data_19628 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19628 _Entry.Title ; NMR structure of the protein NP_419126.1 from CAULOBACTER CRESCENTUS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-21 _Entry.Accession_date 2013-11-21 _Entry.Last_release_date 2014-03-03 _Entry.Original_release_date 2014-03-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Pedro Serrano . . . 19628 2 Samit Dutta . K. . 19628 3 Michael Geralt . . . 19628 4 Kurt Wuthrich . . . 19628 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 19628 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PF13773 . 19628 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19628 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 302 19628 '15N chemical shifts' 74 19628 '1H chemical shifts' 491 19628 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 . . 2014-03-03 2013-11-21 original author . 19628 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MHE 'BMRB Entry Tracking System' 19628 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19628 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the protein NP_419126.1 from CAULOBACTER CRESCENTUS' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pedro Serrano . . . 19628 1 2 Samit Dutta . K. . 19628 1 3 Michael Geralt . . . 19628 1 4 Kurt Wuthrich . . . 19628 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19628 _Assembly.ID 1 _Assembly.Name 'protein NP_419126.1 from CAULOBACTER CRESCENTUS' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 entity 1 $entity A . yes native no no . . . 19628 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19628 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPDKQLLHIVVGGELKDVAG VEFRDLSKVEFVGAYPSYDE AHKAWKAKAQATVDNAHARY FIIHAHKLLDPSEG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16470.863 _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 2MHE . "Nmr Structure Of The Protein Np_419126.1 From Caulobacter Crescentus" . . . . . 100.00 74 100.00 100.00 1.98e-45 . . . . 19628 1 2 no GB AAK22294 . "hypothetical protein CC_0307 [Caulobacter crescentus CB15]" . . . . . 100.00 74 100.00 100.00 1.98e-45 . . . . 19628 1 3 no GB ACL93776 . "conserved hypothetical protein [Caulobacter crescentus NA1000]" . . . . . 100.00 77 100.00 100.00 1.43e-45 . . . . 19628 1 4 no REF NP_419126 . "hypothetical protein CC_0307 [Caulobacter crescentus CB15]" . . . . . 100.00 74 100.00 100.00 1.98e-45 . . . . 19628 1 5 no REF WP_010918196 . "inositol monophosphatase [Caulobacter vibrioides]" . . . . . 100.00 74 100.00 100.00 1.98e-45 . . . . 19628 1 6 no REF WP_012639934 . "inositol monophosphatase [Caulobacter vibrioides]" . . . . . 100.00 77 100.00 100.00 1.43e-45 . . . . 19628 1 7 no REF YP_002515684 . "conserved hypothetical protein [Caulobacter crescentus NA1000]" . . . . . 100.00 77 100.00 100.00 1.43e-45 . . . . 19628 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 . 19628 1 2 . PRO . 19628 1 3 . ASP . 19628 1 4 . LYS . 19628 1 5 . GLN . 19628 1 6 . LEU . 19628 1 7 . LEU . 19628 1 8 . HIS . 19628 1 9 . ILE . 19628 1 10 . VAL . 19628 1 11 . VAL . 19628 1 12 . GLY . 19628 1 13 . GLY . 19628 1 14 . GLU . 19628 1 15 . LEU . 19628 1 16 . LYS . 19628 1 17 . ASP . 19628 1 18 . VAL . 19628 1 19 . ALA . 19628 1 20 . GLY . 19628 1 21 . VAL . 19628 1 22 . GLU . 19628 1 23 . PHE . 19628 1 24 . ARG . 19628 1 25 . ASP . 19628 1 26 . LEU . 19628 1 27 . SER . 19628 1 28 . LYS . 19628 1 29 . VAL . 19628 1 30 . GLU . 19628 1 31 . PHE . 19628 1 32 . VAL . 19628 1 33 . GLY . 19628 1 34 . ALA . 19628 1 35 . TYR . 19628 1 36 . PRO . 19628 1 37 . SER . 19628 1 38 . TYR . 19628 1 39 . ASP . 19628 1 40 . GLU . 19628 1 41 . ALA . 19628 1 42 . HIS . 19628 1 43 . LYS . 19628 1 44 . ALA . 19628 1 45 . TRP . 19628 1 46 . LYS . 19628 1 47 . ALA . 19628 1 48 . LYS . 19628 1 49 . ALA . 19628 1 50 . GLN . 19628 1 51 . ALA . 19628 1 52 . THR . 19628 1 53 . VAL . 19628 1 54 . ASP . 19628 1 55 . ASN . 19628 1 56 . ALA . 19628 1 57 . HIS . 19628 1 58 . ALA . 19628 1 59 . ARG . 19628 1 60 . TYR . 19628 1 61 . PHE . 19628 1 62 . ILE . 19628 1 63 . ILE . 19628 1 64 . HIS . 19628 1 65 . ALA . 19628 1 66 . HIS . 19628 1 67 . LYS . 19628 1 68 . LEU . 19628 1 69 . LEU . 19628 1 70 . ASP . 19628 1 71 . PRO . 19628 1 72 . SER . 19628 1 73 . GLU . 19628 1 74 . GLY . 