data_16354 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16354 _Entry.Title ; NMR solution structure of the N terminal domain of subunit E (E1-52) of A1AO ATP synthase from Methanocaldococcus jannaschii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-16 _Entry.Accession_date 2009-06-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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.Entry_ID 1 Shovanlal Gayen . . . 16354 2 Asha Balakrishna . . . 16354 3 Gerhard Gruber . . . 16354 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16354 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 155 16354 '15N chemical shifts' 52 16354 '1H chemical shifts' 377 16354 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-02-03 2009-06-16 update BMRB 'complete entry citation' 16354 1 . . 2009-09-29 2009-06-16 original author 'original release' 16354 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KK7 'BMRB Entry Tracking System' 16354 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16354 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19760172 _Citation.Full_citation . _Citation.Title 'NMR solution structure of the N-terminal domain of subunit E (E1-52) of A1AO ATP synthase from Methanocaldococcus jannaschii.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bioenerg. Biomembr.' _Citation.Journal_name_full 'Journal of bioenergetics and biomembranes' _Citation.Journal_volume 41 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 343 _Citation.Page_last 348 _Citation.Year 2009 _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.Entry_ID _Citation_author.Citation_ID 1 Shovanlal Gayen . . . 16354 1 2 Asha Balakrishna . M. . 16354 1 3 Gerhard Gruber . . . 16354 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'A1AO ATP synthase' 16354 1 archaea 16354 1 'ATP synthase' 16354 1 'Methanocaldococcus jannaschii' 16354 1 NMR 16354 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16354 _Assembly.ID 1 _Assembly.Name 'A1AO ATP synthase' _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 'E subunit' 1 $E(1-52) A . yes native no no . . . 16354 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E(1-52) _Entity.Sf_category entity _Entity.Sf_framecode E(1-52) _Entity.Entry_ID 16354 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name E(1-52) _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 ; MAVKLMGVDKIKSKILDDAK AEANKIISEAEAEKAKILEK AKEEAEKRKAEI ; _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 52 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KK7 . "Nmr Solution Structure Of The N Terminal Domain Of Subunit E (E1-52) Of A1ao Atp Synthase From Methanocaldococcus Jannaschii" . . . . . 100.00 52 100.00 100.00 6.87e-22 . . . . 16354 1 2 no GB AAB98203 . "H+-transporting ATP synthase, subunit E (atpE) [Methanocaldococcus jannaschii DSM 2661]" . . . . . 96.15 206 98.00 100.00 1.37e-18 . . . . 16354 1 3 no GB AIJ06424 . "V-type ATP synthase subunit E [Methanocaldococcus sp. JH146]" . . . . . 90.38 203 97.87 100.00 1.36e-16 . . . . 16354 1 4 no REF WP_048202497 . "ATP synthase subunit E [Methanocaldococcus sp. JH146]" . . . . . 90.38 203 97.87 100.00 1.36e-16 . . . . 16354 1 5 no SP Q57673 . "RecName: Full=V-type ATP synthase subunit E; AltName: Full=V-ATPase subunit E" . . . . . 96.15 206 98.00 100.00 1.37e-18 . . . . 16354 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16354 1 2 . ALA . 16354 1 3 . VAL . 16354 1 4 . LYS . 16354 1 5 . LEU . 16354 1 6 . MET . 16354 1 7 . GLY . 16354 1 8 . VAL . 16354 1 9 . ASP . 16354 1 10 . LYS . 16354 1 11 . ILE . 16354 1 12 . LYS . 16354 1 13 . SER . 16354 1 14 . LYS . 16354 1 15 . ILE . 16354 1 16 . LEU . 16354 1 17 . ASP . 16354 1 18 . ASP . 16354 1 19 . ALA . 16354 1 20 . LYS . 16354 1 21 . ALA . 16354 1 22 . GLU . 16354 1 23 . ALA . 16354 1 24 . ASN . 16354 1 25 . LYS . 16354 1 26 . ILE . 16354 1 27 . ILE . 16354 1 28 . SER . 16354 1 29 . GLU . 16354 1 30 . ALA . 16354 1 31 . GLU . 16354 1 32 . ALA . 16354 1 33 . GLU . 16354 1 34 . LYS . 16354 1 35 . ALA . 16354 1 36 . LYS . 16354 1 37 . ILE . 16354 1 38 . LEU . 16354 1 39 . GLU . 16354 1 40 . LYS . 16354 1 41 . ALA . 16354 1 42 . LYS . 16354 1 43 . GLU . 16354 1 44 . GLU . 16354 1 45 . ALA . 16354 1 46 . GLU . 16354 1 47 . LYS . 16354 1 48 . ARG . 16354 1 49 . LYS . 16354 1 50 . ALA . 16354 1 51 . GLU . 16354 1 52 . ILE . 16354 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16354 1 . ALA 2 2 16354 1 . VAL 3 3 16354 1 . LYS 4 4 16354 1 . LEU 5 5 16354 1 . MET 6 6 16354 1 . GLY 7 7 16354 1 . VAL 8 8 16354 1 . ASP 9 9 16354 1 . LYS 10 10 16354 1 . ILE 11 11 16354 1 . LYS 12 12 16354 1 . SER 13 13 16354 1 . LYS 14 14 16354 1 . ILE 15 15 16354 1 . LEU 16 16 16354 1 . ASP 17 17 16354 1 . ASP 18 18 16354 1 . ALA 19 19 16354 1 . LYS 20 20 16354 1 . ALA 21 21 16354 1 . GLU 22 22 16354 1 . ALA 23 23 16354 1 . ASN 24 24 16354 1 . LYS 25 25 16354 1 . ILE 26 26 16354 1 . ILE 27 27 16354 1 . SER 28 28 16354 1 . GLU 29 29 16354 1 . ALA 30 30 16354 1 . GLU 31 31 16354 1 . ALA 32 32 16354 1 . GLU 33 33 16354 1 . LYS 34 34 16354 1 . ALA 35 35 16354 1 . LYS 36 36 16354 1 . ILE 37 37 16354 1 . LEU 38 38 16354 1 . GLU 39 39 16354 1 . LYS 40 40 16354 1 . ALA 41 41 16354 1 . LYS 42 42 16354 1 . GLU 43 43 16354 1 . GLU 44 44 16354 1 . ALA 45 45 16354 1 . GLU 46 46 16354 1 . LYS 47 47 16354 1 . ARG 48 48 16354 1 . LYS 49 49 16354 1 . ALA 50 50 16354 1 . GLU 51 51 16354 1 . ILE 52 52 16354 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 16354 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $E(1-52) . 2190 organism . 'Methanococcus jannaschii' 'Methanococcus jannaschii' . . Archaea . Methanococcus jannaschii . . . . . . . . . . . . . . . . . . . . . 16354 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 16354 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $E(1-52) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21 . . . . . . . . . . . . . . . pET9d . . . . . . 16354 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16354 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '90% H2O / 10% D2O containing 25 mM NaH2PO4/Na2HPO4/ (pH 6.5) and 0.1% NaN3 in 60 % TFE.' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16354 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16354 1 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 16354 1 4 TFE 'natural abundance' . . . . . . 