 H 1 3.847 0.500 . 2 . . . . . 5 SER HB1 . 19814 1 40 . 1 1 5 5 SER HB3 H 1 3.847 0.500 . 2 . . . . . 5 SER HB2 . 19814 1 41 . 1 1 5 5 SER C C 13 174.375 0.300 . 1 . . . . . 5 SER C . 19814 1 42 . 1 1 5 5 SER CA C 13 58.709 0.300 . 1 . . . . . 5 SER CA . 19814 1 43 . 1 1 5 5 SER CB C 13 63.825 0.300 . 1 . . . . . 5 SER CB . 19814 1 44 . 1 1 5 5 SER N N 15 115.787 0.000 . 1 . . . . . 5 SER N . 19814 1 45 . 1 1 6 6 MET H H 1 8.555 0.500 . 1 . . . . . 6 MET HN . 19814 1 46 . 1 1 6 6 MET HA H 1 4.516 0.500 . 1 . . . . . 6 MET HA . 19814 1 47 . 1 1 6 6 MET HB2 H 1 2.099 0.500 . 2 . . . . . 6 MET HB1 . 19814 1 48 . 1 1 6 6 MET HB3 H 1 1.972 0.500 . 2 . . . . . 6 MET HB2 . 19814 1 49 . 1 1 6 6 MET HG2 H 1 2.595 0.500 . 2 . . . . . 6 MET HG1 . 19814 1 50 . 1 1 6 6 MET HG3 H 1 2.500 0.500 . 2 . . . . . 6 MET HG2 . 19814 1 51 . 1 1 6 6 MET HE1 H 1 0.000 0.500 . 1 . . . . . 6 MET HE1 . 19814 1 52 . 1 1 6 6 MET HE2 H 1 0.000 0.500 . 1 . . . . . 6 MET HE1 . 19814 1 53 . 1 1 6 6 MET HE3 H 1 0.000 0.500 . 1 . . . . . 6 MET HE1 . 19814 1 54 . 1 1 6 6 MET C C 13 175.910 0.300 . 1 . . . . . 6 MET C . 19814 1 55 . 1 1 6 6 MET CA C 13 55.237 0.300 . 1 . . . . . 6 MET CA . 19814 1 56 . 1 1 6 6 MET CB C 13 32.454 0.300 . 1 . . . . . 6 MET CB . 19814 1 57 . 1 1 6 6 MET CG C 13 32.050 0.300 . 1 . . . . . 6 MET CG . 19814 1 58 . 1 1 6 6 MET CE C 13 0.000 0.300 . 1 . . . . . 6 MET CE . 19814 1 59 . 1 1 6 6 MET N N 15 121.926 0.000 . 1 . . . . . 6 MET N . 19814 1 60 . 1 1 7 7 ASP H H 1 8.300 0.500 . 1 . . . . . 7 ASP HN . 19814 1 61 . 1 1 7 7 ASP HA H 1 4.536 0.500 . 1 . . . . . 7 ASP HA . 19814 1 62 . 1 1 7 7 ASP HB2 H 1 2.530 0.500 . 2 . . . . . 7 ASP HB1 . 19814 1 63 . 1 1 7 7 ASP HB3 H 1 2.530 0.500 . 2 . . . . . 7 ASP HB2 . 19814 1 64 . 1 1 7 7 ASP C C 13 175.868 0.300 . 1 . . . . . 7 ASP C . 19814 1 65 . 1 1 7 7 ASP CA C 13 54.462 0.300 . 1 . . . . . 7 ASP CA . 19814 1 66 . 1 1 7 7 ASP CB C 13 41.179 0.300 . 1 . . . . . 7 ASP CB . 19814 1 67 . 1 1 7 7 ASP N N 15 121.641 0.000 . 1 . . . . . 7 ASP N . 19814 1 68 . 1 1 8 8 ILE H H 1 8.134 0.500 . 1 . . . . . 8 ILE HN . 19814 1 69 . 1 1 8 8 ILE HA H 1 4.115 0.500 . 1 . . . . . 8 ILE HA . 19814 1 70 . 1 1 8 8 ILE HB H 1 1.817 0.500 . 1 . . . . . 8 ILE HB . 19814 1 71 . 1 1 8 8 ILE HG12 H 1 1.455 0.500 . 1 . . . . . 8 ILE HG11 . 19814 1 72 . 1 1 8 8 ILE HG13 H 1 1.148 0.500 . 1 . . . . . 8 ILE HG12 . 19814 1 73 . 1 1 8 8 ILE HG21 H 1 0.818 0.500 . 1 . . . . . 8 ILE HG21 . 19814 1 74 . 1 1 8 8 ILE HG22 H 1 0.818 0.500 . 1 . . . . . 8 ILE HG21 . 19814 1 75 . 1 1 8 8 ILE HG23 H 1 0.818 0.500 . 1 . . . . . 8 ILE HG21 . 19814 1 76 . 1 1 8 8 ILE HD11 H 1 0.830 0.500 . 1 . . . . . 8 ILE HD11 . 19814 1 77 . 1 1 8 8 ILE HD12 H 1 0.830 0.500 . 1 . . . . . 8 ILE HD11 . 19814 1 78 . 1 1 8 8 ILE HD13 H 1 0.830 0.500 . 1 . . . . . 8 ILE HD11 . 19814 1 79 . 1 1 8 8 ILE C C 13 176.324 0.300 . 1 . . . . . 8 ILE C . 19814 1 80 . 1 1 8 8 ILE CA C 13 61.239 0.300 . 1 . . . . . 8 ILE CA . 19814 1 81 . 1 1 8 8 ILE CB C 13 38.346 0.300 . 1 . . . . . 8 ILE CB . 19814 1 82 . 1 1 8 8 ILE CG1 C 13 26.907 0.300 . 1 . . . . . 8 ILE CG1 . 19814 1 83 . 1 1 8 8 ILE CG2 C 13 16.879 0.300 . 1 . . . . . 8 ILE CG2 . 19814 1 84 . 1 1 8 8 ILE CD1 C 13 12.327 0.300 . 1 . . . . . 8 ILE CD1 . 19814 1 85 . 1 1 8 8 ILE N N 15 121.308 0.000 . 1 . . . . . 8 ILE N . 19814 1 86 . 1 1 9 9 ILE H H 1 8.382 0.500 . 1 . . . . . 9 ILE HN . 19814 1 87 . 1 1 9 9 ILE HA H 1 4.143 0.500 . 1 . . . . . 9 ILE HA . 19814 1 88 . 1 1 9 9 ILE HB H 1 1.827 0.500 . 1 . . . . . 9 ILE HB . 19814 1 89 . 1 1 9 9 ILE HG12 H 1 1.440 0.500 . 1 . . . . . 9 ILE HG11 . 19814 1 90 . 1 1 9 9 ILE HG13 H 1 1.147 0.500 . 1 . . . . . 9 ILE HG12 . 19814 1 91 . 1 1 9 9 ILE HG21 H 1 0.845 0.500 . 1 . . . . . 9 ILE HG21 . 19814 1 92 . 1 1 9 9 ILE HG22 H 1 0.845 0.500 . 1 . . . . . 9 ILE HG21 . 19814 1 93 . 1 1 9 9 ILE HG23 H 1 0.845 0.500 . 1 . . . . . 9 ILE HG21 . 19814 1 94 . 1 1 9 9 ILE HD11 H 1 0.830 0.500 . 1 . . . . . 9 ILE HD11 . 19814 1 95 . 1 1 9 9 ILE HD12 H 1 0.830 0.500 . 1 . . . . . 9 ILE HD11 . 19814 1 96 . 1 1 9 9 ILE HD13 H 1 0.830 0.500 . 1 . . . . . 9 ILE HD11 . 19814 1 97 . 1 1 9 9 ILE C C 13 176.127 0.300 . 1 . . . . . 9 ILE C . 19814 1 98 . 1 1 9 9 ILE CA C 13 60.955 0.300 . 1 . . . . . 9 ILE CA . 19814 1 99 . 1 1 9 9 ILE CB C 13 38.615 0.300 . 1 . . . . . 9 ILE CB . 19814 1 100 . 1 1 9 9 ILE CG1 C 13 26.918 0.300 . 1 . . . . . 9 ILE CG1 . 19814 1 101 . 1 1 9 9 ILE CG2 C 13 16.827 0.300 . 1 . . . . . 9 ILE CG2 . 19814 1 102 . 1 1 9 9 ILE CD1 C 13 11.951 0.300 . 1 . . . . . 9 ILE CD1 . 19814 1 103 . 1 1 9 9 ILE N N 15 126.141 0.000 . 1 . . . . . 9 ILE N . 19814 1 104 . 1 1 10 10 ASP H H 1 8.579 0.500 . 1 . . . . . 10 ASP HN . 19814 1 105 . 1 1 10 10 ASP HA H 1 4.521 0.500 . 1 . . . . . 10 ASP HA . 19814 1 106 . 1 1 10 10 ASP HB2 H 1 2.659 0.500 . 2 . . . . . 10 ASP HB1 . 19814 1 107 . 1 1 10 10 ASP HB3 H 1 2.659 0.500 . 2 . . . . . 10 ASP HB2 . 19814 1 108 . 1 1 10 10 ASP C C 13 175.917 0.300 . 1 . . . . . 10 ASP C . 19814 1 109 . 1 1 10 10 ASP CA C 13 54.447 0.300 . 1 . . . . . 10 ASP CA . 19814 1 110 . 1 1 10 10 ASP CB C 13 40.839 0.300 . 1 . . . . . 10 ASP CB . 19814 1 111 . 1 1 10 10 ASP N N 15 125.167 0.000 . 1 . . . . . 10 ASP N . 19814 1 112 . 1 1 11 11 GLY H H 1 8.405 0.500 . 1 . . . . . 11 GLY HN . 19814 1 113 . 1 1 11 11 GLY HA2 H 1 3.820 0.500 . 2 . . . . . 11 GLY HA1 . 19814 1 114 . 1 1 11 11 GLY HA3 H 1 3.820 0.500 . 2 . . . . . 11 GLY HA2 . 19814 1 115 . 1 1 11 11 GLY C C 13 174.171 0.300 . 1 . . . . . 11 GLY C . 19814 1 116 . 1 1 11 11 GLY CA C 13 45.591 0.300 . 1 . . . . . 11 GLY CA . 19814 1 117 . 1 1 11 11 GLY N N 15 109.254 0.000 . 1 . . . . . 11 GLY N . 19814 1 118 . 1 1 12 12 LYS H H 1 8.132 0.500 . 