19628 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 19628 1 . PRO 2 2 19628 1 . ASP 3 3 19628 1 . LYS 4 4 19628 1 . GLN 5 5 19628 1 . LEU 6 6 19628 1 . LEU 7 7 19628 1 . HIS 8 8 19628 1 . ILE 9 9 19628 1 . VAL 10 10 19628 1 . VAL 11 11 19628 1 . GLY 12 12 19628 1 . GLY 13 13 19628 1 . GLU 14 14 19628 1 . LEU 15 15 19628 1 . LYS 16 16 19628 1 . ASP 17 17 19628 1 . VAL 18 18 19628 1 . ALA 19 19 19628 1 . GLY 20 20 19628 1 . VAL 21 21 19628 1 . GLU 22 22 19628 1 . PHE 23 23 19628 1 . ARG 24 24 19628 1 . ASP 25 25 19628 1 . LEU 26 26 19628 1 . SER 27 27 19628 1 . LYS 28 28 19628 1 . VAL 29 29 19628 1 . GLU 30 30 19628 1 . PHE 31 31 19628 1 . VAL 32 32 19628 1 . GLY 33 33 19628 1 . ALA 34 34 19628 1 . TYR 35 35 19628 1 . PRO 36 36 19628 1 . SER 37 37 19628 1 . TYR 38 38 19628 1 . ASP 39 39 19628 1 . GLU 40 40 19628 1 . ALA 41 41 19628 1 . HIS 42 42 19628 1 . LYS 43 43 19628 1 . ALA 44 44 19628 1 . TRP 45 45 19628 1 . LYS 46 46 19628 1 . ALA 47 47 19628 1 . LYS 48 48 19628 1 . ALA 49 49 19628 1 . GLN 50 50 19628 1 . ALA 51 51 19628 1 . THR 52 52 19628 1 . VAL 53 53 19628 1 . ASP 54 54 19628 1 . ASN 55 55 19628 1 . ALA 56 56 19628 1 . HIS 57 57 19628 1 . ALA 58 58 19628 1 . ARG 59 59 19628 1 . TYR 60 60 19628 1 . PHE 61 61 19628 1 . ILE 62 62 19628 1 . ILE 63 63 19628 1 . HIS 64 64 19628 1 . ALA 65 65 19628 1 . HIS 66 66 19628 1 . LYS 67 67 19628 1 . LEU 68 68 19628 1 . LEU 69 69 19628 1 . ASP 70 70 19628 1 . PRO 71 71 19628 1 . SER 72 72 19628 1 . GLU 73 73 19628 1 . GLY 74 74 19628 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 19628 _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 $entity . 155892 organism . 'Caulobacter crescentus' 'Caulobacter vibrioides' . . Bacteria . Caulobacter crescentus . . . . . . . . . . . . . . . . . . . . . 19628 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 19628 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pSpeedET . . . . . . 19628 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19628 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19628 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19628 1 3 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19628 1 4 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 19628 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 19628 _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' 0.0798 . M 19628 1 pH 6.0 . pH 19628 1 pressure 1 . atm 19628 1 temperature 308 . K 19628 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19628 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 19628 1 'Keller and Wuthrich' . . 19628 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19628 1 'data analysis' 19628 1 refinement 19628 1 stop_ save_ save_j-UNIO _Software.Sf_category software _Software.Sf_framecode j-UNIO _Software.Entry_ID 19628 _Software.ID 2 _Software.Name j-UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 19628 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19628 2 'chemical shift calculation' 19628 2 'peak picking' 19628 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19628 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19628 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19628 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19628 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19628 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19628 4 processing 19628 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_mbavance601 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode mbavance601 _NMR_spectrometer.Entry_ID 19628 _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_mbavance801 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode mbavance801 _NMR_spectrometer.Entry_ID 19628 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19628 _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 mbavance601 Bruker Avance . 600 . . . 19628 1 2 mbavance801 Bruker Avance . 800 . . . 19628 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 19628 _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 $mbavance601 . . . . . . . . . . . . . . . . 19628 1 2 '4D HACANH APSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $mbavance601 . . . . . . . . . . . . . . . . 19628 1 3 '5D HACACONH APSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $mbavance601 . . . . . . . . . . . . . . . . 19628 1 4 '5D CBCACONH APSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $mbavance601 . . . . . . . . . . . . . . . . 19628 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $mbavance801 . . . . . . . . . . . . . . . . 19628 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $mbavance801 . . . . . . . . . . . . . . . . 19628 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $mbavance801 . . . . . . . . . . . . . . . . 19628 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 19628 _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 na indirect 0.251449530 . . . . . . . . . 19628 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19628 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19628 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 19628 _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 0.008 _Assigned_chem_shift_list.Chem_shift_13C_err 0.18 _Assigned_chem_shift_list.Chem_shift_15N_err 0.11 _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 2 '4D HACANH APSY' . . . 