60 . . % . . . . 16354 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16354 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 16354 _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' 0 . mM 16354 1 pH 6.5 . pH 16354 1 pressure 1 . atm 16354 1 temperature 308 . K 16354 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16354 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P.GUNTERT ET AL.' . . 16354 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16354 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16354 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16354 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16354 2 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16354 _Software.ID 3 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16354 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16354 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16354 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16354 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16354 4 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 16354 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 16354 _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 Bruker Avance . 600 . . . 16354 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 16354 _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 . . . . . . . . . . . . . . . . 16354 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16354 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16354 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16354 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16354 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_DSS _Chem_shift_reference.Entry_ID 16354 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16354 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16354 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16354 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 16354 _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_DSS _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 3 '3D HNCACB' . . . 16354 1 4 '3D HNCO' . . . 16354 1 5 '3D 1H-15N NOESY' . . . 16354 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 9.714 0.020 . 1 . . . . 1 MET H . 16354 1 2 . 1 1 1 1 MET HA H 1 4.455 0.020 . 1 . . . . 1 MET HA . 16354 1 3 . 1 1 1 1 MET HB2 H 1 2.135 0.020 . 2 . . . . 1 MET HB2 . 16354 1 4 . 1 1 1 1 MET HB3 H 1 2.135 0.020 . 2 . . . . 1 MET HB3 . 16354 1 5 . 1 1 1 1 MET HG2 H 1 2.609 0.020 . 2 . . . . 1 MET HG2 . 16354 1 6 . 1 1 1 1 MET HG3 H 1 2.609 0.020 . 2 . . . . 1 MET HG3 . 16354 1 7 . 1 1 1 1 MET C C 13 177.900 0.400 . 1 . . . . 1 MET C . 16354 1 8 . 1 1 1 1 MET CA C 13 57.020 0.400 . 1 . . . . 1 MET CA . 16354 1 9 . 1 1 1 1 MET CB C 13 31.410 0.400 . 1 . . . . 1 MET CB . 16354 1 10 . 1 1 1 1 MET N N 15 121.448 0.400 . 1 . . . . 1 MET N . 16354 1 11 . 1 1 2 2 ALA H H 1 7.905 0.020 . 1 . . . . 2 ALA H . 16354 1 12 . 1 1 2 2 ALA HA H 1 4.072 0.020 . 1 . . . . 2 ALA HA . 16354 1 13 . 1 1 2 2 ALA HB1 H 1 1.506 0.020 . 1 . . . . 2 ALA MB . 16354 1 14 . 1 1 2 2 ALA HB2 H 1 1.506 0.020 . 1 . . . . 2 ALA MB . 16354 1 15 . 1 1 2 2 ALA HB3 H 1 1.506 0.020 . 1 . . . . 2 ALA MB . 16354 1 16 . 1 1 2 2 ALA C C 13 179.200 0.400 . 1 . . . . 2 ALA C . 16354 1 17 . 1 1 2 2 ALA CA C 13 55.420 0.400 . 1 . . . . 2 ALA CA . 16354 1 18 . 1 1 2 2 ALA CB C 13 17.460 0.400 . 1 . . . . 2 ALA CB . 16354 1 19 . 1 1 2 2 ALA N N 15 121.462 0.400 . 1 . . . . 2 ALA N . 16354 1 20 . 1 1 3 3 VAL H H 1 7.612 0.020 . 1 . . . . 3 VAL H . 16354 1 21 . 1 1 3 3 VAL HA H 1 3.722 0.020 . 1 . . . . 3 VAL HA . 16354 1 22 . 1 1 3 3 VAL HB H 1 2.139 0.020 . 1 . . . . 3 VAL HB . 16354 1 23 . 1 1 3 3 VAL HG11 H 1 0.962 0.020 . 2 . . . . 3 VAL MG1 . 16354 1 24 . 1 1 3 3 VAL HG12 H 1 0.962 0.020 . 2 . . . . 3 VAL MG1 . 16354 1 25 . 1 1 3 3 VAL HG13 H 1 0.962 0.020 . 2 . . . . 3 VAL MG1 . 16354 1 26 . 1 1 3 3 VAL HG21 H 1 0.962 0.020 . 2 . . . . 3 VAL MG2 . 16354 1 27 . 1 1 3 3 VAL HG22 H 1 0.962 0.020 . 2 . . . . 3 VAL MG2 . 16354 1 28 . 1 1 3 3 VAL HG23 H 1 0.962 0.020 . 2 . . . . 3 VAL MG2 . 16354 1 29 . 1 1 3 3 VAL C C 13 179.200 0.400 . 1 . . . . 3 VAL C . 16354 1 30 . 1 1 3 3 VAL CA C 13 65.420 0.400 . 1 . . . . 3 VAL CA . 16354 1 31 . 1 1 3 3 VAL CB C 13 31.260 0.400 . 1 . . . . 3 VAL CB . 16354 1 32 . 1 1 3 3 VAL N N 15 115.271 0.400 . 1 . . . . 3 VAL N . 16354 1 33 . 1 1 4 4 LYS H H 1 7.656 0.020 . 1 . . . . 4 LYS H . 16354 1 34 . 1 1 4 4 LYS HA H 1 4.135 0.020 . 1 . . . . 4 LYS HA . 16354 1 35 . 1 1 4 4 LYS HB2 H 1 1.972 0.020 . 2 . . . . 4 LYS HB2 . 16354 1 36 . 1 1 4 4 LYS HB3 H 1 1.972 0.020 . 2 . . . . 4 LYS HB3 . 16354 1 37 . 1 1 4 4 LYS HD2 H 1 1.751 0.020 . 2 . . . . 4 LYS HD2 . 16354 1 38 . 1 1 4 4 LYS HD3 H 1 1.751 0.020 . 2 . . . . 4 LYS HD3 . 16354 1 39 . 1 1 4 4 LYS HE2 H 1 2.978 0.020 . 2 . . . . 4 LYS HE2 . 16354 1 40 . 1 1 4 4 LYS HE3 H 1 2.978 0.020 . 2 . . . . 4 LYS HE3 . 16354 1 41 . 1 1 4 4 LYS HG2 H 1 1.539 0.020 . 2 . . . . 4 LYS HG2 . 16354 1 42 . 1 1 4 4 LYS HG3 H 1 1.539 0.020 . 2 . . . . 4 LYS HG3 . 16354 1 43 . 1 1 4 4 LYS C C 13 178.600 0.400 . 1 . . . . 4 LYS C . 16354 1 44 . 1 1 4 4 LYS CA C 13 58.660 0.400 . 1 . . . . 4 LYS CA . 16354 1 45 . 1 1 4 4 LYS CB C 13 31.630 0.400 . 1 . . . . 4 LYS CB . 16354 1 46 . 1 1 4 4 LYS N N 15 119.781 0.400 . 1 . . . . 4 LYS N . 16354 1 47 . 1 1 5 5 LEU H H 1 8.051 0.020 . 1 . . . . 5 LEU H . 16354 1 48 . 1 1 5 5 LEU HA H 1 4.150 0.020 . 1 . . . . 5 LEU HA . 16354 1 49 . 1 1 5 5 LEU HB2 H 1 1.805 0.020 . 2 . . . . 5 LEU HB2 . 16354 1 50 . 1 1 5 5 LEU HB3 H 1 1.805 0.020 . 2 . . . . 5 LEU HB3 . 16354 1 51 . 1 1 5 5 LEU HD11 H 1 1.008 0.020 . 2 . . . . 5 LEU MD1 . 16354 1 52 . 1 1 5 5 LEU HD12 H 1 1.008 0.020 . 2 . . . . 5 LEU MD1 . 16354 1 53 . 1 1 5 5 LEU HD13 H 1 1.008 0.020 . 2 . . . . 5 LEU MD1 . 16354 1 54 . 1 1 5 5 LEU HD21 H 1 0.843 0.020 . 2 . . . . 5 LEU MD2 . 16354 1 55 . 1 1 5 5 LEU HD22 H 1 0.843 0.020 . 2 . . . . 5 LEU MD2 . 16354 1 56 . 1 1 5 5 LEU HD23 H 1 0.843 0.020 . 2 . . . . 5 LEU MD2 . 16354 1 57 . 1 1 5 5 LEU C C 13 179.200 0.400 . 1 . . . . 5 LEU C . 16354 1 58 . 1 1 5 5 LEU CA C 13 57.160 0.400 . 1 . . . . 5 LEU CA . 16354 1 59 . 1 1 5 5 LEU CB C 13 41.450 0.400 . 1 . . . . 5 LEU CB . 16354 1 60 . 1 1 6 6 MET H H 1 8.081 0.020 . 