1 . . . . . 12 LYS HN . 19814 1 119 . 1 1 12 12 LYS HA H 1 4.295 0.500 . 1 . . . . . 12 LYS HA . 19814 1 120 . 1 1 12 12 LYS HB2 H 1 1.760 0.500 . 2 . . . . . 12 LYS HB1 . 19814 1 121 . 1 1 12 12 LYS HB3 H 1 1.760 0.500 . 2 . . . . . 12 LYS HB2 . 19814 1 122 . 1 1 12 12 LYS HG2 H 1 1.420 0.500 . 2 . . . . . 12 LYS HG1 . 19814 1 123 . 1 1 12 12 LYS HG3 H 1 1.420 0.500 . 2 . . . . . 12 LYS HG2 . 19814 1 124 . 1 1 12 12 LYS HD2 H 1 1.640 0.500 . 2 . . . . . 12 LYS HD1 . 19814 1 125 . 1 1 12 12 LYS HD3 H 1 1.640 0.500 . 2 . . . . . 12 LYS HD2 . 19814 1 126 . 1 1 12 12 LYS HE2 H 1 3.031 0.500 . 2 . . . . . 12 LYS HE1 . 19814 1 127 . 1 1 12 12 LYS HE3 H 1 2.922 0.500 . 2 . . . . . 12 LYS HE2 . 19814 1 128 . 1 1 12 12 LYS C C 13 176.329 0.300 . 1 . . . . . 12 LYS C . 19814 1 129 . 1 1 12 12 LYS CA C 13 56.119 0.300 . 1 . . . . . 12 LYS CA . 19814 1 130 . 1 1 12 12 LYS CB C 13 32.780 0.300 . 1 . . . . . 12 LYS CB . 19814 1 131 . 1 1 12 12 LYS CG C 13 24.354 0.300 . 1 . . . . . 12 LYS CG . 19814 1 132 . 1 1 12 12 LYS CD C 13 28.744 0.300 . 1 . . . . . 12 LYS CD . 19814 1 133 . 1 1 12 12 LYS CE C 13 41.981 0.300 . 1 . . . . . 12 LYS CE . 19814 1 134 . 1 1 12 12 LYS N N 15 120.789 0.000 . 1 . . . . . 12 LYS N . 19814 1 135 . 1 1 13 13 ILE H H 1 8.306 0.500 . 1 . . . . . 13 ILE HN . 19814 1 136 . 1 1 13 13 ILE HA H 1 4.402 0.500 . 1 . . . . . 13 ILE HA . 19814 1 137 . 1 1 13 13 ILE HB H 1 1.840 0.500 . 1 . . . . . 13 ILE HB . 19814 1 138 . 1 1 13 13 ILE HG12 H 1 1.505 0.500 . 1 . . . . . 13 ILE HG11 . 19814 1 139 . 1 1 13 13 ILE HG13 H 1 1.163 0.500 . 1 . . . . . 13 ILE HG12 . 19814 1 140 . 1 1 13 13 ILE HG21 H 1 0.934 0.500 . 1 . . . . . 13 ILE HG21 . 19814 1 141 . 1 1 13 13 ILE HG22 H 1 0.934 0.500 . 1 . . . . . 13 ILE HG21 . 19814 1 142 . 1 1 13 13 ILE HG23 H 1 0.934 0.500 . 1 . . . . . 13 ILE HG21 . 19814 1 143 . 1 1 13 13 ILE HD11 H 1 0.837 0.500 . 1 . . . . . 13 ILE HD11 . 19814 1 144 . 1 1 13 13 ILE HD12 H 1 0.837 0.500 . 1 . . . . . 13 ILE HD11 . 19814 1 145 . 1 1 13 13 ILE HD13 H 1 0.837 0.500 . 1 . . . . . 13 ILE HD11 . 19814 1 146 . 1 1 13 13 ILE C C 13 174.760 0.300 . 1 . . . . . 13 ILE C . 19814 1 147 . 1 1 13 13 ILE CA C 13 58.847 0.300 . 1 . . . . . 13 ILE CA . 19814 1 148 . 1 1 13 13 ILE CB C 13 38.189 0.300 . 1 . . . . . 13 ILE CB . 19814 1 149 . 1 1 13 13 ILE CG1 C 13 27.050 0.300 . 1 . . . . . 13 ILE CG1 . 19814 1 150 . 1 1 13 13 ILE CG2 C 13 16.550 0.300 . 1 . . . . . 13 ILE CG2 . 19814 1 151 . 1 1 13 13 ILE CD1 C 13 12.550 0.300 . 1 . . . . . 13 ILE CD1 . 19814 1 152 . 1 1 13 13 ILE N N 15 124.436 0.000 . 1 . . . . . 13 ILE N . 19814 1 153 . 1 1 14 14 PRO HA H 1 4.460 0.500 . 1 . . . . . 14 PRO HA . 19814 1 154 . 1 1 14 14 PRO HB2 H 1 2.305 0.500 . 2 . . . . . 14 PRO HB1 . 19814 1 155 . 1 1 14 14 PRO HB3 H 1 1.904 0.500 . 2 . . . . . 14 PRO HB2 . 19814 1 156 . 1 1 14 14 PRO HG2 H 1 2.305 0.500 . 2 . . . . . 14 PRO HG1 . 19814 1 157 . 1 1 14 14 PRO HG3 H 1 1.971 0.500 . 2 . . . . . 14 PRO HG2 . 19814 1 158 . 1 1 14 14 PRO HD2 H 1 3.927 0.500 . 2 . . . . . 14 PRO HD1 . 19814 1 159 . 1 1 14 14 PRO HD3 H 1 3.680 0.500 . 2 . . . . . 14 PRO HD2 . 19814 1 160 . 1 1 14 14 PRO C C 13 177.102 0.300 . 1 . . . . . 14 PRO C . 19814 1 161 . 1 1 14 14 PRO CA C 13 63.213 0.300 . 1 . . . . . 14 PRO CA . 19814 1 162 . 1 1 14 14 PRO CB C 13 32.109 0.300 . 1 . . . . . 14 PRO CB . 19814 1 163 . 1 1 14 14 PRO CG C 13 27.114 0.300 . 1 . . . . . 14 PRO CG . 19814 1 164 . 1 1 14 14 PRO CD C 13 51.329 0.300 . 1 . . . . . 14 PRO CD . 19814 1 165 . 1 1 15 15 THR H H 1 8.404 0.500 . 1 . . . . . 15 THR HN . 19814 1 166 . 1 1 15 15 THR HA H 1 4.236 0.500 . 1 . . . . . 15 THR HA . 19814 1 167 . 1 1 15 15 THR HB H 1 4.236 0.500 . 1 . . . . . 15 THR HB . 19814 1 168 . 1 1 15 15 THR HG21 H 1 1.227 0.500 . 1 . . . . . 15 THR HG21 . 19814 1 169 . 1 1 15 15 THR HG22 H 1 1.227 0.500 . 1 . . . . . 15 THR HG21 . 19814 1 170 . 1 1 15 15 THR HG23 H 1 1.227 0.500 . 1 . . . . . 15 THR HG21 . 19814 1 171 . 1 1 15 15 THR C C 13 174.955 0.300 . 1 . . . . . 15 THR C . 19814 1 172 . 1 1 15 15 THR CA C 13 62.527 0.300 . 1 . . . . . 15 THR CA . 19814 1 173 . 1 1 15 15 THR CB C 13 69.880 0.300 . 1 . . . . . 15 THR CB . 19814 1 174 . 1 1 15 15 THR CG2 C 13 21.550 0.300 . 1 . . . . . 15 THR CG2 . 19814 1 175 . 1 1 15 15 THR N N 15 115.378 0.000 . 1 . . . . . 15 THR N . 19814 1 176 . 1 1 16 16 SER H H 1 8.418 0.500 . 1 . . . . . 16 SER HN . 19814 1 177 . 1 1 16 16 SER HA H 1 4.448 0.500 . 1 . . . . . 16 SER HA . 19814 1 178 . 1 1 16 16 SER HB2 H 1 3.844 0.500 . 2 . . . . . 16 SER HB1 . 19814 1 179 . 1 1 16 16 SER HB3 H 1 3.844 0.500 . 2 . . . . . 16 SER HB2 . 19814 1 180 . 1 1 16 16 SER C C 13 174.562 0.300 . 1 . . . . . 16 SER C . 19814 1 181 . 1 1 16 16 SER CA C 13 58.286 0.300 . 1 . . . . . 16 SER CA . 19814 1 182 . 1 1 16 16 SER CB C 13 63.772 0.300 . 1 . . . . . 16 SER CB . 19814 1 183 . 1 1 16 16 SER N N 15 117.986 0.000 . 1 . . . . . 16 SER N . 19814 1 184 . 1 1 17 17 LEU H H 1 8.339 0.500 . 1 . . . . . 17 LEU HN . 19814 1 185 . 1 1 17 17 LEU HA H 1 4.320 0.500 . 1 . . . . . 17 LEU HA . 19814 1 186 . 1 1 17 17 LEU HB2 H 1 1.593 0.500 . 2 . . . . . 17 LEU HB1 . 19814 1 187 . 1 1 17 17 LEU HB3 H 1 1.593 0.500 . 2 . . . . . 17 LEU HB2 . 19814 1 188 . 1 1 17 17 LEU HG H 1 1.593 0.500 . 1 . . . . . 17 LEU HG . 19814 1 189 . 1 1 17 17 LEU HD11 H 1 0.896 0.500 . 2 . . . . . 17 LEU HD11 . 19814 1 190 . 1 1 17 17 LEU HD12 H 1 0.896 0.500 . 2 . . . . . 17 LEU HD11 . 19814 1 191 . 1 1 17 17 LEU HD13 H 1 0.896 0.500 . 2 . . . . . 17 LEU HD11 . 19814 1 192 . 1 1 17 17 LEU HD21 H 1 0.826 0.500 . 2 . . . . . 17 LEU HD21 . 19814 1 193 . 1 1 17 17 LEU HD22 H 1 0.826 0.500 . 2 . . . . . 17 LEU HD21 . 