19628 1 3 '5D HACACONH APSY' . . . 19628 1 4 '5D CBCACONH APSY' . . . 19628 1 5 '3D 1H-15N NOESY' . . . 19628 1 6 '3D 1H-13C NOESY aliphatic' . . . 19628 1 7 '3D 1H-13C NOESY aromatic' . . . 19628 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 2 2 PRO HA H 1 4.536 0.008 . . . . . A 2 PRO HA . 19628 1 2 . 1 1 2 2 PRO HB2 H 1 2.386 0.008 . . . . . A 2 PRO HB2 . 19628 1 3 . 1 1 2 2 PRO HB3 H 1 2.019 0.008 . . . . . A 2 PRO HB3 . 19628 1 4 . 1 1 2 2 PRO HG2 H 1 2.110 0.008 . . . . . A 2 PRO HG2 . 19628 1 5 . 1 1 2 2 PRO HG3 H 1 2.110 0.008 . . . . . A 2 PRO QG . 19628 1 6 . 1 1 2 2 PRO HD2 H 1 3.929 0.008 . . . . . A 2 PRO HD2 . 19628 1 7 . 1 1 2 2 PRO HD3 H 1 3.772 0.008 . . . . . A 2 PRO HD3 . 19628 1 8 . 1 1 2 2 PRO C C 13 176.988 0.18 . . . . . A 2 PRO C . 19628 1 9 . 1 1 2 2 PRO CA C 13 63.332 0.18 . . . . . A 2 PRO CA . 19628 1 10 . 1 1 2 2 PRO CB C 13 32.241 0.18 . . . . . A 2 PRO CB . 19628 1 11 . 1 1 2 2 PRO CG C 13 27.636 0.18 . . . . . A 2 PRO CG . 19628 1 12 . 1 1 2 2 PRO CD C 13 50.658 0.18 . . . . . A 2 PRO CD . 19628 1 13 . 1 1 3 3 ASP H H 1 8.439 0.008 . . . . . A 3 ASP H . 19628 1 14 . 1 1 3 3 ASP HA H 1 4.626 0.008 . . . . . A 3 ASP HA . 19628 1 15 . 1 1 3 3 ASP HB2 H 1 2.694 0.008 . . . . . A 3 ASP HB2 . 19628 1 16 . 1 1 3 3 ASP HB3 H 1 2.762 0.008 . . . . . A 3 ASP HB3 . 19628 1 17 . 1 1 3 3 ASP C C 13 176.550 0.18 . . . . . A 3 ASP C . 19628 1 18 . 1 1 3 3 ASP CA C 13 54.584 0.18 . . . . . A 3 ASP CA . 19628 1 19 . 1 1 3 3 ASP CB C 13 41.274 0.18 . . . . . A 3 ASP CB . 19628 1 20 . 1 1 3 3 ASP N N 15 120.121 0.11 . . . . . A 3 ASP N . 19628 1 21 . 1 1 4 4 LYS H H 1 8.145 0.008 . . . . . A 4 LYS H . 19628 1 22 . 1 1 4 4 LYS HA H 1 4.451 0.008 . . . . . A 4 LYS HA . 19628 1 23 . 1 1 4 4 LYS HB2 H 1 1.894 0.008 . . . . . A 4 LYS HB2 . 19628 1 24 . 1 1 4 4 LYS HB3 H 1 1.824 0.008 . . . . . A 4 LYS HB3 . 19628 1 25 . 1 1 4 4 LYS HG2 H 1 1.471 0.008 . . . . . A 4 LYS HG2 . 19628 1 26 . 1 1 4 4 LYS HG3 H 1 1.511 0.008 . . . . . A 4 LYS HG3 . 19628 1 27 . 1 1 4 4 LYS HD2 H 1 1.765 0.008 . . . . . A 4 LYS HD2 . 19628 1 28 . 1 1 4 4 LYS HE2 H 1 3.072 0.008 . . . . . A 4 LYS HE2 . 19628 1 29 . 1 1 4 4 LYS HE3 H 1 3.072 0.008 . . . . . A 4 LYS QE . 19628 1 30 . 1 1 4 4 LYS C C 13 176.439 0.18 . . . . . A 4 LYS C . 19628 1 31 . 1 1 4 4 LYS CA C 13 55.908 0.18 . . . . . A 4 LYS CA . 19628 1 32 . 1 1 4 4 LYS CB C 13 33.819 0.18 . . . . . A 4 LYS CB . 19628 1 33 . 1 1 4 4 LYS CG C 13 24.811 0.18 . . . . . A 4 LYS CG . 19628 1 34 . 1 1 4 4 LYS CD C 13 29.222 0.18 . . . . . A 4 LYS CD . 19628 1 35 . 1 1 4 4 LYS CE C 13 42.446 0.18 . . . . . A 4 LYS CE . 19628 1 36 . 1 1 4 4 LYS N N 15 120.298 0.11 . . . . . A 4 LYS N . 19628 1 37 . 1 1 5 5 GLN H H 1 8.666 0.008 . . . . . A 5 GLN H . 19628 1 38 . 1 1 5 5 GLN HA H 1 4.463 0.008 . . . . . A 5 GLN HA . 19628 1 39 . 1 1 5 5 GLN HB2 H 1 2.215 0.008 . . . . . A 5 GLN HB2 . 19628 1 40 . 1 1 5 5 GLN HB3 H 1 2.162 0.008 . . . . . A 5 GLN HB3 . 19628 1 41 . 1 1 5 5 GLN HG2 H 1 2.500 0.008 . . . . . A 5 GLN HG2 . 19628 1 42 . 1 1 5 5 GLN HG3 H 1 2.282 0.008 . . . . . A 5 GLN HG3 . 19628 1 43 . 1 1 5 5 GLN HE21 H 1 7.811 0.008 . . . . . A 5 GLN HE21 . 19628 1 44 . 1 1 5 5 GLN HE22 H 1 7.216 0.008 . . . . . A 5 GLN HE22 . 19628 1 45 . 1 1 5 5 GLN C C 13 175.305 0.18 . . . . . A 5 GLN C . 19628 1 46 . 1 1 5 5 GLN CA C 13 56.317 0.18 . . . . . A 5 GLN CA . 19628 1 47 . 1 1 5 5 GLN CB C 13 30.468 0.18 . . . . . A 5 GLN CB . 19628 1 48 . 1 1 5 5 GLN CG C 13 35.092 0.18 . . . . . A 5 GLN CG . 19628 1 49 . 1 1 5 5 GLN N N 15 122.085 0.11 . . . . . A 5 GLN N . 19628 1 50 . 1 1 5 5 GLN NE2 N 15 110.486 0.11 . . . . . A 5 GLN NE2 . 19628 1 51 . 1 1 6 6 LEU H H 1 8.414 0.008 . . . . . A 6 LEU H . 19628 1 52 . 1 1 6 6 LEU HA H 1 4.773 0.008 . . . . . A 6 LEU HA . 19628 1 53 . 1 1 6 6 LEU HB2 H 1 1.570 0.008 . . . . . A 6 LEU HB2 . 19628 1 54 . 1 1 6 6 LEU HB3 H 1 1.914 0.008 . . . . . A 6 LEU HB3 . 19628 1 55 . 1 1 6 6 LEU HG H 1 1.686 0.008 . . . . . A 6 LEU HG . 19628 1 56 . 1 1 6 6 LEU HD11 H 1 0.977 0.008 . . . . . A 6 LEU HD11 . 19628 1 57 . 1 1 6 6 LEU HD12 H 1 0.977 0.008 . . . . . A 6 LEU HD12 . 19628 1 58 . 1 1 6 6 LEU HD13 H 1 0.977 0.008 . . . . . A 6 LEU HD13 . 19628 1 59 . 1 1 6 6 LEU HD21 H 1 1.012 0.008 . . . . . A 6 LEU HD21 . 19628 1 60 . 1 1 6 6 LEU HD22 H 1 1.012 0.008 . . . . . A 6 LEU HD22 . 19628 1 61 . 1 1 6 6 LEU HD23 H 1 1.012 0.008 . . . . . A 6 LEU HD23 . 19628 1 62 . 1 1 6 6 LEU C C 13 176.477 0.18 . . . . . A 6 LEU C . 19628 1 63 . 1 1 6 6 LEU CA C 13 54.069 0.18 . . . . . A 6 LEU CA . 19628 1 64 . 1 1 6 6 LEU CB C 13 42.540 0.18 . . . . . A 6 LEU CB . 19628 1 65 . 1 1 6 6 LEU CG C 13 27.083 0.18 . . . . . A 6 LEU CG . 19628 1 66 . 1 1 6 6 LEU CD1 C 13 24.260 0.18 . . . . . A 6 LEU CD1 . 19628 1 67 . 1 1 6 6 LEU CD2 C 13 25.631 0.18 . . . . . A 6 LEU CD2 . 19628 1 68 . 