1 . . . . 6 MET H . 16354 1 61 . 1 1 6 6 MET HA H 1 4.315 0.020 . 1 . . . . 6 MET HA . 16354 1 62 . 1 1 6 6 MET HB2 H 1 2.174 0.020 . 2 . . . . 6 MET HB2 . 16354 1 63 . 1 1 6 6 MET HB3 H 1 2.174 0.020 . 2 . . . . 6 MET HB3 . 16354 1 64 . 1 1 6 6 MET HG2 H 1 2.722 0.020 . 2 . . . . 6 MET HG2 . 16354 1 65 . 1 1 6 6 MET HG3 H 1 2.572 0.020 . 2 . . . . 6 MET HG3 . 16354 1 66 . 1 1 6 6 MET C C 13 177.900 0.400 . 1 . . . . 6 MET C . 16354 1 67 . 1 1 6 6 MET CA C 13 57.400 0.400 . 1 . . . . 6 MET CA . 16354 1 68 . 1 1 6 6 MET CB C 13 32.380 0.400 . 1 . . . . 6 MET CB . 16354 1 69 . 1 1 6 6 MET N N 15 117.170 0.400 . 1 . . . . 6 MET N . 16354 1 70 . 1 1 7 7 GLY H H 1 7.987 0.020 . 1 . . . . 7 GLY H . 16354 1 71 . 1 1 7 7 GLY HA2 H 1 3.995 0.020 . 2 . . . . 7 GLY HA2 . 16354 1 72 . 1 1 7 7 GLY HA3 H 1 3.995 0.020 . 2 . . . . 7 GLY HA3 . 16354 1 73 . 1 1 7 7 GLY C C 13 175.700 0.400 . 1 . . . . 7 GLY C . 16354 1 74 . 1 1 7 7 GLY CA C 13 46.050 0.400 . 1 . . . . 7 GLY CA . 16354 1 75 . 1 1 7 7 GLY N N 15 107.082 0.400 . 1 . . . . 7 GLY N . 16354 1 76 . 1 1 8 8 VAL H H 1 7.928 0.020 . 1 . . . . 8 VAL H . 16354 1 77 . 1 1 8 8 VAL HA H 1 3.807 0.020 . 1 . . . . 8 VAL HA . 16354 1 78 . 1 1 8 8 VAL HB H 1 2.204 0.020 . 1 . . . . 8 VAL HB . 16354 1 79 . 1 1 8 8 VAL HG11 H 1 1.029 0.020 . 2 . . . . 8 VAL MG1 . 16354 1 80 . 1 1 8 8 VAL HG12 H 1 1.029 0.020 . 2 . . . . 8 VAL MG1 . 16354 1 81 . 1 1 8 8 VAL HG13 H 1 1.029 0.020 . 2 . . . . 8 VAL MG1 . 16354 1 82 . 1 1 8 8 VAL HG21 H 1 1.029 0.020 . 2 . . . . 8 VAL MG2 . 16354 1 83 . 1 1 8 8 VAL HG22 H 1 1.029 0.020 . 2 . . . . 8 VAL MG2 . 16354 1 84 . 1 1 8 8 VAL HG23 H 1 1.029 0.020 . 2 . . . . 8 VAL MG2 . 16354 1 85 . 1 1 8 8 VAL C C 13 179.200 0.400 . 1 . . . . 8 VAL C . 16354 1 86 . 1 1 8 8 VAL CA C 13 65.270 0.400 . 1 . . . . 8 VAL CA . 16354 1 87 . 1 1 8 8 VAL CB C 13 31.190 0.400 . 1 . . . . 8 VAL CB . 16354 1 88 . 1 1 8 8 VAL N N 15 120.229 0.400 . 1 . . . . 8 VAL N . 16354 1 89 . 1 1 9 9 ASP H H 1 8.260 0.020 . 1 . . . . 9 ASP H . 16354 1 90 . 1 1 9 9 ASP HA H 1 4.415 0.020 . 1 . . . . 9 ASP HA . 16354 1 91 . 1 1 9 9 ASP HB2 H 1 2.726 0.020 . 2 . . . . 9 ASP HB2 . 16354 1 92 . 1 1 9 9 ASP HB3 H 1 2.726 0.020 . 2 . . . . 9 ASP HB3 . 16354 1 93 . 1 1 9 9 ASP C C 13 179.300 0.400 . 1 . . . . 9 ASP C . 16354 1 94 . 1 1 9 9 ASP CA C 13 56.950 0.400 . 1 . . . . 9 ASP CA . 16354 1 95 . 1 1 9 9 ASP CB C 13 40.240 0.400 . 1 . . . . 9 ASP CB . 16354 1 96 . 1 1 9 9 ASP N N 15 119.778 0.400 . 1 . . . . 9 ASP N . 16354 1 97 . 1 1 10 10 LYS H H 1 7.901 0.020 . 1 . . . . 10 LYS H . 16354 1 98 . 1 1 10 10 LYS HA H 1 4.133 0.020 . 1 . . . . 10 LYS HA . 16354 1 99 . 1 1 10 10 LYS HB2 H 1 1.983 0.020 . 2 . . . . 10 LYS HB2 . 16354 1 100 . 1 1 10 10 LYS HB3 H 1 1.983 0.020 . 2 . . . . 10 LYS HB3 . 16354 1 101 . 1 1 10 10 LYS HD2 H 1 1.692 0.020 . 2 . . . . 10 LYS HD2 . 16354 1 102 . 1 1 10 10 LYS HD3 H 1 1.692 0.020 . 2 . . . . 10 LYS HD3 . 16354 1 103 . 1 1 10 10 LYS HE2 H 1 2.977 0.020 . 2 . . . . 10 LYS HE2 . 16354 1 104 . 1 1 10 10 LYS HE3 H 1 2.977 0.020 . 2 . . . . 10 LYS HE3 . 16354 1 105 . 1 1 10 10 LYS HG2 H 1 1.542 0.020 . 2 . . . . 10 LYS HG2 . 16354 1 106 . 1 1 10 10 LYS HG3 H 1 1.542 0.020 . 2 . . . . 10 LYS HG3 . 16354 1 107 . 1 1 10 10 LYS C C 13 178.600 0.400 . 1 . . . . 10 LYS C . 16354 1 108 . 1 1 10 10 LYS CA C 13 59.870 0.400 . 1 . . . . 10 LYS CA . 16354 1 109 . 1 1 10 10 LYS CB C 13 31.780 0.400 . 1 . . . . 10 LYS CB . 16354 1 110 . 1 1 10 10 LYS N N 15 119.866 0.400 . 1 . . . . 10 LYS N . 16354 1 111 . 1 1 11 11 ILE H H 1 7.778 0.020 . 1 . . . . 11 ILE H . 16354 1 112 . 1 1 11 11 ILE HA H 1 3.837 0.020 . 1 . . . . 11 ILE HA . 16354 1 113 . 1 1 11 11 ILE HB H 1 2.005 0.020 . 1 . . . . 11 ILE HB . 16354 1 114 . 1 1 11 11 ILE HD11 H 1 0.917 0.020 . 1 . . . . 11 ILE MD . 16354 1 115 . 1 1 11 11 ILE HD12 H 1 0.917 0.020 . 1 . . . . 11 ILE MD . 16354 1 116 . 1 1 11 11 ILE HD13 H 1 0.917 0.020 . 1 . . . . 11 ILE MD . 16354 1 117 . 1 1 11 11 ILE HG12 H 1 1.660 0.020 . 2 . . . . 11 ILE HG12 . 16354 1 118 . 1 1 11 11 ILE HG13 H 1 1.660 0.020 . 2 . . . . 11 ILE HG13 . 16354 1 119 . 1 1 11 11 ILE HG21 H 1 1.188 0.020 . 1 . . . . 11 ILE MG . 16354 1 120 . 1 1 11 11 ILE HG22 H 1 1.188 0.020 . 1 . . . . 11 ILE MG . 16354 1 121 . 1 1 11 11 ILE HG23 H 1 1.188 0.020 . 1 . . . . 11 ILE MG . 16354 1 122 . 1 1 11 11 ILE C C 13 179.000 0.400 . 1 . . . . 11 ILE C . 16354 1 123 . 1 1 11 11 ILE CA C 13 64.300 0.400 . 1 . . . . 11 ILE CA . 16354 1 124 . 1 1 11 11 ILE CB C 13 37.140 0.400 . 1 . . . . 11 ILE CB . 16354 1 125 . 1 1 11 11 ILE N N 15 120.208 0.400 . 1 . . . . 11 ILE N . 16354 1 126 . 1 1 12 12 LYS H H 1 8.311 0.020 . 1 . . . . 12 LYS H . 16354 1 127 . 1 1 12 12 LYS HA H 1 3.964 0.020 . 1 . . . . 12 LYS HA . 16354 1 128 . 1 1 12 12 LYS HB2 H 1 1.934 0.020 . 2 . . . . 12 LYS HB2 . 16354 1 129 . 1 1 12 12 LYS HB3 H 1 1.934 0.020 . 2 . . . . 12 LYS HB3 . 16354 1 130 . 1 1 12 12 LYS HD2 H 1 1.642 0.020 . 2 . . . . 12 LYS HD2 . 16354 1 131 . 1 1 12 12 LYS HD3 H 1 1.642 0.020 . 2 . . . . 12 LYS HD3 . 16354 1 132 . 1 1 12 12 LYS HE2 H 1 2.933 0.020 . 2 . . . . 12 LYS HE2 . 16354 1 133 . 1 1 12 12 LYS HE3 H 1 2.933 0.020 . 2 . . . . 12 LYS HE3 . 16354 1 134 . 1 1 12 12 LYS HG2 H 1 1.433 0.020 . 2 . . . . 12 LYS HG2 . 16354 1 135 . 1 1 12 12 LYS HG3 H 1 1.433 0.020 . 2 . . . . 12 LYS HG3 . 16354 1 136 . 1 1 12 12 LYS C C 13 178.600 0.400 . 1 . . . . 12 LYS C . 16354 1 137 . 1 1 12 12 LYS CA C 13 59.870 0.400 . 1 . . . . 12 LYS CA . 16354 1 138 . 1 1 12 12 LYS CB C 13 31.780 0.400 . 1 . . . . 12 LYS CB . 16354 1 139 . 1 1 12 12 LYS N N 15 119.425 0.400 . 1 . . . . 12 LYS N . 16354 1 140 . 1 1 13 13 SER H H 1 7.964 0.020 . 1 . . . . 13 SER H . 16354 1 141 . 1 1 13 13 SER HA H 1 4.154 0.020 . 1 . . . . 13 SER HA . 16354 1 142 . 1 1 13 13 SER HB2 H 1 4.006 0.020 . 2 . . . . 13 SER HB2 . 16354 1 143 . 1 1 13 13 SER HB3 H 1 4.006 0.020 . 2 . . . . 13 SER HB3 . 16354 1 144 . 1 1 13 13 SER C C 13 175.800 0.400 . 1 . . . . 13 SER C . 16354 1 145 . 1 1 13 13 SER CA C 13 61.320 0.400 . 1 . . . . 13 SER CA . 16354 1 146 . 1 1 13 13 SER CB C 13 62.540 0.400 . 1 . . . . 13 SER CB . 16354 1 147 . 1 1 13 13 SER N N 15 112.107 0.400 . 1 . . . . 13 SER N . 16354 1 148 . 1 1 14 14 LYS H H 1 7.681 0.020 . 1 . . . . 14 LYS H . 16354 1 149 . 1 1 14 14 LYS HA H 1 4.205 0.020 . 