19814 1 194 . 1 1 17 17 LEU HD23 H 1 0.826 0.500 . 2 . . . . . 17 LEU HD21 . 19814 1 195 . 1 1 17 17 LEU C C 13 177.492 0.300 . 1 . . . . . 17 LEU C . 19814 1 196 . 1 1 17 17 LEU CA C 13 55.175 0.300 . 1 . . . . . 17 LEU CA . 19814 1 197 . 1 1 17 17 LEU CB C 13 42.124 0.300 . 1 . . . . . 17 LEU CB . 19814 1 198 . 1 1 17 17 LEU CG C 13 26.550 0.300 . 1 . . . . . 17 LEU CG . 19814 1 199 . 1 1 17 17 LEU CD1 C 13 24.443 0.300 . 1 . . . . . 17 LEU CD1 . 19814 1 200 . 1 1 17 17 LEU CD2 C 13 23.001 0.300 . 1 . . . . . 17 LEU CD2 . 19814 1 201 . 1 1 17 17 LEU N N 15 123.985 0.000 . 1 . . . . . 17 LEU N . 19814 1 202 . 1 1 18 18 GLN H H 1 8.358 0.500 . 1 . . . . . 18 GLN HN . 19814 1 203 . 1 1 18 18 GLN HA H 1 4.361 0.500 . 1 . . . . . 18 GLN HA . 19814 1 204 . 1 1 18 18 GLN HB2 H 1 2.090 0.500 . 2 . . . . . 18 GLN HB1 . 19814 1 205 . 1 1 18 18 GLN HB3 H 1 1.991 0.500 . 2 . . . . . 18 GLN HB2 . 19814 1 206 . 1 1 18 18 GLN HG2 H 1 2.367 0.500 . 2 . . . . . 18 GLN HG1 . 19814 1 207 . 1 1 18 18 GLN HG3 H 1 2.367 0.500 . 2 . . . . . 18 GLN HG2 . 19814 1 208 . 1 1 18 18 GLN C C 13 176.232 0.300 . 1 . . . . . 18 GLN C . 19814 1 209 . 1 1 18 18 GLN CA C 13 55.703 0.300 . 1 . . . . . 18 GLN CA . 19814 1 210 . 1 1 18 18 GLN CB C 13 29.350 0.300 . 1 . . . . . 18 GLN CB . 19814 1 211 . 1 1 18 18 GLN CG C 13 33.727 0.300 . 1 . . . . . 18 GLN CG . 19814 1 212 . 1 1 18 18 GLN N N 15 121.329 0.000 . 1 . . . . . 18 GLN N . 19814 1 213 . 1 1 19 19 THR H H 1 8.291 0.500 . 1 . . . . . 19 THR HN . 19814 1 214 . 1 1 19 19 THR HA H 1 4.277 0.500 . 1 . . . . . 19 THR HA . 19814 1 215 . 1 1 19 19 THR HB H 1 4.277 0.500 . 1 . . . . . 19 THR HB . 19814 1 216 . 1 1 19 19 THR HG21 H 1 1.170 0.500 . 1 . . . . . 19 THR HG21 . 19814 1 217 . 1 1 19 19 THR HG22 H 1 1.170 0.500 . 1 . . . . . 19 THR HG21 . 19814 1 218 . 1 1 19 19 THR HG23 H 1 1.170 0.500 . 1 . . . . . 19 THR HG21 . 19814 1 219 . 1 1 19 19 THR C C 13 174.569 0.300 . 1 . . . . . 19 THR C . 19814 1 220 . 1 1 19 19 THR CA C 13 61.936 0.300 . 1 . . . . . 19 THR CA . 19814 1 221 . 1 1 19 19 THR CB C 13 69.985 0.300 . 1 . . . . . 19 THR CB . 19814 1 222 . 1 1 19 19 THR CG2 C 13 21.500 0.300 . 1 . . . . . 19 THR CG2 . 19814 1 223 . 1 1 19 19 THR N N 15 116.291 0.000 . 1 . . . . . 19 THR N . 19814 1 224 . 1 1 20 20 LYS H H 1 8.509 0.500 . 1 . . . . . 20 LYS HN . 19814 1 225 . 1 1 20 20 LYS HA H 1 4.315 0.500 . 1 . . . . . 20 LYS HA . 19814 1 226 . 1 1 20 20 LYS HB2 H 1 1.739 0.500 . 2 . . . . . 20 LYS HB1 . 19814 1 227 . 1 1 20 20 LYS HB3 H 1 1.739 0.500 . 2 . . . . . 20 LYS HB2 . 19814 1 228 . 1 1 20 20 LYS HG2 H 1 1.408 0.500 . 2 . . . . . 20 LYS HG1 . 19814 1 229 . 1 1 20 20 LYS HG3 H 1 1.408 0.500 . 2 . . . . . 20 LYS HG2 . 19814 1 230 . 1 1 20 20 LYS HD2 H 1 1.660 0.500 . 2 . . . . . 20 LYS HD1 . 19814 1 231 . 1 1 20 20 LYS HD3 H 1 1.660 0.500 . 2 . . . . . 20 LYS HD2 . 19814 1 232 . 1 1 20 20 LYS HE2 H 1 2.960 0.500 . 2 . . . . . 20 LYS HE1 . 19814 1 233 . 1 1 20 20 LYS HE3 H 1 2.960 0.500 . 2 . . . . . 20 LYS HE2 . 19814 1 234 . 1 1 20 20 LYS C C 13 176.913 0.300 . 1 . . . . . 20 LYS C . 19814 1 235 . 1 1 20 20 LYS CA C 13 56.328 0.300 . 1 . . . . . 20 LYS CA . 19814 1 236 . 1 1 20 20 LYS CB C 13 33.021 0.300 . 1 . . . . . 20 LYS CB . 19814 1 237 . 1 1 20 20 LYS CG C 13 24.291 0.300 . 1 . . . . . 20 LYS CG . 19814 1 238 . 1 1 20 20 LYS CD C 13 28.790 0.300 . 1 . . . . . 20 LYS CD . 19814 1 239 . 1 1 20 20 LYS CE C 13 42.003 0.300 . 1 . . . . . 20 LYS CE . 19814 1 240 . 1 1 20 20 LYS N N 15 124.211 0.000 . 1 . . . . . 20 LYS N . 19814 1 241 . 1 1 21 21 GLY H H 1 8.533 0.500 . 1 . . . . . 21 GLY HN . 19814 1 242 . 1 1 21 21 GLY HA2 H 1 3.982 0.500 . 2 . . . . . 21 GLY HA1 . 19814 1 243 . 1 1 21 21 GLY HA3 H 1 3.982 0.500 . 2 . . . . . 21 GLY HA2 . 19814 1 244 . 1 1 21 21 GLY C C 13 174.179 0.300 . 1 . . . . . 21 GLY C . 19814 1 245 . 1 1 21 21 GLY CA C 13 45.070 0.300 . 1 . . . . . 21 GLY CA . 19814 1 246 . 1 1 21 21 GLY N N 15 110.669 0.000 . 1 . . . . . 21 GLY N . 19814 1 247 . 1 1 22 22 GLU H H 1 8.461 0.500 . 1 . . . . . 22 GLU HN . 19814 1 248 . 1 1 22 22 GLU HA H 1 4.247 0.500 . 1 . . . . . 22 GLU HA . 19814 1 249 . 1 1 22 22 GLU HB2 H 1 2.038 0.500 . 2 . . . . . 22 GLU HB1 . 19814 1 250 . 1 1 22 22 GLU HB3 H 1 1.890 0.500 . 2 . . . . . 22 GLU HB2 . 19814 1 251 . 1 1 22 22 GLU HG2 H 1 2.220 0.500 . 2 . . . . . 22 GLU HG1 . 19814 1 252 . 1 1 22 22 GLU HG3 H 1 2.220 0.500 . 2 . . . . . 22 GLU HG2 . 19814 1 253 . 1 1 22 22 GLU C C 13 176.520 0.300 . 1 . . . . . 22 GLU C . 19814 1 254 . 1 1 22 22 GLU CA C 13 56.369 0.300 . 1 . . . . . 22 GLU CA . 19814 1 255 . 1 1 22 22 GLU CB C 13 30.084 0.300 . 1 . . . . . 22 GLU CB . 19814 1 256 . 1 1 22 22 GLU CG C 13 36.108 0.300 . 1 . . . . . 22 GLU CG . 19814 1 257 . 1 1 22 22 GLU N N 15 120.696 0.000 . 1 . . . . . 22 GLU N . 19814 1 258 . 1 1 23 23 ASP H H 1 8.562 0.500 . 1 . . . . . 23 ASP HN . 19814 1 259 . 1 1 23 23 ASP HA H 1 4.547 0.500 . 1 . . . . . 23 ASP HA . 19814 1 260 . 1 1 23 23 ASP HB2 H 1 2.647 0.500 . 2 . . . . . 23 ASP HB1 . 19814 1 261 . 1 1 23 23 ASP HB3 H 1 2.647 0.500 . 2 . . . . . 23 ASP HB2 . 19814 1 262 . 1 1 23 23 ASP C C 13 176.520 0.300 . 1 . . . . . 23 ASP C . 19814 1 263 . 1 1 23 23 ASP CA C 13 54.403 0.300 . 1 . . . . . 23 ASP CA . 19814 1 264 . 1 1 23 23 ASP CB C 13 41.080 0.300 . 1 . . . . . 23 ASP CB . 19814 1 265 . 1 1 23 23 ASP N N 15 121.558 0.000 . 1 . . . . . 23 ASP N . 19814 1 266 . 1 1 24 24 GLN H H 1 8.552 0.500 . 1 . . . . . 24 GLN HN . 19814 1 267 . 1 1 24 24 GLN HA H 1 4.263 0.500 . 1 . . . . . 24 GLN HA . 19814 1 268 . 1 1 24 24 GLN HB2 H 1 2.160 0.500 . 2 . . . . . 24 GLN HB1 . 19814 1 269 . 1 1 24 24 GLN HB3 H 1 1.960 0.500 . 2 . . . . . 24 GLN HB2 . 19814 1 270 . 