1 1 6 6 LEU N N 15 127.607 0.11 . . . . . A 6 LEU N . 19628 1 69 . 1 1 7 7 LEU H H 1 8.378 0.008 . . . . . A 7 LEU H . 19628 1 70 . 1 1 7 7 LEU HA H 1 4.587 0.008 . . . . . A 7 LEU HA . 19628 1 71 . 1 1 7 7 LEU HB2 H 1 1.693 0.008 . . . . . A 7 LEU HB2 . 19628 1 72 . 1 1 7 7 LEU HB3 H 1 2.008 0.008 . . . . . A 7 LEU HB3 . 19628 1 73 . 1 1 7 7 LEU HG H 1 1.566 0.008 . . . . . A 7 LEU HG . 19628 1 74 . 1 1 7 7 LEU HD11 H 1 1.090 0.008 . . . . . A 7 LEU HD11 . 19628 1 75 . 1 1 7 7 LEU HD12 H 1 1.090 0.008 . . . . . A 7 LEU HD12 . 19628 1 76 . 1 1 7 7 LEU HD13 H 1 1.090 0.008 . . . . . A 7 LEU HD13 . 19628 1 77 . 1 1 7 7 LEU HD21 H 1 1.017 0.008 . . . . . A 7 LEU HD21 . 19628 1 78 . 1 1 7 7 LEU HD22 H 1 1.017 0.008 . . . . . A 7 LEU HD22 . 19628 1 79 . 1 1 7 7 LEU HD23 H 1 1.017 0.008 . . . . . A 7 LEU HD23 . 19628 1 80 . 1 1 7 7 LEU C C 13 176.499 0.18 . . . . . A 7 LEU C . 19628 1 81 . 1 1 7 7 LEU CA C 13 57.062 0.18 . . . . . A 7 LEU CA . 19628 1 82 . 1 1 7 7 LEU CB C 13 42.566 0.18 . . . . . A 7 LEU CB . 19628 1 83 . 1 1 7 7 LEU CG C 13 27.575 0.18 . . . . . A 7 LEU CG . 19628 1 84 . 1 1 7 7 LEU CD1 C 13 25.167 0.18 . . . . . A 7 LEU CD1 . 19628 1 85 . 1 1 7 7 LEU CD2 C 13 26.436 0.18 . . . . . A 7 LEU CD2 . 19628 1 86 . 1 1 7 7 LEU N N 15 124.306 0.11 . . . . . A 7 LEU N . 19628 1 87 . 1 1 8 8 HIS H H 1 9.357 0.008 . . . . . A 8 HIS H . 19628 1 88 . 1 1 8 8 HIS HA H 1 5.791 0.008 . . . . . A 8 HIS HA . 19628 1 89 . 1 1 8 8 HIS HB2 H 1 2.801 0.008 . . . . . A 8 HIS HB2 . 19628 1 90 . 1 1 8 8 HIS HB3 H 1 2.801 0.008 . . . . . A 8 HIS QB . 19628 1 91 . 1 1 8 8 HIS HD2 H 1 6.608 0.008 . . . . . A 8 HIS HD2 . 19628 1 92 . 1 1 8 8 HIS HE1 H 1 8.421 0.008 . . . . . A 8 HIS HE1 . 19628 1 93 . 1 1 8 8 HIS CA C 13 55.301 0.18 . . . . . A 8 HIS CA . 19628 1 94 . 1 1 8 8 HIS CB C 13 33.539 0.18 . . . . . A 8 HIS CB . 19628 1 95 . 1 1 8 8 HIS CD2 C 13 118.098 0.18 . . . . . A 8 HIS CD2 . 19628 1 96 . 1 1 8 8 HIS CE1 C 13 136.921 0.18 . . . . . A 8 HIS CE1 . 19628 1 97 . 1 1 8 8 HIS N N 15 124.882 0.11 . . . . . A 8 HIS N . 19628 1 98 . 1 1 9 9 ILE H H 1 9.622 0.008 . . . . . A 9 ILE H . 19628 1 99 . 1 1 9 9 ILE HA H 1 5.559 0.008 . . . . . A 9 ILE HA . 19628 1 100 . 1 1 9 9 ILE HB H 1 1.981 0.008 . . . . . A 9 ILE HB . 19628 1 101 . 1 1 9 9 ILE HG12 H 1 1.389 0.008 . . . . . A 9 ILE HG12 . 19628 1 102 . 1 1 9 9 ILE HG13 H 1 1.737 0.008 . . . . . A 9 ILE HG13 . 19628 1 103 . 1 1 9 9 ILE HG21 H 1 0.872 0.008 . . . . . A 9 ILE HG21 . 19628 1 104 . 1 1 9 9 ILE HG22 H 1 0.872 0.008 . . . . . A 9 ILE HG22 . 19628 1 105 . 1 1 9 9 ILE HG23 H 1 0.872 0.008 . . . . . A 9 ILE HG23 . 19628 1 106 . 1 1 9 9 ILE HD11 H 1 1.047 0.008 . . . . . A 9 ILE HD11 . 19628 1 107 . 1 1 9 9 ILE HD12 H 1 1.047 0.008 . . . . . A 9 ILE HD12 . 19628 1 108 . 1 1 9 9 ILE HD13 H 1 1.047 0.008 . . . . . A 9 ILE HD13 . 19628 1 109 . 1 1 9 9 ILE CA C 13 59.010 0.18 . . . . . A 9 ILE CA . 19628 1 110 . 1 1 9 9 ILE CB C 13 42.600 0.18 . . . . . A 9 ILE CB . 19628 1 111 . 1 1 9 9 ILE CG1 C 13 28.452 0.18 . . . . . A 9 ILE CG1 . 19628 1 112 . 1 1 9 9 ILE CG2 C 13 15.430 0.18 . . . . . A 9 ILE CG2 . 19628 1 113 . 1 1 9 9 ILE CD1 C 13 14.365 0.18 . . . . . A 9 ILE CD1 . 19628 1 114 . 1 1 9 9 ILE N N 15 119.723 0.11 . . . . . A 9 ILE N . 19628 1 115 . 1 1 10 10 VAL H H 1 8.546 0.008 . . . . . A 10 VAL H . 19628 1 116 . 1 1 10 10 VAL HA H 1 5.581 0.008 . . . . . A 10 VAL HA . 19628 1 117 . 1 1 10 10 VAL HB H 1 2.044 0.008 . . . . . A 10 VAL HB . 19628 1 118 . 1 1 10 10 VAL HG11 H 1 1.189 0.008 . . . . . A 10 VAL HG11 . 19628 1 119 . 1 1 10 10 VAL HG12 H 1 1.189 0.008 . . . . . A 10 VAL HG12 . 19628 1 120 . 1 1 10 10 VAL HG13 H 1 1.189 0.008 . . . . . A 10 VAL HG13 . 19628 1 121 . 1 1 10 10 VAL HG21 H 1 1.164 0.008 . . . . . A 10 VAL HG21 . 19628 1 122 . 1 1 10 10 VAL HG22 H 1 1.164 0.008 . . . . . A 10 VAL HG22 . 19628 1 123 . 1 1 10 10 VAL HG23 H 1 1.164 0.008 . . . . . A 10 VAL HG23 . 19628 1 124 . 1 1 10 10 VAL CA C 13 61.294 0.18 . . . . . A 10 VAL CA . 19628 1 125 . 1 1 10 10 VAL CB C 13 34.158 0.18 . . . . . A 10 VAL CB . 19628 1 126 . 1 1 10 10 VAL CG1 C 13 23.746 0.18 . . . . . A 10 VAL CG1 . 19628 1 127 . 1 1 10 10 VAL CG2 C 13 17.965 0.18 . . . . . A 10 VAL CG2 . 19628 1 128 . 1 1 10 10 VAL N N 15 124.236 0.11 . . . . . A 10 VAL N . 19628 1 129 . 1 1 11 11 VAL H H 1 8.760 0.008 . . . . . A 11 VAL H . 19628 1 130 . 1 1 11 11 VAL HA H 1 5.743 0.008 . . . . . A 11 VAL HA . 19628 1 131 . 1 1 11 11 VAL HB H 1 2.072 0.008 . . . . . A 11 VAL HB . 19628 1 132 . 1 1 11 11 VAL HG11 H 1 0.856 0.008 . . . . . A 11 VAL HG11 . 19628 1 133 . 1 1 11 11 VAL HG12 H 1 0.856 0.008 . . . . . A 11 VAL HG12 . 19628 1 134 . 1 1 11 11 VAL HG13 H 1 0.856 0.008 . . . . . A 11 VAL HG13 . 19628 1 135 . 1 1 11 11 VAL HG21 H 1 0.936 0.008 . . . . . A 11 VAL HG21 . 19628 1 136 . 