1 . . . . 14 LYS HA . 16354 1 150 . 1 1 14 14 LYS HB2 H 1 1.973 0.020 . 2 . . . . 14 LYS HB2 . 16354 1 151 . 1 1 14 14 LYS HB3 H 1 1.973 0.020 . 2 . . . . 14 LYS HB3 . 16354 1 152 . 1 1 14 14 LYS HD2 H 1 1.755 0.020 . 2 . . . . 14 LYS HD2 . 16354 1 153 . 1 1 14 14 LYS HD3 H 1 1.755 0.020 . 2 . . . . 14 LYS HD3 . 16354 1 154 . 1 1 14 14 LYS HE2 H 1 2.956 0.020 . 2 . . . . 14 LYS HE2 . 16354 1 155 . 1 1 14 14 LYS HE3 H 1 2.738 0.020 . 2 . . . . 14 LYS HE3 . 16354 1 156 . 1 1 14 14 LYS HG2 H 1 1.547 0.020 . 2 . . . . 14 LYS HG2 . 16354 1 157 . 1 1 14 14 LYS HG3 H 1 1.547 0.020 . 2 . . . . 14 LYS HG3 . 16354 1 158 . 1 1 14 14 LYS C C 13 178.600 0.400 . 1 . . . . 14 LYS C . 16354 1 159 . 1 1 14 14 LYS CA C 13 58.750 0.400 . 1 . . . . 14 LYS CA . 16354 1 160 . 1 1 14 14 LYS CB C 13 31.590 0.400 . 1 . . . . 14 LYS CB . 16354 1 161 . 1 1 14 14 LYS N N 15 123.289 0.400 . 1 . . . . 14 LYS N . 16354 1 162 . 1 1 15 15 ILE H H 1 8.163 0.020 . 1 . . . . 15 ILE H . 16354 1 163 . 1 1 15 15 ILE HA H 1 3.813 0.020 . 1 . . . . 15 ILE HA . 16354 1 164 . 1 1 15 15 ILE HB H 1 1.976 0.020 . 1 . . . . 15 ILE HB . 16354 1 165 . 1 1 15 15 ILE HD11 H 1 0.907 0.020 . 1 . . . . 15 ILE MD . 16354 1 166 . 1 1 15 15 ILE HD12 H 1 0.907 0.020 . 1 . . . . 15 ILE MD . 16354 1 167 . 1 1 15 15 ILE HD13 H 1 0.907 0.020 . 1 . . . . 15 ILE MD . 16354 1 168 . 1 1 15 15 ILE HG21 H 1 1.174 0.020 . 1 . . . . 15 ILE MG . 16354 1 169 . 1 1 15 15 ILE HG22 H 1 1.174 0.020 . 1 . . . . 15 ILE MG . 16354 1 170 . 1 1 15 15 ILE HG23 H 1 1.174 0.020 . 1 . . . . 15 ILE MG . 16354 1 171 . 1 1 15 15 ILE C C 13 179.000 0.400 . 1 . . . . 15 ILE C . 16354 1 172 . 1 1 15 15 ILE CA C 13 64.780 0.400 . 1 . . . . 15 ILE CA . 16354 1 173 . 1 1 15 15 ILE CB C 13 37.300 0.400 . 1 . . . . 15 ILE CB . 16354 1 174 . 1 1 15 15 ILE N N 15 119.789 0.400 . 1 . . . . 15 ILE N . 16354 1 175 . 1 1 16 16 LEU H H 1 8.033 0.020 . 1 . . . . 16 LEU H . 16354 1 176 . 1 1 16 16 LEU HA H 1 4.183 0.020 . 1 . . . . 16 LEU HA . 16354 1 177 . 1 1 16 16 LEU HB2 H 1 1.838 0.020 . 2 . . . . 16 LEU HB2 . 16354 1 178 . 1 1 16 16 LEU HB3 H 1 1.589 0.020 . 2 . . . . 16 LEU HB3 . 16354 1 179 . 1 1 16 16 LEU HD11 H 1 0.904 0.020 . 2 . . . . 16 LEU MD1 . 16354 1 180 . 1 1 16 16 LEU HD12 H 1 0.904 0.020 . 2 . . . . 16 LEU MD1 . 16354 1 181 . 1 1 16 16 LEU HD13 H 1 0.904 0.020 . 2 . . . . 16 LEU MD1 . 16354 1 182 . 1 1 16 16 LEU HD21 H 1 0.904 0.020 . 2 . . . . 16 LEU MD2 . 16354 1 183 . 1 1 16 16 LEU HD22 H 1 0.904 0.020 . 2 . . . . 16 LEU MD2 . 16354 1 184 . 1 1 16 16 LEU HD23 H 1 0.904 0.020 . 2 . . . . 16 LEU MD2 . 16354 1 185 . 1 1 16 16 LEU C C 13 179.200 0.400 . 1 . . . . 16 LEU C . 16354 1 186 . 1 1 16 16 LEU CA C 13 57.410 0.400 . 1 . . . . 16 LEU CA . 16354 1 187 . 1 1 16 16 LEU CB C 13 41.260 0.400 . 1 . . . . 16 LEU CB . 16354 1 188 . 1 1 16 16 LEU N N 15 119.388 0.400 . 1 . . . . 16 LEU N . 16354 1 189 . 1 1 17 17 ASP H H 1 8.210 0.020 . 1 . . . . 17 ASP H . 16354 1 190 . 1 1 17 17 ASP HA H 1 4.495 0.020 . 1 . . . . 17 ASP HA . 16354 1 191 . 1 1 17 17 ASP HB2 H 1 2.939 0.020 . 2 . . . . 17 ASP HB2 . 16354 1 192 . 1 1 17 17 ASP HB3 H 1 2.760 0.020 . 2 . . . . 17 ASP HB3 . 16354 1 193 . 1 1 17 17 ASP C C 13 179.300 0.400 . 1 . . . . 17 ASP C . 16354 1 194 . 1 1 17 17 ASP CA C 13 57.440 0.400 . 1 . . . . 17 ASP CA . 16354 1 195 . 1 1 17 17 ASP CB C 13 40.470 0.400 . 1 . . . . 17 ASP CB . 16354 1 196 . 1 1 17 17 ASP N N 15 120.521 0.400 . 1 . . . . 17 ASP N . 16354 1 197 . 1 1 18 18 ASP H H 1 8.589 0.020 . 1 . . . . 18 ASP H . 16354 1 198 . 1 1 18 18 ASP HA H 1 4.501 0.020 . 1 . . . . 18 ASP HA . 16354 1 199 . 1 1 18 18 ASP HB2 H 1 2.940 0.020 . 2 . . . . 18 ASP HB2 . 16354 1 200 . 1 1 18 18 ASP HB3 H 1 2.700 0.020 . 2 . . . . 18 ASP HB3 . 16354 1 201 . 1 1 18 18 ASP C C 13 179.300 0.400 . 1 . . . . 18 ASP C . 16354 1 202 . 1 1 18 18 ASP CA C 13 57.150 0.400 . 1 . . . . 18 ASP CA . 16354 1 203 . 1 1 18 18 ASP CB C 13 39.550 0.400 . 1 . . . . 18 ASP CB . 16354 1 204 . 1 1 18 18 ASP N N 15 121.775 0.400 . 1 . . . . 18 ASP N . 16354 1 205 . 1 1 19 19 ALA H H 1 8.393 0.020 . 1 . . . . 19 ALA H . 16354 1 206 . 1 1 19 19 ALA HA H 1 4.196 0.020 . 1 . . . . 19 ALA HA . 16354 1 207 . 1 1 19 19 ALA HB1 H 1 1.560 0.020 . 1 . . . . 19 ALA MB . 16354 1 208 . 1 1 19 19 ALA HB2 H 1 1.560 0.020 . 1 . . . . 19 ALA MB . 16354 1 209 . 1 1 19 19 ALA HB3 H 1 1.560 0.020 . 1 . . . . 19 ALA MB . 16354 1 210 . 1 1 19 19 ALA C C 13 179.200 0.400 . 1 . . . . 19 ALA C . 16354 1 211 . 1 1 19 19 ALA CA C 13 54.970 0.400 . 1 . . . . 19 ALA CA . 16354 1 212 . 1 1 19 19 ALA CB C 13 17.040 0.400 . 1 . . . . 19 ALA CB . 16354 1 213 . 1 1 19 19 ALA N N 15 123.962 0.400 . 1 . . . . 19 ALA N . 16354 1 214 . 1 1 20 20 LYS H H 1 8.277 0.020 . 1 . . . . 20 LYS H . 16354 1 215 . 1 1 20 20 LYS HA H 1 4.041 0.020 . 1 . . . . 20 LYS HA . 16354 1 216 . 1 1 20 20 LYS HB2 H 1 1.983 0.020 . 2 . . . . 20 LYS HB2 . 16354 1 217 . 1 1 20 20 LYS HB3 H 1 1.983 0.020 . 2 . . . . 20 LYS HB3 . 16354 1 218 . 1 1 20 20 LYS HD2 H 1 1.709 0.020 . 2 . . . . 20 LYS HD2 . 16354 1 219 . 1 1 20 20 LYS HD3 H 1 1.709 0.020 . 2 . . . . 20 LYS HD3 . 16354 1 220 . 1 1 20 20 LYS HE2 H 1 2.940 0.020 . 2 . . . . 20 LYS HE2 . 16354 1 221 . 1 1 20 20 LYS HE3 H 1 2.940 0.020 . 2 . . . . 20 LYS HE3 . 16354 1 222 . 1 1 20 20 LYS HG2 H 1 1.543 0.020 . 2 . . . . 20 LYS HG2 . 16354 1 223 . 1 1 20 20 LYS HG3 H 1 1.543 0.020 . 2 . . . . 20 LYS HG3 . 16354 1 224 . 1 1 20 20 LYS C C 13 178.600 0.400 . 1 . . . . 20 LYS C . 16354 1 225 . 1 1 20 20 LYS CA C 13 59.300 0.400 . 1 . . . . 20 LYS CA . 16354 1 226 . 1 1 20 20 LYS CB C 13 31.820 0.400 . 1 . . . . 20 LYS CB . 16354 1 227 . 1 1 20 20 LYS N N 15 118.639 0.400 . 1 . . . . 20 LYS N . 16354 1 228 . 1 1 21 21 ALA H H 1 7.989 0.020 . 1 . . . . 21 ALA H . 16354 1 229 . 1 1 21 21 ALA HA H 1 4.193 0.020 . 1 . . . . 21 ALA HA . 16354 1 230 . 1 1 21 21 ALA HB1 H 1 1.593 0.020 . 1 . . . . 21 ALA MB . 16354 1 231 . 1 1 21 21 ALA HB2 H 1 1.593 0.020 . 1 . . . . 21 ALA MB . 16354 1 232 . 1 1 21 21 ALA HB3 H 1 1.593 0.020 . 1 . . . . 21 ALA MB . 16354 1 233 . 1 1 21 21 ALA C C 13 179.200 0.400 . 1 . . . . 21 ALA C . 16354 1 234 . 1 1 21 21 ALA CA C 13 54.910 0.400 . 1 . . . . 21 ALA CA . 16354 1 235 . 1 1 21 21 ALA CB C 13 17.410 0.400 . 1 . . . . 21 ALA CB . 16354 1 236 . 1 1 21 21 ALA N N 15 121.825 0.400 . 1 . . . . 