1 1 24 24 GLN HG2 H 1 2.350 0.500 . 2 . . . . . 24 GLN HG1 . 19814 1 271 . 1 1 24 24 GLN HG3 H 1 2.350 0.500 . 2 . . . . . 24 GLN HG2 . 19814 1 272 . 1 1 24 24 GLN C C 13 176.900 0.300 . 1 . . . . . 24 GLN C . 19814 1 273 . 1 1 24 24 GLN CA C 13 56.235 0.300 . 1 . . . . . 24 GLN CA . 19814 1 274 . 1 1 24 24 GLN CB C 13 28.864 0.300 . 1 . . . . . 24 GLN CB . 19814 1 275 . 1 1 24 24 GLN CG C 13 33.667 0.300 . 1 . . . . . 24 GLN CG . 19814 1 276 . 1 1 24 24 GLN N N 15 121.558 0.000 . 1 . . . . . 24 GLN N . 19814 1 277 . 1 1 25 25 GLY H H 1 8.573 0.500 . 1 . . . . . 25 GLY HN . 19814 1 278 . 1 1 25 25 GLY HA2 H 1 3.938 0.500 . 2 . . . . . 25 GLY HA1 . 19814 1 279 . 1 1 25 25 GLY HA3 H 1 3.938 0.500 . 2 . . . . . 25 GLY HA2 . 19814 1 280 . 1 1 25 25 GLY C C 13 174.560 0.300 . 1 . . . . . 25 GLY C . 19814 1 281 . 1 1 25 25 GLY CA C 13 45.189 0.300 . 1 . . . . . 25 GLY CA . 19814 1 282 . 1 1 25 25 GLY N N 15 109.735 0.000 . 1 . . . . . 25 GLY N . 19814 1 283 . 1 1 26 26 SER H H 1 8.262 0.500 . 1 . . . . . 26 SER HN . 19814 1 284 . 1 1 26 26 SER HA H 1 4.382 0.500 . 1 . . . . . 26 SER HA . 19814 1 285 . 1 1 26 26 SER HB2 H 1 3.847 0.500 . 2 . . . . . 26 SER HB1 . 19814 1 286 . 1 1 26 26 SER HB3 H 1 3.847 0.500 . 2 . . . . . 26 SER HB2 . 19814 1 287 . 1 1 26 26 SER C C 13 174.576 0.300 . 1 . . . . . 26 SER C . 19814 1 288 . 1 1 26 26 SER CA C 13 58.624 0.300 . 1 . . . . . 26 SER CA . 19814 1 289 . 1 1 26 26 SER CB C 13 63.788 0.300 . 1 . . . . . 26 SER CB . 19814 1 290 . 1 1 26 26 SER N N 15 115.787 0.000 . 1 . . . . . 26 SER N . 19814 1 291 . 1 1 27 27 GLN H H 1 8.462 0.500 . 1 . . . . . 27 GLN HN . 19814 1 292 . 1 1 27 27 GLN HA H 1 4.306 0.500 . 1 . . . . . 27 GLN HA . 19814 1 293 . 1 1 27 27 GLN HB2 H 1 2.081 0.500 . 2 . . . . . 27 GLN HB1 . 19814 1 294 . 1 1 27 27 GLN HB3 H 1 1.963 0.500 . 2 . . . . . 27 GLN HB2 . 19814 1 295 . 1 1 27 27 GLN HG2 H 1 2.349 0.500 . 2 . . . . . 27 GLN HG1 . 19814 1 296 . 1 1 27 27 GLN HG3 H 1 2.349 0.500 . 2 . . . . . 27 GLN HG2 . 19814 1 297 . 1 1 27 27 GLN C C 13 175.749 0.300 . 1 . . . . . 27 GLN C . 19814 1 298 . 1 1 27 27 GLN CA C 13 55.673 0.300 . 1 . . . . . 27 GLN CA . 19814 1 299 . 1 1 27 27 GLN CB C 13 29.294 0.300 . 1 . . . . . 27 GLN CB . 19814 1 300 . 1 1 27 27 GLN CG C 13 33.670 0.300 . 1 . . . . . 27 GLN CG . 19814 1 301 . 1 1 27 27 GLN N N 15 122.017 0.000 . 1 . . . . . 27 GLN N . 19814 1 302 . 1 1 28 28 ARG H H 1 8.394 0.500 . 1 . . . . . 28 ARG HN . 19814 1 303 . 1 1 28 28 ARG HA H 1 4.308 0.500 . 1 . . . . . 28 ARG HA . 19814 1 304 . 1 1 28 28 ARG HB2 H 1 1.786 0.500 . 2 . . . . . 28 ARG HB1 . 19814 1 305 . 1 1 28 28 ARG HB3 H 1 1.786 0.500 . 2 . . . . . 28 ARG HB2 . 19814 1 306 . 1 1 28 28 ARG HG2 H 1 1.595 0.500 . 2 . . . . . 28 ARG HG1 . 19814 1 307 . 1 1 28 28 ARG HG3 H 1 1.595 0.500 . 2 . . . . . 28 ARG HG2 . 19814 1 308 . 1 1 28 28 ARG HD2 H 1 3.165 0.500 . 2 . . . . . 28 ARG HD1 . 19814 1 309 . 1 1 28 28 ARG HD3 H 1 3.165 0.500 . 2 . . . . . 28 ARG HD2 . 19814 1 310 . 1 1 28 28 ARG C C 13 176.135 0.300 . 1 . . . . . 28 ARG C . 19814 1 311 . 1 1 28 28 ARG CA C 13 56.106 0.300 . 1 . . . . . 28 ARG CA . 19814 1 312 . 1 1 28 28 ARG CB C 13 30.660 0.300 . 1 . . . . . 28 ARG CB . 19814 1 313 . 1 1 28 28 ARG CG C 13 26.838 0.300 . 1 . . . . . 28 ARG CG . 19814 1 314 . 1 1 28 28 ARG CD C 13 43.204 0.300 . 1 . . . . . 28 ARG CD . 19814 1 315 . 1 1 28 28 ARG N N 15 123.014 0.000 . 1 . . . . . 28 ARG N . 19814 1 316 . 1 1 29 29 VAL H H 1 8.359 0.500 . 1 . . . . . 29 VAL HN . 19814 1 317 . 1 1 29 29 VAL HA H 1 4.019 0.500 . 1 . . . . . 29 VAL HA . 19814 1 318 . 1 1 29 29 VAL HB H 1 1.962 0.500 . 1 . . . . . 29 VAL HB . 19814 1 319 . 1 1 29 29 VAL HG11 H 1 0.886 0.500 . 2 . . . . . 29 VAL HG11 . 19814 1 320 . 1 1 29 29 VAL HG12 H 1 0.886 0.500 . 2 . . . . . 29 VAL HG11 . 19814 1 321 . 1 1 29 29 VAL HG13 H 1 0.886 0.500 . 2 . . . . . 29 VAL HG11 . 19814 1 322 . 1 1 29 29 VAL HG21 H 1 0.816 0.500 . 2 . . . . . 29 VAL HG21 . 19814 1 323 . 1 1 29 29 VAL HG22 H 1 0.816 0.500 . 2 . . . . . 29 VAL HG21 . 19814 1 324 . 1 1 29 29 VAL HG23 H 1 0.816 0.500 . 2 . . . . . 29 VAL HG21 . 19814 1 325 . 1 1 29 29 VAL C C 13 175.938 0.300 . 1 . . . . . 29 VAL C . 19814 1 326 . 1 1 29 29 VAL CA C 13 62.541 0.300 . 1 . . . . . 29 VAL CA . 19814 1 327 . 1 1 29 29 VAL CB C 13 32.590 0.300 . 1 . . . . . 29 VAL CB . 19814 1 328 . 1 1 29 29 VAL CG1 C 13 20.375 0.300 . 1 . . . . . 29 VAL CG1 . 19814 1 329 . 1 1 29 29 VAL CG2 C 13 20.375 0.300 . 1 . . . . . 29 VAL CG2 . 19814 1 330 . 1 1 29 29 VAL N N 15 122.971 0.000 . 1 . . . . . 29 VAL N . 19814 1 331 . 1 1 30 30 GLU H H 1 8.592 0.500 . 1 . . . . . 30 GLU HN . 19814 1 332 . 1 1 30 30 GLU HA H 1 4.216 0.500 . 1 . . . . . 30 GLU HA . 19814 1 333 . 1 1 30 30 GLU HB2 H 1 1.920 0.500 . 2 . . . . . 30 GLU HB1 . 19814 1 334 . 1 1 30 30 GLU HB3 H 1 1.800 0.500 . 2 . . . . . 30 GLU HB2 . 19814 1 335 . 1 1 30 30 GLU HG2 H 1 2.180 0.500 . 2 . . . . . 30 GLU HG1 . 19814 1 336 . 1 1 30 30 GLU HG3 H 1 2.077 0.500 . 2 . . . . . 30 GLU HG2 . 19814 1 337 . 1 1 30 30 GLU C C 13 175.940 0.300 . 1 . . . . . 30 GLU C . 19814 1 338 . 1 1 30 30 GLU CA C 13 56.260 0.300 . 1 . . . . . 30 GLU CA . 19814 1 339 . 1 1 30 30 GLU CB C 13 30.274 0.300 . 1 . . . . . 30 GLU CB . 19814 1 340 . 1 1 30 30 GLU CG C 13 35.935 0.300 . 1 . . . . . 30 GLU CG . 19814 1 341 . 1 1 30 30 GLU N N 15 125.167 0.000 . 1 . . . . . 30 GLU N . 19814 1 342 . 1 1 31 31 PHE H H 1 8.445 0.500 . 1 . . . . . 31 PHE HN . 19814 1 343 . 1 1 31 31 PHE HA H 1 4.552 0.500 . 1 . . . . . 31 PHE HA . 19814 1 344 . 1 1 31 31 PHE HB2 H 1 3.083 0.500 . 2 . . . . . 31 PHE HB1 . 19814 1 345 . 1 1 31 31 PHE HB3 H 1 2.998 0.500 . 2 . . . . . 31 PHE HB2 . 19814 1 346 . 