1 1 11 11 VAL HG22 H 1 0.936 0.008 . . . . . A 11 VAL HG22 . 19628 1 137 . 1 1 11 11 VAL HG23 H 1 0.936 0.008 . . . . . A 11 VAL HG23 . 19628 1 138 . 1 1 11 11 VAL CA C 13 58.090 0.18 . . . . . A 11 VAL CA . 19628 1 139 . 1 1 11 11 VAL CB C 13 36.591 0.18 . . . . . A 11 VAL CB . 19628 1 140 . 1 1 11 11 VAL CG1 C 13 18.712 0.18 . . . . . A 11 VAL CG1 . 19628 1 141 . 1 1 11 11 VAL CG2 C 13 22.016 0.18 . . . . . A 11 VAL CG2 . 19628 1 142 . 1 1 11 11 VAL N N 15 119.677 0.11 . . . . . A 11 VAL N . 19628 1 143 . 1 1 12 12 GLY H H 1 8.900 0.008 . . . . . A 12 GLY H . 19628 1 144 . 1 1 12 12 GLY HA2 H 1 3.457 0.008 . . . . . A 12 GLY HA2 . 19628 1 145 . 1 1 12 12 GLY HA3 H 1 5.024 0.008 . . . . . A 12 GLY HA3 . 19628 1 146 . 1 1 12 12 GLY CA C 13 46.567 0.18 . . . . . A 12 GLY CA . 19628 1 147 . 1 1 12 12 GLY N N 15 107.410 0.11 . . . . . A 12 GLY N . 19628 1 148 . 1 1 13 13 GLY H H 1 8.402 0.008 . . . . . A 13 GLY H . 19628 1 149 . 1 1 13 13 GLY HA2 H 1 4.068 0.008 . . . . . A 13 GLY HA2 . 19628 1 150 . 1 1 13 13 GLY HA3 H 1 4.139 0.008 . . . . . A 13 GLY HA3 . 19628 1 151 . 1 1 13 13 GLY C C 13 172.290 0.18 . . . . . A 13 GLY C . 19628 1 152 . 1 1 13 13 GLY CA C 13 45.021 0.18 . . . . . A 13 GLY CA . 19628 1 153 . 1 1 13 13 GLY N N 15 103.550 0.11 . . . . . A 13 GLY N . 19628 1 154 . 1 1 14 14 GLU H H 1 8.628 0.008 . . . . . A 14 GLU H . 19628 1 155 . 1 1 14 14 GLU HA H 1 4.607 0.008 . . . . . A 14 GLU HA . 19628 1 156 . 1 1 14 14 GLU HB2 H 1 2.032 0.008 . . . . . A 14 GLU HB2 . 19628 1 157 . 1 1 14 14 GLU HB3 H 1 2.032 0.008 . . . . . A 14 GLU QB . 19628 1 158 . 1 1 14 14 GLU HG2 H 1 2.458 0.008 . . . . . A 14 GLU HG2 . 19628 1 159 . 1 1 14 14 GLU HG3 H 1 2.188 0.008 . . . . . A 14 GLU HG3 . 19628 1 160 . 1 1 14 14 GLU C C 13 177.819 0.18 . . . . . A 14 GLU C . 19628 1 161 . 1 1 14 14 GLU CA C 13 56.488 0.18 . . . . . A 14 GLU CA . 19628 1 162 . 1 1 14 14 GLU CB C 13 31.001 0.18 . . . . . A 14 GLU CB . 19628 1 163 . 1 1 14 14 GLU CG C 13 37.008 0.18 . . . . . A 14 GLU CG . 19628 1 164 . 1 1 14 14 GLU N N 15 118.735 0.11 . . . . . A 14 GLU N . 19628 1 165 . 1 1 15 15 LEU H H 1 9.143 0.008 . . . . . A 15 LEU H . 19628 1 166 . 1 1 15 15 LEU HA H 1 4.872 0.008 . . . . . A 15 LEU HA . 19628 1 167 . 1 1 15 15 LEU HB2 H 1 1.761 0.008 . . . . . A 15 LEU HB2 . 19628 1 168 . 1 1 15 15 LEU HB3 H 1 1.761 0.008 . . . . . A 15 LEU QB . 19628 1 169 . 1 1 15 15 LEU HG H 1 1.820 0.008 . . . . . A 15 LEU HG . 19628 1 170 . 1 1 15 15 LEU HD11 H 1 0.439 0.008 . . . . . A 15 LEU HD11 . 19628 1 171 . 1 1 15 15 LEU HD12 H 1 0.439 0.008 . . . . . A 15 LEU HD12 . 19628 1 172 . 1 1 15 15 LEU HD13 H 1 0.439 0.008 . . . . . A 15 LEU HD13 . 19628 1 173 . 1 1 15 15 LEU HD21 H 1 1.051 0.008 . . . . . A 15 LEU HD21 . 19628 1 174 . 1 1 15 15 LEU HD22 H 1 1.051 0.008 . . . . . A 15 LEU HD22 . 19628 1 175 . 1 1 15 15 LEU HD23 H 1 1.051 0.008 . . . . . A 15 LEU HD23 . 19628 1 176 . 1 1 15 15 LEU C C 13 178.742 0.18 . . . . . A 15 LEU C . 19628 1 177 . 1 1 15 15 LEU CA C 13 54.321 0.18 . . . . . A 15 LEU CA . 19628 1 178 . 1 1 15 15 LEU CB C 13 42.981 0.18 . . . . . A 15 LEU CB . 19628 1 179 . 1 1 15 15 LEU CG C 13 27.205 0.18 . . . . . A 15 LEU CG . 19628 1 180 . 1 1 15 15 LEU CD1 C 13 23.168 0.18 . . . . . A 15 LEU CD1 . 19628 1 181 . 1 1 15 15 LEU CD2 C 13 26.552 0.18 . . . . . A 15 LEU CD2 . 19628 1 182 . 1 1 15 15 LEU N N 15 125.767 0.11 . . . . . A 15 LEU N . 19628 1 183 . 1 1 16 16 LYS H H 1 8.700 0.008 . . . . . A 16 LYS H . 19628 1 184 . 1 1 16 16 LYS HA H 1 4.157 0.008 . . . . . A 16 LYS HA . 19628 1 185 . 1 1 16 16 LYS HB2 H 1 1.737 0.008 . . . . . A 16 LYS HB2 . 19628 1 186 . 1 1 16 16 LYS HB3 H 1 1.579 0.008 . . . . . A 16 LYS HB3 . 19628 1 187 . 1 1 16 16 LYS HG2 H 1 1.346 0.008 . . . . . A 16 LYS HG2 . 19628 1 188 . 1 1 16 16 LYS HG3 H 1 1.311 0.008 . . . . . A 16 LYS HG3 . 19628 1 189 . 1 1 16 16 LYS HD2 H 1 1.655 0.008 . . . . . A 16 LYS HD2 . 19628 1 190 . 1 1 16 16 LYS HD3 H 1 1.655 0.008 . . . . . A 16 LYS QD . 19628 1 191 . 1 1 16 16 LYS HE2 H 1 3.027 0.008 . . . . . A 16 LYS HE2 . 19628 1 192 . 1 1 16 16 LYS HE3 H 1 3.027 0.008 . . . . . A 16 LYS QE . 19628 1 193 . 1 1 16 16 LYS CA C 13 57.359 0.18 . . . . . A 16 LYS CA . 19628 1 194 . 1 1 16 16 LYS CB C 13 34.874 0.18 . . . . . A 16 LYS CB . 19628 1 195 . 1 1 16 16 LYS CG C 13 26.198 0.18 . . . . . A 16 LYS CG . 19628 1 196 . 1 1 16 16 LYS CD C 13 29.838 0.18 . . . . . A 16 LYS CD . 19628 1 197 . 1 1 16 16 LYS CE C 13 42.386 0.18 . . . . . A 16 LYS CE . 19628 1 198 . 1 1 16 16 LYS N N 15 120.328 0.11 . . . . . A 16 LYS N . 19628 1 199 . 1 1 17 17 ASP H H 1 8.491 0.008 . . . . . A 17 ASP H . 19628 1 200 . 1 1 17 17 ASP HA H 1 4.864 0.008 . . . . . A 17 ASP HA . 19628 1 201 . 1 1 17 17 ASP HB2 H 1 2.610 0.008 . . . . . A 17 ASP HB2 . 19628 1 202 . 1 1 17 17 ASP HB3 H 1 2.774 0.008 . . . . . A 17 ASP HB3 . 19628 1 203 . 