21 ALA N . 16354 1 237 . 1 1 22 22 GLU H H 1 8.123 0.020 . 1 . . . . 22 GLU H . 16354 1 238 . 1 1 22 22 GLU HA H 1 4.166 0.020 . 1 . . . . 22 GLU HA . 16354 1 239 . 1 1 22 22 GLU HB2 H 1 2.170 0.020 . 2 . . . . 22 GLU HB2 . 16354 1 240 . 1 1 22 22 GLU HB3 H 1 2.170 0.020 . 2 . . . . 22 GLU HB3 . 16354 1 241 . 1 1 22 22 GLU HG2 H 1 2.363 0.020 . 2 . . . . 22 GLU HG2 . 16354 1 242 . 1 1 22 22 GLU HG3 H 1 2.363 0.020 . 2 . . . . 22 GLU HG3 . 16354 1 243 . 1 1 22 22 GLU C C 13 178.200 0.400 . 1 . . . . 22 GLU C . 16354 1 244 . 1 1 22 22 GLU CA C 13 58.840 0.400 . 1 . . . . 22 GLU CA . 16354 1 245 . 1 1 22 22 GLU CB C 13 28.900 0.400 . 1 . . . . 22 GLU CB . 16354 1 246 . 1 1 22 22 GLU N N 15 119.363 0.400 . 1 . . . . 22 GLU N . 16354 1 247 . 1 1 23 23 ALA H H 1 8.251 0.020 . 1 . . . . 23 ALA H . 16354 1 248 . 1 1 23 23 ALA HA H 1 4.109 0.020 . 1 . . . . 23 ALA HA . 16354 1 249 . 1 1 23 23 ALA HB1 H 1 1.511 0.020 . 1 . . . . 23 ALA MB . 16354 1 250 . 1 1 23 23 ALA HB2 H 1 1.511 0.020 . 1 . . . . 23 ALA MB . 16354 1 251 . 1 1 23 23 ALA HB3 H 1 1.511 0.020 . 1 . . . . 23 ALA MB . 16354 1 252 . 1 1 23 23 ALA C C 13 179.200 0.400 . 1 . . . . 23 ALA C . 16354 1 253 . 1 1 23 23 ALA CA C 13 55.100 0.400 . 1 . . . . 23 ALA CA . 16354 1 254 . 1 1 23 23 ALA CB C 13 16.900 0.400 . 1 . . . . 23 ALA CB . 16354 1 255 . 1 1 23 23 ALA N N 15 121.717 0.400 . 1 . . . . 23 ALA N . 16354 1 256 . 1 1 24 24 ASN H H 1 8.228 0.020 . 1 . . . . 24 ASN H . 16354 1 257 . 1 1 24 24 ASN HA H 1 4.460 0.020 . 1 . . . . 24 ASN HA . 16354 1 258 . 1 1 24 24 ASN HB2 H 1 2.873 0.020 . 2 . . . . 24 ASN HB2 . 16354 1 259 . 1 1 24 24 ASN HB3 H 1 2.873 0.020 . 2 . . . . 24 ASN HB3 . 16354 1 260 . 1 1 24 24 ASN HD21 H 1 7.477 0.020 . 2 . . . . 24 ASN HD21 . 16354 1 261 . 1 1 24 24 ASN HD22 H 1 6.671 0.020 . 2 . . . . 24 ASN HD22 . 16354 1 262 . 1 1 24 24 ASN C C 13 177.200 0.400 . 1 . . . . 24 ASN C . 16354 1 263 . 1 1 24 24 ASN CA C 13 55.760 0.400 . 1 . . . . 24 ASN CA . 16354 1 264 . 1 1 24 24 ASN CB C 13 38.330 0.400 . 1 . . . . 24 ASN CB . 16354 1 265 . 1 1 24 24 ASN N N 15 114.245 0.400 . 1 . . . . 24 ASN N . 16354 1 266 . 1 1 24 24 ASN ND2 N 15 110.540 0.400 . 1 . . . . 24 ASN ND2 . 16354 1 267 . 1 1 25 25 LYS H H 1 7.888 0.020 . 1 . . . . 25 LYS H . 16354 1 268 . 1 1 25 25 LYS HA H 1 4.102 0.020 . 1 . . . . 25 LYS HA . 16354 1 269 . 1 1 25 25 LYS HB2 H 1 2.111 0.020 . 2 . . . . 25 LYS HB2 . 16354 1 270 . 1 1 25 25 LYS HB3 H 1 2.009 0.020 . 2 . . . . 25 LYS HB3 . 16354 1 271 . 1 1 25 25 LYS HD2 H 1 1.764 0.020 . 2 . . . . 25 LYS HD2 . 16354 1 272 . 1 1 25 25 LYS HD3 H 1 1.764 0.020 . 2 . . . . 25 LYS HD3 . 16354 1 273 . 1 1 25 25 LYS HE2 H 1 2.935 0.020 . 2 . . . . 25 LYS HE2 . 16354 1 274 . 1 1 25 25 LYS HE3 H 1 2.935 0.020 . 2 . . . . 25 LYS HE3 . 16354 1 275 . 1 1 25 25 LYS HG2 H 1 1.595 0.020 . 2 . . . . 25 LYS HG2 . 16354 1 276 . 1 1 25 25 LYS HG3 H 1 1.595 0.020 . 2 . . . . 25 LYS HG3 . 16354 1 277 . 1 1 25 25 LYS C C 13 178.600 0.400 . 1 . . . . 25 LYS C . 16354 1 278 . 1 1 25 25 LYS CA C 13 59.390 0.400 . 1 . . . . 25 LYS CA . 16354 1 279 . 1 1 25 25 LYS CB C 13 31.430 0.400 . 1 . . . . 25 LYS CB . 16354 1 280 . 1 1 25 25 LYS N N 15 121.836 0.400 . 1 . . . . 25 LYS N . 16354 1 281 . 1 1 26 26 ILE H H 1 7.949 0.020 . 1 . . . . 26 ILE H . 16354 1 282 . 1 1 26 26 ILE HA H 1 3.828 0.020 . 1 . . . . 26 ILE HA . 16354 1 283 . 1 1 26 26 ILE HB H 1 2.015 0.020 . 1 . . . . 26 ILE HB . 16354 1 284 . 1 1 26 26 ILE HD11 H 1 0.938 0.020 . 1 . . . . 26 ILE MD . 16354 1 285 . 1 1 26 26 ILE HD12 H 1 0.938 0.020 . 1 . . . . 26 ILE MD . 16354 1 286 . 1 1 26 26 ILE HD13 H 1 0.938 0.020 . 1 . . . . 26 ILE MD . 16354 1 287 . 1 1 26 26 ILE HG12 H 1 1.572 0.020 . 2 . . . . 26 ILE HG12 . 16354 1 288 . 1 1 26 26 ILE HG13 H 1 1.774 0.020 . 2 . . . . 26 ILE HG13 . 16354 1 289 . 1 1 26 26 ILE HG21 H 1 1.212 0.020 . 1 . . . . 26 ILE MG . 16354 1 290 . 1 1 26 26 ILE HG22 H 1 1.212 0.020 . 1 . . . . 26 ILE MG . 16354 1 291 . 1 1 26 26 ILE HG23 H 1 1.212 0.020 . 1 . . . . 26 ILE MG . 16354 1 292 . 1 1 26 26 ILE C C 13 179.000 0.400 . 1 . . . . 26 ILE C . 16354 1 293 . 1 1 26 26 ILE CA C 13 64.310 0.400 . 1 . . . . 26 ILE CA . 16354 1 294 . 1 1 26 26 ILE CB C 13 37.420 0.400 . 1 . . . . 26 ILE CB . 16354 1 295 . 1 1 26 26 ILE N N 15 119.989 0.400 . 1 . . . . 26 ILE N . 16354 1 296 . 1 1 27 27 ILE H H 1 8.357 0.020 . 1 . . . . 27 ILE H . 16354 1 297 . 1 1 27 27 ILE HA H 1 3.827 0.020 . 1 . . . . 27 ILE HA . 16354 1 298 . 1 1 27 27 ILE HB H 1 1.948 0.020 . 1 . . . . 27 ILE HB . 16354 1 299 . 1 1 27 27 ILE HD11 H 1 0.937 0.020 . 1 . . . . 27 ILE MD . 16354 1 300 . 1 1 27 27 ILE HD12 H 1 0.937 0.020 . 1 . . . . 27 ILE MD . 16354 1 301 . 1 1 27 27 ILE HD13 H 1 0.937 0.020 . 1 . . . . 27 ILE MD . 16354 1 302 . 1 1 27 27 ILE HG12 H 1 1.564 0.020 . 2 . . . . 27 ILE HG12 . 16354 1 303 . 1 1 27 27 ILE HG13 H 1 1.779 0.020 . 2 . . . . 27 ILE HG13 . 16354 1 304 . 1 1 27 27 ILE HG21 H 1 1.208 0.020 . 1 . . . . 27 ILE MG . 16354 1 305 . 1 1 27 27 ILE HG22 H 1 1.208 0.020 . 1 . . . . 27 ILE MG . 16354 1 306 . 1 1 27 27 ILE HG23 H 1 1.208 0.020 . 1 . . . . 27 ILE MG . 16354 1 307 . 1 1 27 27 ILE C C 13 179.000 0.400 . 1 . . . . 27 ILE C . 16354 1 308 . 1 1 27 27 ILE CA C 13 64.620 0.400 . 1 . . . . 27 ILE CA . 16354 1 309 . 1 1 27 27 ILE CB C 13 37.770 0.400 . 1 . . . . 27 ILE CB . 16354 1 310 . 1 1 27 27 ILE N N 15 119.945 0.400 . 1 . . . . 27 ILE N . 16354 1 311 . 1 1 28 28 SER H H 1 8.155 0.020 . 1 . . . . 28 SER H . 16354 1 312 . 1 1 28 28 SER HA H 1 4.258 0.020 . 1 . . . . 28 SER HA . 16354 1 313 . 1 1 28 28 SER HB2 H 1 4.080 0.020 . 2 . . . . 28 SER HB2 . 16354 1 314 . 1 1 28 28 SER HB3 H 1 4.080 0.020 . 2 . . . . 28 SER HB3 . 16354 1 315 . 1 1 28 28 SER C C 13 175.800 0.400 . 1 . . . . 28 SER C . 16354 1 316 . 1 1 28 28 SER CA C 13 61.530 0.400 . 1 . . . . 28 SER CA . 16354 1 317 . 1 1 28 28 SER CB C 13 62.570 0.400 . 1 . . . . 28 SER CB . 16354 1 318 . 1 1 28 28 SER N N 15 115.157 0.400 . 1 . . . . 28 SER N . 16354 1 319 . 1 1 29 29 GLU H H 1 8.272 0.020 . 1 . . . . 29 GLU H . 16354 1 320 . 1 1 29 29 GLU HA H 1 4.164 0.020 . 1 . . . . 29 GLU HA . 16354 1 321 . 1 1 29 29 GLU HB2 H 1 2.326 0.020 . 2 . . . . 29 GLU HB2 . 16354 1 322 . 1 1 29 29 GLU HB3 H 1 2.168 0.020 . 2 . . . . 29 GLU HB3 . 16354 1 323 . 1 1 29 29 GLU HG2 H 1 2.518 0.020 . 2 . . . . 