1 1 31 31 PHE C C 13 175.550 0.300 . 1 . . . . . 31 PHE C . 19814 1 347 . 1 1 31 31 PHE CA C 13 58.015 0.300 . 1 . . . . . 31 PHE CA . 19814 1 348 . 1 1 31 31 PHE CB C 13 39.404 0.300 . 1 . . . . . 31 PHE CB . 19814 1 349 . 1 1 31 31 PHE N N 15 122.350 0.000 . 1 . . . . . 31 PHE N . 19814 1 350 . 1 1 32 32 LYS H H 1 8.257 0.500 . 1 . . . . . 32 LYS HN . 19814 1 351 . 1 1 32 32 LYS HA H 1 4.227 0.500 . 1 . . . . . 32 LYS HA . 19814 1 352 . 1 1 32 32 LYS HB2 H 1 1.743 0.500 . 2 . . . . . 32 LYS HB1 . 19814 1 353 . 1 1 32 32 LYS HB3 H 1 1.743 0.500 . 2 . . . . . 32 LYS HB2 . 19814 1 354 . 1 1 32 32 LYS HG2 H 1 1.324 0.500 . 2 . . . . . 32 LYS HG1 . 19814 1 355 . 1 1 32 32 LYS HG3 H 1 1.324 0.500 . 2 . . . . . 32 LYS HG2 . 19814 1 356 . 1 1 32 32 LYS HD2 H 1 1.616 0.500 . 2 . . . . . 32 LYS HD1 . 19814 1 357 . 1 1 32 32 LYS HD3 H 1 1.616 0.500 . 2 . . . . . 32 LYS HD2 . 19814 1 358 . 1 1 32 32 LYS HE2 H 1 2.920 0.500 . 2 . . . . . 32 LYS HE1 . 19814 1 359 . 1 1 32 32 LYS HE3 H 1 2.920 0.500 . 2 . . . . . 32 LYS HE2 . 19814 1 360 . 1 1 32 32 LYS C C 13 175.545 0.300 . 1 . . . . . 32 LYS C . 19814 1 361 . 1 1 32 32 LYS CA C 13 56.193 0.300 . 1 . . . . . 32 LYS CA . 19814 1 362 . 1 1 32 32 LYS CB C 13 33.173 0.300 . 1 . . . . . 32 LYS CB . 19814 1 363 . 1 1 32 32 LYS CG C 13 24.110 0.300 . 1 . . . . . 32 LYS CG . 19814 1 364 . 1 1 32 32 LYS CD C 13 28.777 0.300 . 1 . . . . . 32 LYS CD . 19814 1 365 . 1 1 32 32 LYS CE C 13 42.037 0.300 . 1 . . . . . 32 LYS CE . 19814 1 366 . 1 1 32 32 LYS N N 15 123.483 0.000 . 1 . . . . . 32 LYS N . 19814 1 367 . 1 1 33 33 ASP H H 1 8.325 0.500 . 1 . . . . . 33 ASP HN . 19814 1 368 . 1 1 33 33 ASP HA H 1 4.481 0.500 . 1 . . . . . 33 ASP HA . 19814 1 369 . 1 1 33 33 ASP HB2 H 1 2.703 0.500 . 2 . . . . . 33 ASP HB1 . 19814 1 370 . 1 1 33 33 ASP HB3 H 1 2.536 0.500 . 2 . . . . . 33 ASP HB2 . 19814 1 371 . 1 1 33 33 ASP C C 13 176.204 0.300 . 1 . . . . . 33 ASP C . 19814 1 372 . 1 1 33 33 ASP CA C 13 54.422 0.300 . 1 . . . . . 33 ASP CA . 19814 1 373 . 1 1 33 33 ASP CB C 13 40.920 0.300 . 1 . . . . . 33 ASP CB . 19814 1 374 . 1 1 33 33 ASP N N 15 121.598 0.000 . 1 . . . . . 33 ASP N . 19814 1 375 . 1 1 34 34 LEU H H 1 8.196 0.500 . 1 . . . . . 34 LEU HN . 19814 1 376 . 1 1 34 34 LEU HA H 1 4.238 0.500 . 1 . . . . . 34 LEU HA . 19814 1 377 . 1 1 34 34 LEU HB2 H 1 1.506 0.500 . 2 . . . . . 34 LEU HB1 . 19814 1 378 . 1 1 34 34 LEU HB3 H 1 1.506 0.500 . 2 . . . . . 34 LEU HB2 . 19814 1 379 . 1 1 34 34 LEU HG H 1 1.506 0.500 . 1 . . . . . 34 LEU HG . 19814 1 380 . 1 1 34 34 LEU HD11 H 1 0.772 0.500 . 2 . . . . . 34 LEU HD11 . 19814 1 381 . 1 1 34 34 LEU HD12 H 1 0.772 0.500 . 2 . . . . . 34 LEU HD11 . 19814 1 382 . 1 1 34 34 LEU HD13 H 1 0.772 0.500 . 2 . . . . . 34 LEU HD11 . 19814 1 383 . 1 1 34 34 LEU HD21 H 1 0.772 0.500 . 2 . . . . . 34 LEU HD21 . 19814 1 384 . 1 1 34 34 LEU HD22 H 1 0.772 0.500 . 2 . . . . . 34 LEU HD21 . 19814 1 385 . 1 1 34 34 LEU HD23 H 1 0.772 0.500 . 2 . . . . . 34 LEU HD21 . 19814 1 386 . 1 1 34 34 LEU C C 13 177.102 0.300 . 1 . . . . . 34 LEU C . 19814 1 387 . 1 1 34 34 LEU CA C 13 55.285 0.300 . 1 . . . . . 34 LEU CA . 19814 1 388 . 1 1 34 34 LEU CB C 13 42.425 0.300 . 1 . . . . . 34 LEU CB . 19814 1 389 . 1 1 34 34 LEU CG C 13 26.540 0.300 . 1 . . . . . 34 LEU CG . 19814 1 390 . 1 1 34 34 LEU CD1 C 13 24.502 0.300 . 1 . . . . . 34 LEU CD1 . 19814 1 391 . 1 1 34 34 LEU CD2 C 13 23.056 0.300 . 1 . . . . . 34 LEU CD2 . 19814 1 392 . 1 1 34 34 LEU N N 15 122.707 0.000 . 1 . . . . . 34 LEU N . 19814 1 393 . 1 1 35 35 ASP H H 1 8.452 0.500 . 1 . . . . . 35 ASP HN . 19814 1 394 . 1 1 35 35 ASP HA H 1 4.579 0.500 . 1 . . . . . 35 ASP HA . 19814 1 395 . 1 1 35 35 ASP HB2 H 1 2.740 0.500 . 2 . . . . . 35 ASP HB1 . 19814 1 396 . 1 1 35 35 ASP HB3 H 1 2.600 0.500 . 2 . . . . . 35 ASP HB2 . 19814 1 397 . 1 1 35 35 ASP C C 13 176.511 0.300 . 1 . . . . . 35 ASP C . 19814 1 398 . 1 1 35 35 ASP CA C 13 54.112 0.300 . 1 . . . . . 35 ASP CA . 19814 1 399 . 1 1 35 35 ASP CB C 13 40.676 0.300 . 1 . . . . . 35 ASP CB . 19814 1 400 . 1 1 35 35 ASP N N 15 121.385 0.000 . 1 . . . . . 35 ASP N . 19814 1 401 . 1 1 36 36 LEU H H 1 8.332 0.500 . 1 . . . . . 36 LEU HN . 19814 1 402 . 1 1 36 36 LEU HA H 1 4.320 0.500 . 1 . . . . . 36 LEU HA . 19814 1 403 . 1 1 36 36 LEU HB2 H 1 1.603 0.500 . 2 . . . . . 36 LEU HB1 . 19814 1 404 . 1 1 36 36 LEU HB3 H 1 1.603 0.500 . 2 . . . . . 36 LEU HB2 . 19814 1 405 . 1 1 36 36 LEU HG H 1 1.603 0.500 . 1 . . . . . 36 LEU HG . 19814 1 406 . 1 1 36 36 LEU HD11 H 1 0.826 0.500 . 2 . . . . . 36 LEU HD11 . 19814 1 407 . 1 1 36 36 LEU HD12 H 1 0.826 0.500 . 2 . . . . . 36 LEU HD11 . 19814 1 408 . 1 1 36 36 LEU HD13 H 1 0.826 0.500 . 2 . . . . . 36 LEU HD11 . 19814 1 409 . 1 1 36 36 LEU HD21 H 1 0.826 0.500 . 2 . . . . . 36 LEU HD21 . 19814 1 410 . 1 1 36 36 LEU HD22 H 1 0.826 0.500 . 2 . . . . . 36 LEU HD21 . 19814 1 411 . 1 1 36 36 LEU HD23 H 1 0.826 0.500 . 2 . . . . . 36 LEU HD21 . 19814 1 412 . 1 1 36 36 LEU C C 13 178.076 0.300 . 1 . . . . . 36 LEU C . 19814 1 413 . 1 1 36 36 LEU CA C 13 55.127 0.300 . 1 . . . . . 36 LEU CA . 19814 1 414 . 1 1 36 36 LEU CB C 13 41.862 0.300 . 1 . . . . . 36 LEU CB . 19814 1 415 . 1 1 36 36 LEU CG C 13 26.550 0.300 . 1 . . . . . 36 LEU CG . 19814 1 416 . 1 1 36 36 LEU CD1 C 13 24.860 0.300 . 1 . . . . . 36 LEU CD1 . 19814 1 417 . 1 1 36 36 LEU CD2 C 13 22.550 0.300 . 1 . . . . . 36 LEU CD2 . 19814 1 418 . 1 1 36 36 LEU N N 15 123.694 0.000 . 1 . . . . . 36 LEU N . 19814 1 419 . 1 1 37 37 SER H H 1 8.438 0.500 . 1 . . . . . 37 SER HN . 19814 1 420 . 1 1 37 37 SER HA H 1 4.373 0.500 . 1 . . . . . 37 SER HA . 19814 1 421 . 1 1 37 37 SER HB2 H 1 3.880 0.500 . 2 . . . . . 37 SER HB1 . 