1 1 17 17 ASP CA C 13 53.484 0.18 . . . . . A 17 ASP CA . 19628 1 204 . 1 1 17 17 ASP CB C 13 40.908 0.18 . . . . . A 17 ASP CB . 19628 1 205 . 1 1 17 17 ASP N N 15 121.541 0.11 . . . . . A 17 ASP N . 19628 1 206 . 1 1 18 18 VAL H H 1 7.905 0.008 . . . . . A 18 VAL H . 19628 1 207 . 1 1 18 18 VAL HA H 1 4.333 0.008 . . . . . A 18 VAL HA . 19628 1 208 . 1 1 18 18 VAL HB H 1 2.243 0.008 . . . . . A 18 VAL HB . 19628 1 209 . 1 1 18 18 VAL HG11 H 1 0.914 0.008 . . . . . A 18 VAL HG11 . 19628 1 210 . 1 1 18 18 VAL HG12 H 1 0.914 0.008 . . . . . A 18 VAL HG12 . 19628 1 211 . 1 1 18 18 VAL HG13 H 1 0.914 0.008 . . . . . A 18 VAL HG13 . 19628 1 212 . 1 1 18 18 VAL HG21 H 1 0.828 0.008 . . . . . A 18 VAL HG21 . 19628 1 213 . 1 1 18 18 VAL HG22 H 1 0.828 0.008 . . . . . A 18 VAL HG22 . 19628 1 214 . 1 1 18 18 VAL HG23 H 1 0.828 0.008 . . . . . A 18 VAL HG23 . 19628 1 215 . 1 1 18 18 VAL C C 13 175.600 0.18 . . . . . A 18 VAL C . 19628 1 216 . 1 1 18 18 VAL CA C 13 61.089 0.18 . . . . . A 18 VAL CA . 19628 1 217 . 1 1 18 18 VAL CB C 13 34.254 0.18 . . . . . A 18 VAL CB . 19628 1 218 . 1 1 18 18 VAL CG1 C 13 21.740 0.18 . . . . . A 18 VAL CG1 . 19628 1 219 . 1 1 18 18 VAL CG2 C 13 19.359 0.18 . . . . . A 18 VAL CG2 . 19628 1 220 . 1 1 18 18 VAL N N 15 117.413 0.11 . . . . . A 18 VAL N . 19628 1 221 . 1 1 19 19 ALA H H 1 8.238 0.008 . . . . . A 19 ALA H . 19628 1 222 . 1 1 19 19 ALA HA H 1 4.393 0.008 . . . . . A 19 ALA HA . 19628 1 223 . 1 1 19 19 ALA HB1 H 1 1.437 0.008 . . . . . A 19 ALA HB1 . 19628 1 224 . 1 1 19 19 ALA HB2 H 1 1.437 0.008 . . . . . A 19 ALA HB2 . 19628 1 225 . 1 1 19 19 ALA HB3 H 1 1.437 0.008 . . . . . A 19 ALA HB3 . 19628 1 226 . 1 1 19 19 ALA C C 13 178.737 0.18 . . . . . A 19 ALA C . 19628 1 227 . 1 1 19 19 ALA CA C 13 52.941 0.18 . . . . . A 19 ALA CA . 19628 1 228 . 1 1 19 19 ALA CB C 13 18.997 0.18 . . . . . A 19 ALA CB . 19628 1 229 . 1 1 19 19 ALA N N 15 122.852 0.11 . . . . . A 19 ALA N . 19628 1 230 . 1 1 20 20 GLY H H 1 8.055 0.008 . . . . . A 20 GLY H . 19628 1 231 . 1 1 20 20 GLY HA2 H 1 4.071 0.008 . . . . . A 20 GLY HA2 . 19628 1 232 . 1 1 20 20 GLY HA3 H 1 4.003 0.008 . . . . . A 20 GLY HA3 . 19628 1 233 . 1 1 20 20 GLY C C 13 173.316 0.18 . . . . . A 20 GLY C . 19628 1 234 . 1 1 20 20 GLY CA C 13 44.611 0.18 . . . . . A 20 GLY CA . 19628 1 235 . 1 1 20 20 GLY N N 15 107.686 0.11 . . . . . A 20 GLY N . 19628 1 236 . 1 1 21 21 VAL H H 1 8.138 0.008 . . . . . A 21 VAL H . 19628 1 237 . 1 1 21 21 VAL HA H 1 3.950 0.008 . . . . . A 21 VAL HA . 19628 1 238 . 1 1 21 21 VAL HB H 1 1.845 0.008 . . . . . A 21 VAL HB . 19628 1 239 . 1 1 21 21 VAL HG11 H 1 0.770 0.008 . . . . . A 21 VAL HG11 . 19628 1 240 . 1 1 21 21 VAL HG12 H 1 0.770 0.008 . . . . . A 21 VAL HG12 . 19628 1 241 . 1 1 21 21 VAL HG13 H 1 0.770 0.008 . . . . . A 21 VAL HG13 . 19628 1 242 . 1 1 21 21 VAL HG21 H 1 0.264 0.008 . . . . . A 21 VAL HG21 . 19628 1 243 . 1 1 21 21 VAL HG22 H 1 0.264 0.008 . . . . . A 21 VAL HG22 . 19628 1 244 . 1 1 21 21 VAL HG23 H 1 0.264 0.008 . . . . . A 21 VAL HG23 . 19628 1 245 . 1 1 21 21 VAL C C 13 174.804 0.18 . . . . . A 21 VAL C . 19628 1 246 . 1 1 21 21 VAL CA C 13 62.027 0.18 . . . . . A 21 VAL CA . 19628 1 247 . 1 1 21 21 VAL CB C 13 32.034 0.18 . . . . . A 21 VAL CB . 19628 1 248 . 1 1 21 21 VAL CG1 C 13 20.448 0.18 . . . . . A 21 VAL CG1 . 19628 1 249 . 1 1 21 21 VAL CG2 C 13 22.035 0.18 . . . . . A 21 VAL CG2 . 19628 1 250 . 1 1 21 21 VAL N N 15 117.897 0.11 . . . . . A 21 VAL N . 19628 1 251 . 1 1 22 22 GLU H H 1 8.320 0.008 . . . . . A 22 GLU H . 19628 1 252 . 1 1 22 22 GLU HA H 1 4.320 0.008 . . . . . A 22 GLU HA . 19628 1 253 . 1 1 22 22 GLU HB2 H 1 1.801 0.008 . . . . . A 22 GLU HB2 . 19628 1 254 . 1 1 22 22 GLU HB3 H 1 1.750 0.008 . . . . . A 22 GLU HB3 . 19628 1 255 . 1 1 22 22 GLU HG2 H 1 2.113 0.008 . . . . . A 22 GLU HG2 . 19628 1 256 . 1 1 22 22 GLU HG3 H 1 2.236 0.008 . . . . . A 22 GLU HG3 . 19628 1 257 . 1 1 22 22 GLU CA C 13 54.905 0.18 . . . . . A 22 GLU CA . 19628 1 258 . 1 1 22 22 GLU CB C 13 32.883 0.18 . . . . . A 22 GLU CB . 19628 1 259 . 1 1 22 22 GLU CG C 13 36.705 0.18 . . . . . A 22 GLU CG . 19628 1 260 . 1 1 22 22 GLU N N 15 124.637 0.11 . . . . . A 22 GLU N . 19628 1 261 . 1 1 23 23 PHE H H 1 8.955 0.008 . . . . . A 23 PHE H . 19628 1 262 . 1 1 23 23 PHE HA H 1 4.695 0.008 . . . . . A 23 PHE HA . 19628 1 263 . 1 1 23 23 PHE HB2 H 1 2.586 0.008 . . . . . A 23 PHE HB2 . 19628 1 264 . 1 1 23 23 PHE HB3 H 1 3.221 0.008 . . . . . A 23 PHE HB3 . 19628 1 265 . 1 1 23 23 PHE HD1 H 1 7.116 0.008 . . . . . A 23 PHE HD1 . 19628 1 266 . 1 1 23 23 PHE HD2 H 1 7.116 0.008 . . . . . A 23 PHE HD2 . 19628 1 267 . 1 1 23 23 PHE C C 13 177.013 0.18 . . . . . A 23 PHE C . 19628 1 268 . 1 1 23 23 PHE CA C 13 59.019 0.18 . . . . . A 23 PHE CA . 19628 1 269 . 1 1 23 23 PHE CB C 13 38.771 0.18 . . . . . A 23 PHE CB . 