29 GLU HG2 . 16354 1 324 . 1 1 29 29 GLU HG3 H 1 2.518 0.020 . 2 . . . . 29 GLU HG3 . 16354 1 325 . 1 1 29 29 GLU C C 13 178.200 0.400 . 1 . . . . 29 GLU C . 16354 1 326 . 1 1 29 29 GLU CA C 13 59.120 0.400 . 1 . . . . 29 GLU CA . 16354 1 327 . 1 1 29 29 GLU CB C 13 28.650 0.400 . 1 . . . . 29 GLU CB . 16354 1 328 . 1 1 29 29 GLU N N 15 122.866 0.400 . 1 . . . . 29 GLU N . 16354 1 329 . 1 1 30 30 ALA H H 1 8.303 0.020 . 1 . . . . 30 ALA H . 16354 1 330 . 1 1 30 30 ALA HA H 1 4.206 0.020 . 1 . . . . 30 ALA HA . 16354 1 331 . 1 1 30 30 ALA HB1 H 1 1.578 0.020 . 1 . . . . 30 ALA MB . 16354 1 332 . 1 1 30 30 ALA HB2 H 1 1.578 0.020 . 1 . . . . 30 ALA MB . 16354 1 333 . 1 1 30 30 ALA HB3 H 1 1.578 0.020 . 1 . . . . 30 ALA MB . 16354 1 334 . 1 1 30 30 ALA C C 13 179.200 0.400 . 1 . . . . 30 ALA C . 16354 1 335 . 1 1 30 30 ALA CA C 13 55.120 0.400 . 1 . . . . 30 ALA CA . 16354 1 336 . 1 1 30 30 ALA CB C 13 17.180 0.400 . 1 . . . . 30 ALA CB . 16354 1 337 . 1 1 30 30 ALA N N 15 123.088 0.400 . 1 . . . . 30 ALA N . 16354 1 338 . 1 1 31 31 GLU H H 1 8.439 0.020 . 1 . . . . 31 GLU H . 16354 1 339 . 1 1 31 31 GLU HA H 1 4.108 0.020 . 1 . . . . 31 GLU HA . 16354 1 340 . 1 1 31 31 GLU HB2 H 1 2.176 0.020 . 2 . . . . 31 GLU HB2 . 16354 1 341 . 1 1 31 31 GLU HB3 H 1 2.176 0.020 . 2 . . . . 31 GLU HB3 . 16354 1 342 . 1 1 31 31 GLU HG2 H 1 2.401 0.020 . 2 . . . . 31 GLU HG2 . 16354 1 343 . 1 1 31 31 GLU HG3 H 1 2.401 0.020 . 2 . . . . 31 GLU HG3 . 16354 1 344 . 1 1 31 31 GLU C C 13 178.200 0.400 . 1 . . . . 31 GLU C . 16354 1 345 . 1 1 31 31 GLU CA C 13 58.950 0.400 . 1 . . . . 31 GLU CA . 16354 1 346 . 1 1 31 31 GLU CB C 13 28.890 0.400 . 1 . . . . 31 GLU CB . 16354 1 347 . 1 1 31 31 GLU N N 15 117.999 0.400 . 1 . . . . 31 GLU N . 16354 1 348 . 1 1 32 32 ALA H H 1 7.988 0.020 . 1 . . . . 32 ALA H . 16354 1 349 . 1 1 32 32 ALA HA H 1 4.191 0.020 . 1 . . . . 32 ALA HA . 16354 1 350 . 1 1 32 32 ALA HB1 H 1 1.175 0.020 . 1 . . . . 32 ALA MB . 16354 1 351 . 1 1 32 32 ALA HB2 H 1 1.175 0.020 . 1 . . . . 32 ALA MB . 16354 1 352 . 1 1 32 32 ALA HB3 H 1 1.175 0.020 . 1 . . . . 32 ALA MB . 16354 1 353 . 1 1 32 32 ALA C C 13 179.200 0.400 . 1 . . . . 32 ALA C . 16354 1 354 . 1 1 32 32 ALA CA C 13 54.970 0.400 . 1 . . . . 32 ALA CA . 16354 1 355 . 1 1 32 32 ALA CB C 13 17.260 0.400 . 1 . . . . 32 ALA CB . 16354 1 356 . 1 1 32 32 ALA N N 15 122.398 0.400 . 1 . . . . 32 ALA N . 16354 1 357 . 1 1 33 33 GLU H H 1 8.060 0.020 . 1 . . . . 33 GLU H . 16354 1 358 . 1 1 33 33 GLU HA H 1 4.144 0.020 . 1 . . . . 33 GLU HA . 16354 1 359 . 1 1 33 33 GLU HB2 H 1 2.188 0.020 . 2 . . . . 33 GLU HB2 . 16354 1 360 . 1 1 33 33 GLU HB3 H 1 2.188 0.020 . 2 . . . . 33 GLU HB3 . 16354 1 361 . 1 1 33 33 GLU HG2 H 1 2.381 0.020 . 2 . . . . 33 GLU HG2 . 16354 1 362 . 1 1 33 33 GLU HG3 H 1 2.381 0.020 . 2 . . . . 33 GLU HG3 . 16354 1 363 . 1 1 33 33 GLU C C 13 178.200 0.400 . 1 . . . . 33 GLU C . 16354 1 364 . 1 1 33 33 GLU CA C 13 58.950 0.400 . 1 . . . . 33 GLU CA . 16354 1 365 . 1 1 33 33 GLU CB C 13 28.890 0.400 . 1 . . . . 33 GLU CB . 16354 1 366 . 1 1 33 33 GLU N N 15 118.582 0.400 . 1 . . . . 33 GLU N . 16354 1 367 . 1 1 34 34 LYS H H 1 7.986 0.020 . 1 . . . . 34 LYS H . 16354 1 368 . 1 1 34 34 LYS HA H 1 3.972 0.020 . 1 . . . . 34 LYS HA . 16354 1 369 . 1 1 34 34 LYS HB2 H 1 2.169 0.020 . 2 . . . . 34 LYS HB2 . 16354 1 370 . 1 1 34 34 LYS HB3 H 1 1.992 0.020 . 2 . . . . 34 LYS HB3 . 16354 1 371 . 1 1 34 34 LYS HD2 H 1 1.625 0.020 . 2 . . . . 34 LYS HD2 . 16354 1 372 . 1 1 34 34 LYS HD3 H 1 1.625 0.020 . 2 . . . . 34 LYS HD3 . 16354 1 373 . 1 1 34 34 LYS HE2 H 1 2.932 0.020 . 2 . . . . 34 LYS HE2 . 16354 1 374 . 1 1 34 34 LYS HE3 H 1 2.932 0.020 . 2 . . . . 34 LYS HE3 . 16354 1 375 . 1 1 34 34 LYS HG2 H 1 1.593 0.020 . 2 . . . . 34 LYS HG2 . 16354 1 376 . 1 1 34 34 LYS HG3 H 1 1.593 0.020 . 2 . . . . 34 LYS HG3 . 16354 1 377 . 1 1 34 34 LYS C C 13 178.600 0.400 . 1 . . . . 34 LYS C . 16354 1 378 . 1 1 34 34 LYS CA C 13 58.110 0.400 . 1 . . . . 34 LYS CA . 16354 1 379 . 1 1 34 34 LYS CB C 13 30.980 0.400 . 1 . . . . 34 LYS CB . 16354 1 380 . 1 1 34 34 LYS N N 15 119.109 0.400 . 1 . . . . 34 LYS N . 16354 1 381 . 1 1 35 35 ALA H H 1 7.977 0.020 . 1 . . . . 35 ALA H . 16354 1 382 . 1 1 35 35 ALA HA H 1 4.067 0.020 . 1 . . . . 35 ALA HA . 16354 1 383 . 1 1 35 35 ALA HB1 H 1 1.552 0.020 . 1 . . . . 35 ALA MB . 16354 1 384 . 1 1 35 35 ALA HB2 H 1 1.552 0.020 . 1 . . . . 35 ALA MB . 16354 1 385 . 1 1 35 35 ALA HB3 H 1 1.552 0.020 . 1 . . . . 35 ALA MB . 16354 1 386 . 1 1 35 35 ALA C C 13 179.200 0.400 . 1 . . . . 35 ALA C . 16354 1 387 . 1 1 35 35 ALA CA C 13 55.180 0.400 . 1 . . . . 35 ALA CA . 16354 1 388 . 1 1 35 35 ALA CB C 13 16.830 0.400 . 1 . . . . 35 ALA CB . 16354 1 389 . 1 1 35 35 ALA N N 15 119.701 0.400 . 1 . . . . 35 ALA N . 16354 1 390 . 1 1 36 36 LYS H H 1 7.752 0.020 . 1 . . . . 36 LYS H . 16354 1 391 . 1 1 36 36 LYS HA H 1 4.098 0.020 . 1 . . . . 36 LYS HA . 16354 1 392 . 1 1 36 36 LYS HB2 H 1 1.996 0.020 . 2 . . . . 36 LYS HB2 . 16354 1 393 . 1 1 36 36 LYS HB3 H 1 2.093 0.020 . 2 . . . . 36 LYS HB3 . 16354 1 394 . 1 1 36 36 LYS HD2 H 1 1.733 0.020 . 2 . . . . 36 LYS HD2 . 16354 1 395 . 1 1 36 36 LYS HD3 H 1 1.733 0.020 . 2 . . . . 36 LYS HD3 . 16354 1 396 . 1 1 36 36 LYS HE2 H 1 2.949 0.020 . 2 . . . . 36 LYS HE2 . 16354 1 397 . 1 1 36 36 LYS HE3 H 1 2.949 0.020 . 2 . . . . 36 LYS HE3 . 16354 1 398 . 1 1 36 36 LYS HG2 H 1 1.592 0.020 . 2 . . . . 36 LYS HG2 . 16354 1 399 . 1 1 36 36 LYS HG3 H 1 1.592 0.020 . 2 . . . . 36 LYS HG3 . 16354 1 400 . 1 1 36 36 LYS C C 13 178.600 0.400 . 1 . . . . 36 LYS C . 16354 1 401 . 1 1 36 36 LYS CA C 13 59.110 0.400 . 1 . . . . 36 LYS CA . 16354 1 402 . 1 1 36 36 LYS CB C 13 31.780 0.400 . 1 . . . . 36 LYS CB . 16354 1 403 . 1 1 36 36 LYS N N 15 117.583 0.400 . 1 . . . . 36 LYS N . 16354 1 404 . 1 1 37 37 ILE H H 1 7.960 0.020 . 1 . . . . 37 ILE H . 16354 1 405 . 1 1 37 37 ILE HA H 1 3.719 0.020 . 1 . . . . 37 ILE HA . 16354 1 406 . 1 1 37 37 ILE HB H 1 2.044 0.020 . 1 . . . . 37 ILE HB . 16354 1 407 . 1 1 37 37 ILE HD11 H 1 0.911 0.020 . 1 . . . . 37 ILE MD . 16354 1 408 . 1 1 37 37 ILE HD12 H 1 0.911 0.020 . 1 . . . . 37 ILE MD . 16354 1 409 . 1 1 37 37 ILE HD13 H 1 0.911 0.020 . 1 . . . . 37 ILE MD . 16354 1 410 . 1 1 37 37 ILE HG12 H 1 1.576 0.020 . 2 . . . . 37 ILE HG12 . 