19814 1 422 . 1 1 37 37 SER HB3 H 1 3.880 0.500 . 2 . . . . . 37 SER HB2 . 19814 1 423 . 1 1 37 37 SER C C 13 175.153 0.300 . 1 . . . . . 37 SER C . 19814 1 424 . 1 1 37 37 SER CA C 13 59.281 0.300 . 1 . . . . . 37 SER CA . 19814 1 425 . 1 1 37 37 SER CB C 13 63.788 0.300 . 1 . . . . . 37 SER CB . 19814 1 426 . 1 1 37 37 SER N N 15 116.678 0.000 . 1 . . . . . 37 SER N . 19814 1 427 . 1 1 38 38 SER H H 1 8.379 0.500 . 1 . . . . . 38 SER HN . 19814 1 428 . 1 1 38 38 SER HA H 1 4.373 0.500 . 1 . . . . . 38 SER HA . 19814 1 429 . 1 1 38 38 SER HB2 H 1 3.881 0.500 . 2 . . . . . 38 SER HB1 . 19814 1 430 . 1 1 38 38 SER HB3 H 1 3.881 0.500 . 2 . . . . . 38 SER HB2 . 19814 1 431 . 1 1 38 38 SER C C 13 175.161 0.300 . 1 . . . . . 38 SER C . 19814 1 432 . 1 1 38 38 SER CA C 13 59.421 0.300 . 1 . . . . . 38 SER CA . 19814 1 433 . 1 1 38 38 SER CB C 13 63.564 0.300 . 1 . . . . . 38 SER CB . 19814 1 434 . 1 1 38 38 SER N N 15 118.111 0.000 . 1 . . . . . 38 SER N . 19814 1 435 . 1 1 39 39 GLU H H 1 8.402 0.500 . 1 . . . . . 39 GLU HN . 19814 1 436 . 1 1 39 39 GLU HA H 1 4.240 0.500 . 1 . . . . . 39 GLU HA . 19814 1 437 . 1 1 39 39 GLU HB2 H 1 2.035 0.500 . 2 . . . . . 39 GLU HB1 . 19814 1 438 . 1 1 39 39 GLU HB3 H 1 1.940 0.500 . 2 . . . . . 39 GLU HB2 . 19814 1 439 . 1 1 39 39 GLU HG2 H 1 2.224 0.500 . 2 . . . . . 39 GLU HG1 . 19814 1 440 . 1 1 39 39 GLU HG3 H 1 2.224 0.500 . 2 . . . . . 39 GLU HG2 . 19814 1 441 . 1 1 39 39 GLU C C 13 176.914 0.300 . 1 . . . . . 39 GLU C . 19814 1 442 . 1 1 39 39 GLU CA C 13 57.112 0.300 . 1 . . . . . 39 GLU CA . 19814 1 443 . 1 1 39 39 GLU CB C 13 29.936 0.300 . 1 . . . . . 39 GLU CB . 19814 1 444 . 1 1 39 39 GLU CG C 13 36.050 0.300 . 1 . . . . . 39 GLU CG . 19814 1 445 . 1 1 39 39 GLU N N 15 122.770 0.000 . 1 . . . . . 39 GLU N . 19814 1 446 . 1 1 40 40 ALA H H 1 8.201 0.500 . 1 . . . . . 40 ALA HN . 19814 1 447 . 1 1 40 40 ALA HA H 1 4.207 0.500 . 1 . . . . . 40 ALA HA . 19814 1 448 . 1 1 40 40 ALA HB1 H 1 1.394 0.500 . 1 . . . . . 40 ALA HB1 . 19814 1 449 . 1 1 40 40 ALA HB2 H 1 1.394 0.500 . 1 . . . . . 40 ALA HB1 . 19814 1 450 . 1 1 40 40 ALA HB3 H 1 1.394 0.500 . 1 . . . . . 40 ALA HB1 . 19814 1 451 . 1 1 40 40 ALA C C 13 178.272 0.300 . 1 . . . . . 40 ALA C . 19814 1 452 . 1 1 40 40 ALA CA C 13 53.175 0.300 . 1 . . . . . 40 ALA CA . 19814 1 453 . 1 1 40 40 ALA CB C 13 18.746 0.300 . 1 . . . . . 40 ALA CB . 19814 1 454 . 1 1 40 40 ALA N N 15 124.217 0.000 . 1 . . . . . 40 ALA N . 19814 1 455 . 1 1 41 41 ALA H H 1 8.189 0.500 . 1 . . . . . 41 ALA HN . 19814 1 456 . 1 1 41 41 ALA HA H 1 4.225 0.500 . 1 . . . . . 41 ALA HA . 19814 1 457 . 1 1 41 41 ALA HB1 H 1 1.394 0.500 . 1 . . . . . 41 ALA HB1 . 19814 1 458 . 1 1 41 41 ALA HB2 H 1 1.394 0.500 . 1 . . . . . 41 ALA HB1 . 19814 1 459 . 1 1 41 41 ALA HB3 H 1 1.394 0.500 . 1 . . . . . 41 ALA HB1 . 19814 1 460 . 1 1 41 41 ALA C C 13 178.083 0.300 . 1 . . . . . 41 ALA C . 19814 1 461 . 1 1 41 41 ALA CA C 13 53.026 0.300 . 1 . . . . . 41 ALA CA . 19814 1 462 . 1 1 41 41 ALA CB C 13 18.763 0.300 . 1 . . . . . 41 ALA CB . 19814 1 463 . 1 1 41 41 ALA N N 15 122.449 0.000 . 1 . . . . . 41 ALA N . 19814 1 464 . 1 1 42 42 ALA H H 1 8.145 0.500 . 1 . . . . . 42 ALA HN . 19814 1 465 . 1 1 42 42 ALA HA H 1 4.258 0.500 . 1 . . . . . 42 ALA HA . 19814 1 466 . 1 1 42 42 ALA HB1 H 1 1.393 0.500 . 1 . . . . . 42 ALA HB1 . 19814 1 467 . 1 1 42 42 ALA HB2 H 1 1.393 0.500 . 1 . . . . . 42 ALA HB1 . 19814 1 468 . 1 1 42 42 ALA HB3 H 1 1.393 0.500 . 1 . . . . . 42 ALA HB1 . 19814 1 469 . 1 1 42 42 ALA C C 13 177.896 0.300 . 1 . . . . . 42 ALA C . 19814 1 470 . 1 1 42 42 ALA CA C 13 52.956 0.300 . 1 . . . . . 42 ALA CA . 19814 1 471 . 1 1 42 42 ALA CB C 13 18.772 0.300 . 1 . . . . . 42 ALA CB . 19814 1 472 . 1 1 42 42 ALA N N 15 122.397 0.000 . 1 . . . . . 42 ALA N . 19814 1 473 . 1 1 43 43 ASN H H 1 8.342 0.500 . 1 . . . . . 43 ASN HN . 19814 1 474 . 1 1 43 43 ASN HA H 1 4.669 0.500 . 1 . . . . . 43 ASN HA . 19814 1 475 . 1 1 43 43 ASN HB2 H 1 2.835 0.500 . 2 . . . . . 43 ASN HB1 . 19814 1 476 . 1 1 43 43 ASN HB3 H 1 2.835 0.500 . 2 . . . . . 43 ASN HB2 . 19814 1 477 . 1 1 43 43 ASN C C 13 175.349 0.300 . 1 . . . . . 43 ASN C . 19814 1 478 . 1 1 43 43 ASN CA C 13 53.217 0.300 . 1 . . . . . 43 ASN CA . 19814 1 479 . 1 1 43 43 ASN CB C 13 38.704 0.300 . 1 . . . . . 43 ASN CB . 19814 1 480 . 1 1 43 43 ASN N N 15 117.450 0.000 . 1 . . . . . 43 ASN N . 19814 1 481 . 1 1 44 44 ASN H H 1 8.419 0.500 . 1 . . . . . 44 ASN HN . 19814 1 482 . 1 1 44 44 ASN HA H 1 4.636 0.500 . 1 . . . . . 44 ASN HA . 19814 1 483 . 1 1 44 44 ASN HB2 H 1 2.891 0.500 . 2 . . . . . 44 ASN HB1 . 19814 1 484 . 1 1 44 44 ASN HB3 H 1 2.774 0.500 . 2 . . . . . 44 ASN HB2 . 19814 1 485 . 1 1 44 44 ASN C C 13 175.933 0.300 . 1 . . . . . 44 ASN C . 19814 1 486 . 1 1 44 44 ASN CA C 13 53.627 0.300 . 1 . . . . . 44 ASN CA . 19814 1 487 . 1 1 44 44 ASN CB C 13 38.699 0.300 . 1 . . . . . 44 ASN CB . 19814 1 488 . 1 1 44 44 ASN N N 15 119.257 0.000 . 1 . . . . . 44 ASN N . 19814 1 489 . 1 1 45 45 GLY H H 1 8.448 0.500 . 1 . . . . . 45 GLY HN . 19814 1 490 . 1 1 45 45 GLY HA2 H 1 3.867 0.500 . 2 . . . . . 45 GLY HA1 . 19814 1 491 . 1 1 45 45 GLY HA3 H 1 3.867 0.500 . 2 . . . . . 45 GLY HA2 . 19814 1 492 . 1 1 45 45 GLY C C 13 174.576 0.300 . 1 . . . . . 45 GLY C . 19814 1 493 . 1 1 45 45 GLY CA C 13 45.671 0.300 . 1 . . . . . 45 GLY CA . 19814 1 494 . 1 1 45 45 GLY N N 15 108.998 0.000 . 1 . . . . . 45 GLY N . 19814 1 495 . 1 1 46 46 GLU H H 1 8.287 0.500 . 1 . . . . . 46 GLU HN . 19814 1 496 . 1 1 46 46 GLU HA H 1 4.214 0.500 . 1 . . . . . 46 GLU HA . 19814 1 497 . 1 1 46 46 GLU HB2 H 1 2.220 0.500 . 2 . . . . . 46 GLU HB1 . 19814 1 498 . 