19628 1 270 . 1 1 23 23 PHE CD2 C 13 130.592 0.18 . . . . . A 23 PHE CD2 . 19628 1 271 . 1 1 23 23 PHE CE2 C 13 130.067 0.18 . . . . . A 23 PHE CE2 . 19628 1 272 . 1 1 23 23 PHE N N 15 124.102 0.11 . . . . . A 23 PHE N . 19628 1 273 . 1 1 24 24 ARG H H 1 8.753 0.008 . . . . . A 24 ARG H . 19628 1 274 . 1 1 24 24 ARG HA H 1 3.868 0.008 . . . . . A 24 ARG HA . 19628 1 275 . 1 1 24 24 ARG HB2 H 1 1.586 0.008 . . . . . A 24 ARG HB2 . 19628 1 276 . 1 1 24 24 ARG HB3 H 1 1.702 0.008 . . . . . A 24 ARG HB3 . 19628 1 277 . 1 1 24 24 ARG HG2 H 1 1.583 0.008 . . . . . A 24 ARG HG2 . 19628 1 278 . 1 1 24 24 ARG HG3 H 1 1.544 0.008 . . . . . A 24 ARG HG3 . 19628 1 279 . 1 1 24 24 ARG HD2 H 1 3.206 0.008 . . . . . A 24 ARG HD2 . 19628 1 280 . 1 1 24 24 ARG C C 13 176.567 0.18 . . . . . A 24 ARG C . 19628 1 281 . 1 1 24 24 ARG CA C 13 59.302 0.18 . . . . . A 24 ARG CA . 19628 1 282 . 1 1 24 24 ARG CB C 13 30.855 0.18 . . . . . A 24 ARG CB . 19628 1 283 . 1 1 24 24 ARG CG C 13 27.411 0.18 . . . . . A 24 ARG CG . 19628 1 284 . 1 1 24 24 ARG CD C 13 43.522 0.18 . . . . . A 24 ARG CD . 19628 1 285 . 1 1 24 24 ARG N N 15 121.555 0.11 . . . . . A 24 ARG N . 19628 1 286 . 1 1 25 25 ASP H H 1 8.968 0.008 . . . . . A 25 ASP H . 19628 1 287 . 1 1 25 25 ASP HA H 1 4.791 0.008 . . . . . A 25 ASP HA . 19628 1 288 . 1 1 25 25 ASP HB2 H 1 2.754 0.008 . . . . . A 25 ASP HB2 . 19628 1 289 . 1 1 25 25 ASP HB3 H 1 2.494 0.008 . . . . . A 25 ASP HB3 . 19628 1 290 . 1 1 25 25 ASP C C 13 177.266 0.18 . . . . . A 25 ASP C . 19628 1 291 . 1 1 25 25 ASP CA C 13 52.808 0.18 . . . . . A 25 ASP CA . 19628 1 292 . 1 1 25 25 ASP CB C 13 41.962 0.18 . . . . . A 25 ASP CB . 19628 1 293 . 1 1 25 25 ASP N N 15 116.629 0.11 . . . . . A 25 ASP N . 19628 1 294 . 1 1 26 26 LEU H H 1 9.127 0.008 . . . . . A 26 LEU H . 19628 1 295 . 1 1 26 26 LEU HA H 1 3.956 0.008 . . . . . A 26 LEU HA . 19628 1 296 . 1 1 26 26 LEU HB2 H 1 1.742 0.008 . . . . . A 26 LEU HB2 . 19628 1 297 . 1 1 26 26 LEU HB3 H 1 1.414 0.008 . . . . . A 26 LEU HB3 . 19628 1 298 . 1 1 26 26 LEU HG H 1 1.768 0.008 . . . . . A 26 LEU HG . 19628 1 299 . 1 1 26 26 LEU HD11 H 1 0.776 0.008 . . . . . A 26 LEU HD11 . 19628 1 300 . 1 1 26 26 LEU HD12 H 1 0.776 0.008 . . . . . A 26 LEU HD12 . 19628 1 301 . 1 1 26 26 LEU HD13 H 1 0.776 0.008 . . . . . A 26 LEU HD13 . 19628 1 302 . 1 1 26 26 LEU HD21 H 1 0.809 0.008 . . . . . A 26 LEU HD21 . 19628 1 303 . 1 1 26 26 LEU HD22 H 1 0.809 0.008 . . . . . A 26 LEU HD22 . 19628 1 304 . 1 1 26 26 LEU HD23 H 1 0.809 0.008 . . . . . A 26 LEU HD23 . 19628 1 305 . 1 1 26 26 LEU C C 13 178.850 0.18 . . . . . A 26 LEU C . 19628 1 306 . 1 1 26 26 LEU CA C 13 57.354 0.18 . . . . . A 26 LEU CA . 19628 1 307 . 1 1 26 26 LEU CB C 13 40.910 0.18 . . . . . A 26 LEU CB . 19628 1 308 . 1 1 26 26 LEU CG C 13 27.443 0.18 . . . . . A 26 LEU CG . 19628 1 309 . 1 1 26 26 LEU CD1 C 13 24.691 0.18 . . . . . A 26 LEU CD1 . 19628 1 310 . 1 1 26 26 LEU CD2 C 13 26.168 0.18 . . . . . A 26 LEU CD2 . 19628 1 311 . 1 1 26 26 LEU N N 15 125.814 0.11 . . . . . A 26 LEU N . 19628 1 312 . 1 1 27 27 SER H H 1 8.538 0.008 . . . . . A 27 SER H . 19628 1 313 . 1 1 27 27 SER HA H 1 4.454 0.008 . . . . . A 27 SER HA . 19628 1 314 . 1 1 27 27 SER HB2 H 1 4.126 0.008 . . . . . A 27 SER HB2 . 19628 1 315 . 1 1 27 27 SER HB3 H 1 4.032 0.008 . . . . . A 27 SER HB3 . 19628 1 316 . 1 1 27 27 SER C C 13 175.696 0.18 . . . . . A 27 SER C . 19628 1 317 . 1 1 27 27 SER CA C 13 60.804 0.18 . . . . . A 27 SER CA . 19628 1 318 . 1 1 27 27 SER CB C 13 63.311 0.18 . . . . . A 27 SER CB . 19628 1 319 . 1 1 27 27 SER N N 15 113.793 0.11 . . . . . A 27 SER N . 19628 1 320 . 1 1 28 28 LYS H H 1 7.703 0.008 . . . . . A 28 LYS H . 19628 1 321 . 1 1 28 28 LYS HA H 1 4.621 0.008 . . . . . A 28 LYS HA . 19628 1 322 . 1 1 28 28 LYS HB2 H 1 1.704 0.008 . . . . . A 28 LYS HB2 . 19628 1 323 . 1 1 28 28 LYS HB3 H 1 2.227 0.008 . . . . . A 28 LYS HB3 . 19628 1 324 . 1 1 28 28 LYS HG2 H 1 1.295 0.008 . . . . . A 28 LYS HG2 . 19628 1 325 . 1 1 28 28 LYS HG3 H 1 1.440 0.008 . . . . . A 28 LYS HG3 . 19628 1 326 . 1 1 28 28 LYS HD2 H 1 1.722 0.008 . . . . . A 28 LYS HD2 . 19628 1 327 . 1 1 28 28 LYS HD3 H 1 1.656 0.008 . . . . . A 28 LYS HD3 . 19628 1 328 . 1 1 28 28 LYS HE2 H 1 3.006 0.008 . . . . . A 28 LYS HE2 . 19628 1 329 . 1 1 28 28 LYS HE3 H 1 3.006 0.008 . . . . . A 28 LYS QE . 19628 1 330 . 1 1 28 28 LYS C C 13 177.281 0.18 . . . . . A 28 LYS C . 19628 1 331 . 1 1 28 28 LYS CA C 13 54.663 0.18 . . . . . A 28 LYS CA . 19628 1 332 . 1 1 28 28 LYS CB C 13 33.076 0.18 . . . . . A 28 LYS CB . 19628 1 333 . 1 1 28 28 LYS CG C 13 25.072 0.18 . . . . . A 28 LYS CG . 19628 1 334 . 1 1 28 28 LYS CD C 13 28.836 0.18 . . . . . A 28 LYS CD . 19628 1 335 . 1 1 28 28 LYS CE C 13 42.145 0.18 . . . . . A 28 LYS CE . 19628 1 336 . 1 1 28 28 LYS N N 15 120.122 0.11 . . . . . A 28 LYS N . 