16354 1 411 . 1 1 37 37 ILE HG13 H 1 1.798 0.020 . 2 . . . . 37 ILE HG13 . 16354 1 412 . 1 1 37 37 ILE HG21 H 1 1.164 0.020 . 1 . . . . 37 ILE MG . 16354 1 413 . 1 1 37 37 ILE HG22 H 1 1.164 0.020 . 1 . . . . 37 ILE MG . 16354 1 414 . 1 1 37 37 ILE HG23 H 1 1.164 0.020 . 1 . . . . 37 ILE MG . 16354 1 415 . 1 1 37 37 ILE C C 13 179.000 0.400 . 1 . . . . 37 ILE C . 16354 1 416 . 1 1 37 37 ILE CA C 13 64.980 0.400 . 1 . . . . 37 ILE CA . 16354 1 417 . 1 1 37 37 ILE CB C 13 37.460 0.400 . 1 . . . . 37 ILE CB . 16354 1 418 . 1 1 37 37 ILE N N 15 120.897 0.400 . 1 . . . . 37 ILE N . 16354 1 419 . 1 1 38 38 LEU H H 1 8.153 0.020 . 1 . . . . 38 LEU H . 16354 1 420 . 1 1 38 38 LEU HA H 1 4.106 0.020 . 1 . . . . 38 LEU HA . 16354 1 421 . 1 1 38 38 LEU HB2 H 1 1.846 0.020 . 2 . . . . 38 LEU HB2 . 16354 1 422 . 1 1 38 38 LEU HB3 H 1 1.587 0.020 . 2 . . . . 38 LEU HB3 . 16354 1 423 . 1 1 38 38 LEU HD11 H 1 0.906 0.020 . 2 . . . . 38 LEU MD1 . 16354 1 424 . 1 1 38 38 LEU HD12 H 1 0.906 0.020 . 2 . . . . 38 LEU MD1 . 16354 1 425 . 1 1 38 38 LEU HD13 H 1 0.906 0.020 . 2 . . . . 38 LEU MD1 . 16354 1 426 . 1 1 38 38 LEU HD21 H 1 0.906 0.020 . 2 . . . . 38 LEU MD2 . 16354 1 427 . 1 1 38 38 LEU HD22 H 1 0.906 0.020 . 2 . . . . 38 LEU MD2 . 16354 1 428 . 1 1 38 38 LEU HD23 H 1 0.906 0.020 . 2 . . . . 38 LEU MD2 . 16354 1 429 . 1 1 38 38 LEU C C 13 179.200 0.400 . 1 . . . . 38 LEU C . 16354 1 430 . 1 1 38 38 LEU CA C 13 57.730 0.400 . 1 . . . . 38 LEU CA . 16354 1 431 . 1 1 38 38 LEU CB C 13 40.980 0.400 . 1 . . . . 38 LEU CB . 16354 1 432 . 1 1 38 38 LEU N N 15 120.156 0.400 . 1 . . . . 38 LEU N . 16354 1 433 . 1 1 39 39 GLU H H 1 8.115 0.020 . 1 . . . . 39 GLU H . 16354 1 434 . 1 1 39 39 GLU HA H 1 4.071 0.020 . 1 . . . . 39 GLU HA . 16354 1 435 . 1 1 39 39 GLU HB2 H 1 2.206 0.020 . 2 . . . . 39 GLU HB2 . 16354 1 436 . 1 1 39 39 GLU HB3 H 1 2.206 0.020 . 2 . . . . 39 GLU HB3 . 16354 1 437 . 1 1 39 39 GLU HG2 H 1 2.390 0.020 . 2 . . . . 39 GLU HG2 . 16354 1 438 . 1 1 39 39 GLU HG3 H 1 2.390 0.020 . 2 . . . . 39 GLU HG3 . 16354 1 439 . 1 1 39 39 GLU C C 13 178.200 0.400 . 1 . . . . 39 GLU C . 16354 1 440 . 1 1 39 39 GLU CA C 13 59.260 0.400 . 1 . . . . 39 GLU CA . 16354 1 441 . 1 1 39 39 GLU CB C 13 29.000 0.400 . 1 . . . . 39 GLU CB . 16354 1 442 . 1 1 39 39 GLU N N 15 119.628 0.400 . 1 . . . . 39 GLU N . 16354 1 443 . 1 1 40 40 LYS H H 1 7.951 0.020 . 1 . . . . 40 LYS H . 16354 1 444 . 1 1 40 40 LYS HA H 1 4.095 0.020 . 1 . . . . 40 LYS HA . 16354 1 445 . 1 1 40 40 LYS HB2 H 1 1.989 0.020 . 2 . . . . 40 LYS HB2 . 16354 1 446 . 1 1 40 40 LYS HB3 H 1 1.989 0.020 . 2 . . . . 40 LYS HB3 . 16354 1 447 . 1 1 40 40 LYS HD2 H 1 1.734 0.020 . 2 . . . . 40 LYS HD2 . 16354 1 448 . 1 1 40 40 LYS HD3 H 1 1.734 0.020 . 2 . . . . 40 LYS HD3 . 16354 1 449 . 1 1 40 40 LYS HE2 H 1 2.993 0.020 . 2 . . . . 40 LYS HE2 . 16354 1 450 . 1 1 40 40 LYS HE3 H 1 2.993 0.020 . 2 . . . . 40 LYS HE3 . 16354 1 451 . 1 1 40 40 LYS HG2 H 1 1.595 0.020 . 2 . . . . 40 LYS HG2 . 16354 1 452 . 1 1 40 40 LYS HG3 H 1 1.595 0.020 . 2 . . . . 40 LYS HG3 . 16354 1 453 . 1 1 40 40 LYS C C 13 178.600 0.400 . 1 . . . . 40 LYS C . 16354 1 454 . 1 1 40 40 LYS CA C 13 59.380 0.400 . 1 . . . . 40 LYS CA . 16354 1 455 . 1 1 40 40 LYS CB C 13 31.820 0.400 . 1 . . . . 40 LYS CB . 16354 1 456 . 1 1 40 40 LYS N N 15 120.185 0.400 . 1 . . . . 40 LYS N . 16354 1 457 . 1 1 41 41 ALA H H 1 8.550 0.020 . 1 . . . . 41 ALA H . 16354 1 458 . 1 1 41 41 ALA HA H 1 4.120 0.020 . 1 . . . . 41 ALA HA . 16354 1 459 . 1 1 41 41 ALA HB1 H 1 1.540 0.020 . 1 . . . . 41 ALA MB . 16354 1 460 . 1 1 41 41 ALA HB2 H 1 1.540 0.020 . 1 . . . . 41 ALA MB . 16354 1 461 . 1 1 41 41 ALA HB3 H 1 1.540 0.020 . 1 . . . . 41 ALA MB . 16354 1 462 . 1 1 41 41 ALA C C 13 179.200 0.400 . 1 . . . . 41 ALA C . 16354 1 463 . 1 1 41 41 ALA CA C 13 55.060 0.400 . 1 . . . . 41 ALA CA . 16354 1 464 . 1 1 41 41 ALA CB C 13 17.490 0.400 . 1 . . . . 41 ALA CB . 16354 1 465 . 1 1 41 41 ALA N N 15 122.931 0.400 . 1 . . . . 41 ALA N . 16354 1 466 . 1 1 42 42 LYS H H 1 8.257 0.020 . 1 . . . . 42 LYS H . 16354 1 467 . 1 1 42 42 LYS HA H 1 4.036 0.020 . 1 . . . . 42 LYS HA . 16354 1 468 . 1 1 42 42 LYS HB2 H 1 2.006 0.020 . 2 . . . . 42 LYS HB2 . 16354 1 469 . 1 1 42 42 LYS HB3 H 1 2.006 0.020 . 2 . . . . 42 LYS HB3 . 16354 1 470 . 1 1 42 42 LYS HE2 H 1 2.948 0.020 . 2 . . . . 42 LYS HE2 . 16354 1 471 . 1 1 42 42 LYS HE3 H 1 2.948 0.020 . 2 . . . . 42 LYS HE3 . 16354 1 472 . 1 1 42 42 LYS HG2 H 1 1.542 0.020 . 2 . . . . 42 LYS HG2 . 16354 1 473 . 1 1 42 42 LYS HG3 H 1 1.542 0.020 . 2 . . . . 42 LYS HG3 . 16354 1 474 . 1 1 42 42 LYS C C 13 178.600 0.400 . 1 . . . . 42 LYS C . 16354 1 475 . 1 1 42 42 LYS CA C 13 57.040 0.400 . 1 . . . . 42 LYS CA . 16354 1 476 . 1 1 42 42 LYS CB C 13 31.700 0.400 . 1 . . . . 42 LYS CB . 16354 1 477 . 1 1 42 42 LYS N N 15 119.296 0.400 . 1 . . . . 42 LYS N . 16354 1 478 . 1 1 43 43 GLU H H 1 7.979 0.020 . 1 . . . . 43 GLU H . 16354 1 479 . 1 1 43 43 GLU HA H 1 4.070 0.020 . 1 . . . . 43 GLU HA . 16354 1 480 . 1 1 43 43 GLU HB2 H 1 2.010 0.020 . 2 . . . . 43 GLU HB2 . 16354 1 481 . 1 1 43 43 GLU HB3 H 1 2.010 0.020 . 2 . . . . 43 GLU HB3 . 16354 1 482 . 1 1 43 43 GLU HG2 H 1 2.370 0.020 . 2 . . . . 43 GLU HG2 . 16354 1 483 . 1 1 43 43 GLU HG3 H 1 2.370 0.020 . 2 . . . . 43 GLU HG3 . 16354 1 484 . 1 1 43 43 GLU C C 13 178.200 0.400 . 1 . . . . 43 GLU C . 16354 1 485 . 1 1 43 43 GLU CA C 13 58.960 0.400 . 1 . . . . 43 GLU CA . 16354 1 486 . 1 1 43 43 GLU CB C 13 28.940 0.400 . 1 . . . . 43 GLU CB . 16354 1 487 . 1 1 43 43 GLU N N 15 119.676 0.400 . 1 . . . . 43 GLU N . 16354 1 488 . 1 1 44 44 GLU H H 1 8.278 0.020 . 1 . . . . 44 GLU H . 16354 1 489 . 1 1 44 44 GLU HA H 1 4.069 0.020 . 1 . . . . 44 GLU HA . 16354 1 490 . 1 1 44 44 GLU HB2 H 1 2.159 0.020 . 2 . . . . 44 GLU HB2 . 16354 1 491 . 1 1 44 44 GLU HB3 H 1 2.159 0.020 . 2 . . . . 44 GLU HB3 . 16354 1 492 . 1 1 44 44 GLU HG2 H 1 2.366 0.020 . 2 . . . . 44 GLU HG2 . 16354 1 493 . 1 1 44 44 GLU HG3 H 1 2.366 0.020 . 2 . . . . 44 GLU HG3 . 16354 1 494 . 1 1 44 44 GLU C C 13 178.200 0.400 . 1 . . . . 44 GLU C . 16354 1 495 . 1 1 44 44 GLU CA C 13 58.960 0.400 . 1 . . . . 44 GLU CA . 16354 1 496 . 1 1 44 44 GLU CB C 13 28.940 0.400 . 1 . . . . 44 GLU CB . 16354 1 497 . 1 1 44 44 GLU N N 15 118.681 0.400 . 1 . . . . 44 GLU N . 