1 1 46 46 GLU HB3 H 1 1.928 0.500 . 2 . . . . . 46 GLU HB2 . 19814 1 499 . 1 1 46 46 GLU HG2 H 1 2.300 0.500 . 2 . . . . . 46 GLU HG1 . 19814 1 500 . 1 1 46 46 GLU HG3 H 1 2.300 0.500 . 2 . . . . . 46 GLU HG2 . 19814 1 501 . 1 1 46 46 GLU C C 13 177.102 0.300 . 1 . . . . . 46 GLU C . 19814 1 502 . 1 1 46 46 GLU CA C 13 56.822 0.300 . 1 . . . . . 46 GLU CA . 19814 1 503 . 1 1 46 46 GLU CB C 13 30.025 0.300 . 1 . . . . . 46 GLU CB . 19814 1 504 . 1 1 46 46 GLU CG C 13 36.312 0.300 . 1 . . . . . 46 GLU CG . 19814 1 505 . 1 1 46 46 GLU N N 15 120.943 0.000 . 1 . . . . . 46 GLU N . 19814 1 506 . 1 1 47 47 LYS H H 1 8.462 0.500 . 1 . . . . . 47 LYS HN . 19814 1 507 . 1 1 47 47 LYS HA H 1 4.241 0.500 . 1 . . . . . 47 LYS HA . 19814 1 508 . 1 1 47 47 LYS HB2 H 1 1.769 0.500 . 2 . . . . . 47 LYS HB1 . 19814 1 509 . 1 1 47 47 LYS HB3 H 1 1.769 0.500 . 2 . . . . . 47 LYS HB2 . 19814 1 510 . 1 1 47 47 LYS HG2 H 1 1.397 0.500 . 2 . . . . . 47 LYS HG1 . 19814 1 511 . 1 1 47 47 LYS HG3 H 1 1.397 0.500 . 2 . . . . . 47 LYS HG2 . 19814 1 512 . 1 1 47 47 LYS HD2 H 1 1.652 0.500 . 2 . . . . . 47 LYS HD1 . 19814 1 513 . 1 1 47 47 LYS HD3 H 1 1.652 0.500 . 2 . . . . . 47 LYS HD2 . 19814 1 514 . 1 1 47 47 LYS HE2 H 1 2.959 0.500 . 2 . . . . . 47 LYS HE1 . 19814 1 515 . 1 1 47 47 LYS HE3 H 1 2.959 0.500 . 2 . . . . . 47 LYS HE2 . 19814 1 516 . 1 1 47 47 LYS C C 13 176.907 0.300 . 1 . . . . . 47 LYS C . 19814 1 517 . 1 1 47 47 LYS CA C 13 56.947 0.300 . 1 . . . . . 47 LYS CA . 19814 1 518 . 1 1 47 47 LYS CB C 13 32.561 0.300 . 1 . . . . . 47 LYS CB . 19814 1 519 . 1 1 47 47 LYS CG C 13 24.377 0.300 . 1 . . . . . 47 LYS CG . 19814 1 520 . 1 1 47 47 LYS CD C 13 28.810 0.300 . 1 . . . . . 47 LYS CD . 19814 1 521 . 1 1 47 47 LYS CE C 13 42.027 0.300 . 1 . . . . . 47 LYS CE . 19814 1 522 . 1 1 47 47 LYS N N 15 122.017 0.000 . 1 . . . . . 47 LYS N . 19814 1 523 . 1 1 48 48 ASN H H 1 8.503 0.500 . 1 . . . . . 48 ASN HN . 19814 1 524 . 1 1 48 48 ASN HA H 1 4.671 0.500 . 1 . . . . . 48 ASN HA . 19814 1 525 . 1 1 48 48 ASN HB2 H 1 2.866 0.500 . 2 . . . . . 48 ASN HB1 . 19814 1 526 . 1 1 48 48 ASN HB3 H 1 2.759 0.500 . 2 . . . . . 48 ASN HB2 . 19814 1 527 . 1 1 48 48 ASN C C 13 175.724 0.300 . 1 . . . . . 48 ASN C . 19814 1 528 . 1 1 48 48 ASN CA C 13 53.460 0.300 . 1 . . . . . 48 ASN CA . 19814 1 529 . 1 1 48 48 ASN CB C 13 38.682 0.300 . 1 . . . . . 48 ASN CB . 19814 1 530 . 1 1 48 48 ASN N N 15 118.983 0.000 . 1 . . . . . 48 ASN N . 19814 1 531 . 1 1 49 49 SER H H 1 8.322 0.500 . 1 . . . . . 49 SER HN . 19814 1 532 . 1 1 49 49 SER HA H 1 4.318 0.500 . 1 . . . . . 49 SER HA . 19814 1 533 . 1 1 49 49 SER HB2 H 1 3.889 0.500 . 2 . . . . . 49 SER HB1 . 19814 1 534 . 1 1 49 49 SER HB3 H 1 3.889 0.500 . 2 . . . . . 49 SER HB2 . 19814 1 535 . 1 1 49 49 SER C C 13 175.063 0.300 . 1 . . . . . 49 SER C . 19814 1 536 . 1 1 49 49 SER CA C 13 59.400 0.300 . 1 . . . . . 49 SER CA . 19814 1 537 . 1 1 49 49 SER CB C 13 63.764 0.300 . 1 . . . . . 49 SER CB . 19814 1 538 . 1 1 49 49 SER N N 15 116.308 0.000 . 1 . . . . . 49 SER N . 19814 1 539 . 1 1 50 50 ARG H H 1 8.379 0.500 . 1 . . . . . 50 ARG HN . 19814 1 540 . 1 1 50 50 ARG HA H 1 4.226 0.500 . 1 . . . . . 50 ARG HA . 19814 1 541 . 1 1 50 50 ARG HB2 H 1 1.855 0.500 . 2 . . . . . 50 ARG HB1 . 19814 1 542 . 1 1 50 50 ARG HB3 H 1 1.782 0.500 . 2 . . . . . 50 ARG HB2 . 19814 1 543 . 1 1 50 50 ARG HG2 H 1 1.627 0.500 . 2 . . . . . 50 ARG HG1 . 19814 1 544 . 1 1 50 50 ARG HG3 H 1 1.627 0.500 . 2 . . . . . 50 ARG HG2 . 19814 1 545 . 1 1 50 50 ARG HD2 H 1 3.175 0.500 . 2 . . . . . 50 ARG HD1 . 19814 1 546 . 1 1 50 50 ARG HD3 H 1 3.175 0.500 . 2 . . . . . 50 ARG HD2 . 19814 1 547 . 1 1 50 50 ARG C C 13 176.817 0.300 . 1 . . . . . 50 ARG C . 19814 1 548 . 1 1 50 50 ARG CA C 13 56.919 0.300 . 1 . . . . . 50 ARG CA . 19814 1 549 . 1 1 50 50 ARG CB C 13 30.122 0.300 . 1 . . . . . 50 ARG CB . 19814 1 550 . 1 1 50 50 ARG CG C 13 26.937 0.300 . 1 . . . . . 50 ARG CG . 19814 1 551 . 1 1 50 50 ARG CD C 13 43.193 0.300 . 1 . . . . . 50 ARG CD . 19814 1 552 . 1 1 50 50 ARG N N 15 122.621 0.000 . 1 . . . . . 50 ARG N . 19814 1 553 . 1 1 51 51 GLN H H 1 8.301 0.500 . 1 . . . . . 51 GLN HN . 19814 1 554 . 1 1 51 51 GLN HA H 1 4.198 0.500 . 1 . . . . . 51 GLN HA . 19814 1 555 . 1 1 51 51 GLN HB2 H 1 2.160 0.500 . 2 . . . . . 51 GLN HB1 . 19814 1 556 . 1 1 51 51 GLN HB3 H 1 1.960 0.500 . 2 . . . . . 51 GLN HB2 . 19814 1 557 . 1 1 51 51 GLN HG2 H 1 2.333 0.500 . 2 . . . . . 51 GLN HG1 . 19814 1 558 . 1 1 51 51 GLN HG3 H 1 2.333 0.500 . 2 . . . . . 51 GLN HG2 . 19814 1 559 . 1 1 51 51 GLN C C 13 176.324 0.300 . 1 . . . . . 51 GLN C . 19814 1 560 . 1 1 51 51 GLN CA C 13 56.247 0.300 . 1 . . . . . 51 GLN CA . 19814 1 561 . 1 1 51 51 GLN CB C 13 28.981 0.300 . 1 . . . . . 51 GLN CB . 19814 1 562 . 1 1 51 51 GLN CG C 13 33.550 0.300 . 1 . . . . . 51 GLN CG . 19814 1 563 . 1 1 51 51 GLN N N 15 120.567 0.000 . 1 . . . . . 51 GLN N . 19814 1 564 . 1 1 52 52 ARG H H 1 8.292 0.500 . 1 . . . . . 52 ARG HN . 19814 1 565 . 1 1 52 52 ARG HA H 1 4.234 0.500 . 1 . . . . . 52 ARG HA . 19814 1 566 . 1 1 52 52 ARG HB2 H 1 1.800 0.500 . 2 . . . . . 52 ARG HB1 . 19814 1 567 . 1 1 52 52 ARG HB3 H 1 1.800 0.500 . 2 . . . . . 52 ARG HB2 . 19814 1 568 . 1 1 52 52 ARG HG2 H 1 1.620 0.500 . 2 . . . . . 52 ARG HG1 . 19814 1 569 . 1 1 52 52 ARG HG3 H 1 1.620 0.500 . 2 . . . . . 52 ARG HG2 . 19814 1 570 . 1 1 52 52 ARG HD2 H 1 3.170 0.500 . 2 . . . . . 52 ARG HD1 . 19814 1 571 . 1 1 52 52 ARG HD3 H 1 3.170 0.500 . 2 . . . . . 52 ARG HD2 . 19814 1 572 . 1 1 52 52 ARG C C 13 176.331 0.300 . 1 . . . . . 52 ARG C . 19814 1 573 . 1 1 52 52 ARG CA C 13 56.349 0.300 . 1 . . . . . 52 ARG CA . 19814 1 574 . 1 1 52 52 ARG CB C 13 30.637 0.300 . 1 . . . . . 52 ARG CB . 19814 1 575 . 1 1 52 52 ARG CG C 13 26.883 0.300 . 1 . . . . . 52 ARG CG . 19814 1 576 . 1 1 52 52 ARG CD C 13 43.139 0.300 . 1 . . . . . 52 ARG CD . 19814 1 577 . 1 1 52 52 ARG N N 15 121.932 0.000 . 1 . . . . . 52 ARG N . 19814 1 578 . 1 1 53 53 LEU H H 1 8.196 0.500 . 1 . . . . . 53 LEU HN . 19814 1 579 . 1 1 53 53 LEU HA H 1 4.300 0.500 . 1 . . . . . 53 LEU HA . 19814 1 580 . 1 1 53 53 LEU HB2 H 1 1.597 0.500 . 2 . . . . . 53 LEU HB1 . 19814 1 581 . 1 1 53 53 LEU HB3 H 1 1.597 0.500 . 2 . . . . . 53 LEU HB2 . 19814 1 582 . 1 1 53 53 LEU HG H 1 1.597 0.500 . 1 . . . . . 53 LEU HG . 19814 1 583 . 1 1 53 53 LEU HD11 H 1 0.885 0.500 . 2 . . . . . 53 LEU HD11 . 19814 1 584 . 1 1 53 53 LEU HD12 H 1 0.885 0.500 . 2 . . . . . 53 LEU HD11 . 19814 1 585 . 1 1 53 53 LEU HD13 H 1 0.885 0.500 . 2 . . . . . 53 LEU HD11 . 19814 1 586 . 1 1 53 53 LEU HD21 H 1 0.813 0.500 . 2 . . . . . 53 LEU HD21 . 19814 1 587 . 1 1 53 53 LEU HD22 H 1 0.813 0.500 . 2 . . . . . 53 LEU HD21 . 19814 1 588 . 1 1 53 53 LEU HD23 H 1 0.813 0.500 . 2 . . . . . 53 LEU HD21 . 19814 1 589 . 1 1 53 53 LEU C C 13 177.297 0.300 . 1 . . . . . 53 LEU C . 19814 1 590 . 1 1 53 53 LEU CA C 13 55.104 0.300 . 1 . . . . . 53 LEU CA . 19814 1 591 . 1 1 53 53 LEU CB C 13 41.977 0.300 . 1 . . . . . 53 LEU CB . 19814 1 592 . 1 1 53 53 LEU CG C 13 26.550 0.300 . 1 . . . . . 53 LEU CG . 19814 1 593 . 1 1 53 53 LEU CD1 C 13 24.523 0.300 . 1 . . . . . 53 LEU CD1 . 19814 1 594 . 1 1 53 53 LEU CD2 C 13 22.986 0.300 . 1 . . . . . 53 LEU CD2 . 19814 1 595 . 1 1 53 53 LEU N N 15 122.708 0.000 . 1 . . . . . 53 LEU N . 19814 1 596 . 1 1 54 54 LEU H H 1 8.161 0.500 . 1 . . . . . 54 LEU HN . 19814 1 597 . 1 1 54 54 LEU HA H 1 4.292 0.500 . 1 . . . . . 54 LEU HA . 19814 1 598 . 1 1 54 54 LEU HB2 H 1 1.496 0.500 . 2 . . . . . 54 LEU HB1 . 19814 1 599 . 1 1 54 54 LEU HB3 H 1 1.496 0.500 . 2 . . . . . 54 LEU HB2 . 19814 1 600 . 1 1 54 54 LEU HG H 1 1.485 0.500 . 1 . . . . . 54 LEU HG . 19814 1 601 . 1 1 54 54 LEU HD11 H 1 0.885 0.500 . 2 . . . . . 54 LEU HD11 . 19814 1 602 . 1 1 54 54 LEU HD12 H 1 0.885 0.500 . 2 . . . . . 54 LEU HD11 . 19814 1 603 . 1 1 54 54 LEU HD13 H 1 0.885 0.500 . 2 . . . . . 54 LEU HD11 . 19814 1 604 . 1 1 54 54 LEU HD21 H 1 0.798 0.500 . 2 . . . . . 54 LEU HD21 . 19814 1 605 . 1 1 54 54 LEU HD22 H 1 0.798 0.500 . 2 . . . . . 54 LEU HD21 . 19814 1 606 . 1 1 54 54 LEU HD23 H 1 0.798 0.500 . 2 . . . . . 54 LEU HD21 . 19814 1 607 . 1 1 54 54 LEU C C 13 176.712 0.300 . 1 . . . . . 54 LEU C . 19814 1 608 . 1 1 54 54 LEU CA C 13 55.031 0.300 . 1 . . . . . 54 LEU CA . 19814 1 609 . 1 1 54 54 LEU CB C 13 42.384 0.300 . 1 . . . . . 54 LEU CB . 19814 1 610 . 1 1 54 54 LEU CG C 13 26.550 0.300 . 1 . . . . . 54 LEU CG . 19814 1 611 . 1 1 54 54 LEU CD1 C 13 24.462 0.300 . 1 . . . . . 54 LEU CD1 . 19814 1 612 . 1 1 54 54 LEU CD2 C 13 22.915 0.300 . 1 . . . . . 54 LEU CD2 . 19814 1 613 . 1 1 54 54 LEU N N 15 122.246 0.000 . 1 . . . . . 54 LEU N . 19814 1 614 . 1 1 55 55 ASN H H 1 8.400 0.500 . 1 . . . . . 55 ASN HN . 19814 1 615 . 1 1 55 55 ASN HA H 1 4.944 0.500 . 1 . . . . . 55 ASN HA . 19814 1 616 . 1 1 55 55 ASN HB2 H 1 2.798 0.500 . 2 . . . . . 55 ASN HB1 . 19814 1 617 . 1 1 55 55 ASN HB3 H 1 2.629 0.500 . 2 . . . . . 55 ASN HB2 . 19814 1 618 . 1 1 55 55 ASN C C 13 174.178 0.300 . 1 . . . . . 55 ASN C . 19814 1 619 . 1 1 55 55 ASN CA C 13 51.286 0.300 . 1 . . . . . 55 ASN CA . 19814 1 620 . 1 1 55 55 ASN CB C 13 38.738 0.300 . 1 . . . . . 55 ASN CB . 19814 1 621 . 1 1 55 55 ASN N N 15 119.892 0.000 . 1 . . . . . 55 ASN N . 19814 1 622 . 1 1 56 56 PRO HA H 1 4.437 0.500 . 1 . . . . . 56 PRO HA . 19814 1 623 . 1 1 56 56 PRO HB2 H 1 2.287 0.500 . 2 . . . . . 56 PRO HB1 . 19814 1 624 . 1 1 56 56 PRO HB3 H 1 2.287 0.500 . 2 . . . . . 56 PRO HB2 . 19814 1 625 . 1 1 56 56 PRO HG2 H 1 1.998 0.500 . 2 . . . . . 56 PRO HG1 . 19814 1 626 . 1 1 56 56 PRO HG3 H 1 1.998 0.500 . 2 . . . . . 56 PRO HG2 . 19814 1 627 . 1 1 56 56 PRO HD2 H 1 3.687 0.500 . 2 . . . . . 56 PRO HD1 . 19814 1 628 . 1 1 56 56 PRO HD3 H 1 3.687 0.500 . 2 . . . . . 56 PRO HD2 . 19814 1 629 . 1 1 56 56 PRO C C 13 176.919 0.300 . 1 . . . . . 56 PRO C . 19814 1 630 . 1 1 56 56 PRO CA C 13 63.238 0.300 . 1 . . . . . 56 PRO CA . 19814 1 631 . 1 1 56 56 PRO CB C 13 32.085 0.300 . 1 . . . . . 56 PRO CB . 19814 1 632 . 1 1 56 56 PRO CG C 13 26.898 0.300 . 1 . . . . . 56 PRO CG . 19814 1 633 . 1 1 56 56 PRO CD C 13 50.677 0.300 . 1 . . . . . 56 PRO CD . 19814 1 634 . 1 1 57 57 SER H H 1 8.540 0.500 . 1 . . . . . 57 SER HN . 19814 1 635 . 1 1 57 57 SER HA H 1 4.448 0.500 . 1 . . . . . 57 SER HA . 19814 1 636 . 1 1 57 57 SER HB2 H 1 3.879 0.500 . 2 . . . . . 57 SER HB1 . 19814 1 637 . 1 1 57 57 SER HB3 H 1 3.879 0.500 . 2 . . . . . 57 SER HB2 . 19814 1 638 . 1 1 57 57 SER C C 13 173.588 0.300 . 1 . . . . . 57 SER C . 19814 1 639 . 1 1 57 57 SER CA C 13 58.336 0.300 . 1 . . . . . 57 SER CA . 19814 1 640 . 1 1 57 57 SER CB C 13 63.794 0.300 . 1 . . . . . 57 SER CB . 19814 1 641 . 1 1 57 57 SER N N 15 116.532 0.000 . 1 . . . . . 57 SER N . 19814 1 642 . 1 1 58 58 CYS H H 1 8.014 0.500 . 1 . . . . . 58 CYS HN . 19814 1 643 . 1 1 58 58 CYS HA H 1 4.361 0.500 . 1 . . . . . 58 CYS HA . 19814 1 644 . 1 1 58 58 CYS HB2 H 1 2.910 0.500 . 2 . . . . . 58 CYS HB1 . 19814 1 645 . 1 1 58 58 CYS HB3 H 1 2.910 0.500 . 2 . . . . . 58 CYS HB2 . 19814 1 646 . 1 1 58 58 CYS C C 13 178.649 0.300 . 1 . . . . . 58 CYS C . 19814 1 647 . 1 1 58 58 CYS CA C 13 59.441 0.300 . 1 . . . . . 58 CYS CA . 19814 1 648 . 1 1 58 58 CYS CB C 13 28.706 0.300 . 1 . . . . . 58 CYS CB . 19814 1 649 . 1 1 58 58 CYS N N 15 124.830 0.000 . 1 . . . . . 58 CYS N . 19814 1 stop_ save_