16354 1 498 . 1 1 45 45 ALA H H 1 8.160 0.020 . 1 . . . . 45 ALA H . 16354 1 499 . 1 1 45 45 ALA HA H 1 4.079 0.020 . 1 . . . . 45 ALA HA . 16354 1 500 . 1 1 45 45 ALA HB1 H 1 1.547 0.020 . 1 . . . . 45 ALA MB . 16354 1 501 . 1 1 45 45 ALA HB2 H 1 1.547 0.020 . 1 . . . . 45 ALA MB . 16354 1 502 . 1 1 45 45 ALA HB3 H 1 1.547 0.020 . 1 . . . . 45 ALA MB . 16354 1 503 . 1 1 45 45 ALA C C 13 179.200 0.400 . 1 . . . . 45 ALA C . 16354 1 504 . 1 1 45 45 ALA CA C 13 54.910 0.400 . 1 . . . . 45 ALA CA . 16354 1 505 . 1 1 45 45 ALA CB C 13 17.360 0.400 . 1 . . . . 45 ALA CB . 16354 1 506 . 1 1 45 45 ALA N N 15 121.693 0.400 . 1 . . . . 45 ALA N . 16354 1 507 . 1 1 46 46 GLU H H 1 8.106 0.020 . 1 . . . . 46 GLU H . 16354 1 508 . 1 1 46 46 GLU HA H 1 4.083 0.020 . 1 . . . . 46 GLU HA . 16354 1 509 . 1 1 46 46 GLU HB2 H 1 2.164 0.020 . 2 . . . . 46 GLU HB2 . 16354 1 510 . 1 1 46 46 GLU HB3 H 1 2.164 0.020 . 2 . . . . 46 GLU HB3 . 16354 1 511 . 1 1 46 46 GLU HG2 H 1 2.415 0.020 . 2 . . . . 46 GLU HG2 . 16354 1 512 . 1 1 46 46 GLU HG3 H 1 2.415 0.020 . 2 . . . . 46 GLU HG3 . 16354 1 513 . 1 1 46 46 GLU C C 13 178.200 0.400 . 1 . . . . 46 GLU C . 16354 1 514 . 1 1 46 46 GLU CA C 13 58.170 0.400 . 1 . . . . 46 GLU CA . 16354 1 515 . 1 1 46 46 GLU CB C 13 28.920 0.400 . 1 . . . . 46 GLU CB . 16354 1 516 . 1 1 46 46 GLU N N 15 117.210 0.400 . 1 . . . . 46 GLU N . 16354 1 517 . 1 1 47 47 LYS H H 1 7.905 0.020 . 1 . . . . 47 LYS H . 16354 1 518 . 1 1 47 47 LYS HA H 1 4.106 0.020 . 1 . . . . 47 LYS HA . 16354 1 519 . 1 1 47 47 LYS HB2 H 1 2.165 0.020 . 2 . . . . 47 LYS HB2 . 16354 1 520 . 1 1 47 47 LYS HB3 H 1 2.165 0.020 . 2 . . . . 47 LYS HB3 . 16354 1 521 . 1 1 47 47 LYS HD2 H 1 1.710 0.020 . 2 . . . . 47 LYS HD2 . 16354 1 522 . 1 1 47 47 LYS HD3 H 1 1.710 0.020 . 2 . . . . 47 LYS HD3 . 16354 1 523 . 1 1 47 47 LYS HE2 H 1 3.005 0.020 . 2 . . . . 47 LYS HE2 . 16354 1 524 . 1 1 47 47 LYS HE3 H 1 3.005 0.020 . 2 . . . . 47 LYS HE3 . 16354 1 525 . 1 1 47 47 LYS C C 13 178.600 0.400 . 1 . . . . 47 LYS C . 16354 1 526 . 1 1 47 47 LYS CA C 13 57.350 0.400 . 1 . . . . 47 LYS CA . 16354 1 527 . 1 1 47 47 LYS CB C 13 32.200 0.400 . 1 . . . . 47 LYS CB . 16354 1 528 . 1 1 47 47 LYS N N 15 119.153 0.400 . 1 . . . . 47 LYS N . 16354 1 529 . 1 1 48 48 ARG H H 1 7.846 0.020 . 1 . . . . 48 ARG H . 16354 1 530 . 1 1 48 48 ARG HA H 1 4.234 0.020 . 1 . . . . 48 ARG HA . 16354 1 531 . 1 1 48 48 ARG HB2 H 1 1.950 0.020 . 2 . . . . 48 ARG HB2 . 16354 1 532 . 1 1 48 48 ARG HB3 H 1 1.950 0.020 . 2 . . . . 48 ARG HB3 . 16354 1 533 . 1 1 48 48 ARG HD2 H 1 3.207 0.020 . 2 . . . . 48 ARG HD2 . 16354 1 534 . 1 1 48 48 ARG HD3 H 1 3.207 0.020 . 2 . . . . 48 ARG HD3 . 16354 1 535 . 1 1 48 48 ARG HG2 H 1 1.728 0.020 . 2 . . . . 48 ARG HG2 . 16354 1 536 . 1 1 48 48 ARG HG3 H 1 1.728 0.020 . 2 . . . . 48 ARG HG3 . 16354 1 537 . 1 1 48 48 ARG C C 13 178.600 0.400 . 1 . . . . 48 ARG C . 16354 1 538 . 1 1 48 48 ARG CA C 13 57.350 0.400 . 1 . . . . 48 ARG CA . 16354 1 539 . 1 1 48 48 ARG CB C 13 29.640 0.400 . 1 . . . . 48 ARG CB . 16354 1 540 . 1 1 48 48 ARG N N 15 117.908 0.400 . 1 . . . . 48 ARG N . 16354 1 541 . 1 1 49 49 LYS H H 1 7.772 0.020 . 1 . . . . 49 LYS H . 16354 1 542 . 1 1 49 49 LYS HA H 1 4.177 0.020 . 1 . . . . 49 LYS HA . 16354 1 543 . 1 1 49 49 LYS HB2 H 1 1.922 0.020 . 2 . . . . 49 LYS HB2 . 16354 1 544 . 1 1 49 49 LYS HB3 H 1 1.922 0.020 . 2 . . . . 49 LYS HB3 . 16354 1 545 . 1 1 49 49 LYS HG2 H 1 1.520 0.020 . 2 . . . . 49 LYS HG2 . 16354 1 546 . 1 1 49 49 LYS HG3 H 1 1.520 0.020 . 2 . . . . 49 LYS HG3 . 16354 1 547 . 1 1 49 49 LYS C C 13 178.600 0.400 . 1 . . . . 49 LYS C . 16354 1 548 . 1 1 49 49 LYS CA C 13 57.350 0.400 . 1 . . . . 49 LYS CA . 16354 1 549 . 1 1 49 49 LYS CB C 13 32.120 0.400 . 1 . . . . 49 LYS CB . 16354 1 550 . 1 1 49 49 LYS N N 15 119.320 0.400 . 1 . . . . 49 LYS N . 16354 1 551 . 1 1 50 50 ALA H H 1 7.785 0.020 . 1 . . . . 50 ALA H . 16354 1 552 . 1 1 50 50 ALA HA H 1 4.365 0.020 . 1 . . . . 50 ALA HA . 16354 1 553 . 1 1 50 50 ALA HB1 H 1 1.480 0.020 . 1 . . . . 50 ALA MB . 16354 1 554 . 1 1 50 50 ALA HB2 H 1 1.480 0.020 . 1 . . . . 50 ALA MB . 16354 1 555 . 1 1 50 50 ALA HB3 H 1 1.480 0.020 . 1 . . . . 50 ALA MB . 16354 1 556 . 1 1 50 50 ALA C C 13 179.200 0.400 . 1 . . . . 50 ALA C . 16354 1 557 . 1 1 50 50 ALA CA C 13 52.270 0.400 . 1 . . . . 50 ALA CA . 16354 1 558 . 1 1 50 50 ALA CB C 13 18.650 0.400 . 1 . . . . 50 ALA CB . 16354 1 559 . 1 1 50 50 ALA N N 15 121.668 0.400 . 1 . . . . 50 ALA N . 16354 1 560 . 1 1 51 51 GLU H H 1 7.924 0.020 . 1 . . . . 51 GLU H . 16354 1 561 . 1 1 51 51 GLU HA H 1 4.343 0.020 . 1 . . . . 51 GLU HA . 16354 1 562 . 1 1 51 51 GLU HB2 H 1 2.160 0.020 . 1 . . . . 51 GLU HB2 . 16354 1 563 . 1 1 51 51 GLU HB3 H 1 1.978 0.020 . 1 . . . . 51 GLU HB3 . 16354 1 564 . 1 1 51 51 GLU HG2 H 1 2.354 0.020 . 1 . . . . 51 GLU HG2 . 16354 1 565 . 1 1 51 51 GLU HG3 H 1 2.354 0.020 . 1 . . . . 51 GLU HG3 . 16354 1 566 . 1 1 51 51 GLU C C 13 178.200 0.400 . 1 . . . . 51 GLU C . 16354 1 567 . 1 1 51 51 GLU CA C 13 56.370 0.400 . 1 . . . . 51 GLU CA . 16354 1 568 . 1 1 51 51 GLU CB C 13 29.790 0.400 . 1 . . . . 51 GLU CB . 16354 1 569 . 1 1 51 51 GLU N N 15 118.979 0.400 . 1 . . . . 51 GLU N . 16354 1 570 . 1 1 52 52 ILE H H 1 7.431 0.020 . 1 . . . . 52 ILE H . 16354 1 571 . 1 1 52 52 ILE HA H 1 4.108 0.020 . 1 . . . . 52 ILE HA . 16354 1 572 . 1 1 52 52 ILE HB H 1 1.875 0.020 . 1 . . . . 52 ILE HB . 16354 1 573 . 1 1 52 52 ILE HD11 H 1 0.923 0.020 . 1 . . . . 52 ILE MD . 16354 1 574 . 1 1 52 52 ILE HD12 H 1 0.923 0.020 . 1 . . . . 52 ILE MD . 16354 1 575 . 1 1 52 52 ILE HD13 H 1 0.923 0.020 . 1 . . . . 52 ILE MD . 16354 1 576 . 1 1 52 52 ILE HG12 H 1 1.473 0.020 . 2 . . . . 52 ILE HG12 . 16354 1 577 . 1 1 52 52 ILE HG13 H 1 1.473 0.020 . 2 . . . . 52 ILE HG13 . 16354 1 578 . 1 1 52 52 ILE HG21 H 1 1.168 0.020 . 1 . . . . 52 ILE MG . 16354 1 579 . 1 1 52 52 ILE HG22 H 1 1.168 0.020 . 1 . . . . 52 ILE MG . 16354 1 580 . 1 1 52 52 ILE HG23 H 1 1.168 0.020 . 1 . . . . 52 ILE MG . 16354 1 581 . 1 1 52 52 ILE C C 13 179.000 0.400 . 1 . . . . 52 ILE C . 16354 1 582 . 1 1 52 52 ILE CA C 13 62.830 0.400 . 1 . . . . 52 ILE CA . 16354 1 583 . 1 1 52 52 ILE CB C 13 39.260 0.400 . 1 . . . . 52 ILE CB . 16354 1 584 . 1 1 52 52 ILE N N 15 124.557 0.400 . 1 . . . . 52 ILE N . 16354 1 stop_ save_