19628 1 337 . 1 1 29 29 VAL H H 1 6.903 0.008 . . . . . A 29 VAL H . 19628 1 338 . 1 1 29 29 VAL HA H 1 3.873 0.008 . . . . . A 29 VAL HA . 19628 1 339 . 1 1 29 29 VAL HB H 1 1.763 0.008 . . . . . A 29 VAL HB . 19628 1 340 . 1 1 29 29 VAL HG11 H 1 0.421 0.008 . . . . . A 29 VAL HG11 . 19628 1 341 . 1 1 29 29 VAL HG12 H 1 0.421 0.008 . . . . . A 29 VAL HG12 . 19628 1 342 . 1 1 29 29 VAL HG13 H 1 0.421 0.008 . . . . . A 29 VAL HG13 . 19628 1 343 . 1 1 29 29 VAL CA C 13 63.625 0.18 . . . . . A 29 VAL CA . 19628 1 344 . 1 1 29 29 VAL CB C 13 32.440 0.18 . . . . . A 29 VAL CB . 19628 1 345 . 1 1 29 29 VAL CG1 C 13 22.783 0.18 . . . . . A 29 VAL CG1 . 19628 1 346 . 1 1 29 29 VAL N N 15 120.916 0.11 . . . . . A 29 VAL N . 19628 1 347 . 1 1 30 30 GLU H H 1 9.222 0.008 . . . . . A 30 GLU H . 19628 1 348 . 1 1 30 30 GLU HA H 1 4.394 0.008 . . . . . A 30 GLU HA . 19628 1 349 . 1 1 30 30 GLU HB2 H 1 1.900 0.008 . . . . . A 30 GLU HB2 . 19628 1 350 . 1 1 30 30 GLU HB3 H 1 1.900 0.008 . . . . . A 30 GLU QB . 19628 1 351 . 1 1 30 30 GLU HG2 H 1 2.339 0.008 . . . . . A 30 GLU HG2 . 19628 1 352 . 1 1 30 30 GLU HG3 H 1 1.952 0.008 . . . . . A 30 GLU HG3 . 19628 1 353 . 1 1 30 30 GLU CA C 13 54.427 0.18 . . . . . A 30 GLU CA . 19628 1 354 . 1 1 30 30 GLU CB C 13 32.178 0.18 . . . . . A 30 GLU CB . 19628 1 355 . 1 1 30 30 GLU CG C 13 35.814 0.18 . . . . . A 30 GLU CG . 19628 1 356 . 1 1 30 30 GLU N N 15 127.248 0.11 . . . . . A 30 GLU N . 19628 1 357 . 1 1 31 31 PHE H H 1 8.809 0.008 . . . . . A 31 PHE H . 19628 1 358 . 1 1 31 31 PHE HA H 1 4.476 0.008 . . . . . A 31 PHE HA . 19628 1 359 . 1 1 31 31 PHE HB2 H 1 1.620 0.008 . . . . . A 31 PHE HB2 . 19628 1 360 . 1 1 31 31 PHE HB3 H 1 1.727 0.008 . . . . . A 31 PHE HB3 . 19628 1 361 . 1 1 31 31 PHE HD1 H 1 6.933 0.008 . . . . . A 31 PHE HD1 . 19628 1 362 . 1 1 31 31 PHE HE1 H 1 7.179 0.008 . . . . . A 31 PHE HE1 . 19628 1 363 . 1 1 31 31 PHE HE2 H 1 7.179 0.008 . . . . . A 31 PHE HE2 . 19628 1 364 . 1 1 31 31 PHE CA C 13 56.433 0.18 . . . . . A 31 PHE CA . 19628 1 365 . 1 1 31 31 PHE CB C 13 35.635 0.18 . . . . . A 31 PHE CB . 19628 1 366 . 1 1 31 31 PHE CD1 C 13 131.645 0.18 . . . . . A 31 PHE CD1 . 19628 1 367 . 1 1 31 31 PHE CD2 C 13 131.645 0.18 . . . . . A 31 PHE CD2 . 19628 1 368 . 1 1 31 31 PHE CE1 C 13 129.434 0.18 . . . . . A 31 PHE CE1 . 19628 1 369 . 1 1 31 31 PHE N N 15 126.351 0.11 . . . . . A 31 PHE N . 19628 1 370 . 1 1 32 32 VAL H H 1 8.397 0.008 . . . . . A 32 VAL H . 19628 1 371 . 1 1 32 32 VAL HA H 1 3.867 0.008 . . . . . A 32 VAL HA . 19628 1 372 . 1 1 32 32 VAL HB H 1 1.848 0.008 . . . . . A 32 VAL HB . 19628 1 373 . 1 1 32 32 VAL HG11 H 1 0.892 0.008 . . . . . A 32 VAL HG11 . 19628 1 374 . 1 1 32 32 VAL HG12 H 1 0.892 0.008 . . . . . A 32 VAL HG12 . 19628 1 375 . 1 1 32 32 VAL HG13 H 1 0.892 0.008 . . . . . A 32 VAL HG13 . 19628 1 376 . 1 1 32 32 VAL HG21 H 1 0.865 0.008 . . . . . A 32 VAL HG21 . 19628 1 377 . 1 1 32 32 VAL HG22 H 1 0.865 0.008 . . . . . A 32 VAL HG22 . 19628 1 378 . 1 1 32 32 VAL HG23 H 1 0.865 0.008 . . . . . A 32 VAL HG23 . 19628 1 379 . 1 1 32 32 VAL CA C 13 64.020 0.18 . . . . . A 32 VAL CA . 19628 1 380 . 1 1 32 32 VAL CB C 13 32.074 0.18 . . . . . A 32 VAL CB . 19628 1 381 . 1 1 32 32 VAL CG1 C 13 23.526 0.18 . . . . . A 32 VAL CG1 . 19628 1 382 . 1 1 32 32 VAL CG2 C 13 20.468 0.18 . . . . . A 32 VAL CG2 . 19628 1 383 . 1 1 32 32 VAL N N 15 128.354 0.11 . . . . . A 32 VAL N . 19628 1 384 . 1 1 33 33 GLY H H 1 8.167 0.008 . . . . . A 33 GLY H . 19628 1 385 . 1 1 33 33 GLY HA2 H 1 3.997 0.008 . . . . . A 33 GLY HA2 . 19628 1 386 . 1 1 33 33 GLY HA3 H 1 3.266 0.008 . . . . . A 33 GLY HA3 . 19628 1 387 . 1 1 33 33 GLY CA C 13 45.766 0.18 . . . . . A 33 GLY CA . 19628 1 388 . 1 1 33 33 GLY N N 15 107.690 0.11 . . . . . A 33 GLY N . 19628 1 389 . 1 1 34 34 ALA H H 1 8.180 0.008 . . . . . A 34 ALA H . 19628 1 390 . 1 1 34 34 ALA HA H 1 5.154 0.008 . . . . . A 34 ALA HA . 19628 1 391 . 1 1 34 34 ALA HB1 H 1 1.341 0.008 . . . . . A 34 ALA HB1 . 19628 1 392 . 1 1 34 34 ALA HB2 H 1 1.341 0.008 . . . . . A 34 ALA HB2 . 19628 1 393 . 1 1 34 34 ALA HB3 H 1 1.341 0.008 . . . . . A 34 ALA HB3 . 19628 1 394 . 1 1 34 34 ALA CA C 13 49.819 0.18 . . . . . A 34 ALA CA . 19628 1 395 . 1 1 34 34 ALA CB C 13 21.862 0.18 . . . . . A 34 ALA CB . 19628 1 396 . 1 1 34 34 ALA N N 15 120.706 0.11 . . . . . A 34 ALA N . 19628 1 397 . 1 1 35 35 TYR H H 1 9.184 0.008 . . . . . A 35 TYR H . 19628 1 398 . 1 1 35 35 TYR HA H 1 4.943 0.008 . . . . . A 35 TYR HA . 19628 1 399 . 1 1 35 35 TYR HB3 H 1 3.230 0.008 . . . . . A 35 TYR HB3 . 19628 1 400 . 1 1 35 35 TYR HD1 H 1 7.030 0.008 . . . . . A 35 TYR HD1 . 19628 1 401 . 1 1 35 35 TYR HD2 H 1 7.030 0.008 . . . . . A 35 TYR HD2 . 19628 1 402 . 1 1 35 35 TYR CA C 13 56.327 0.18 . . . . . A 35 TYR CA . 19628 1 403 . 1 1 35 35 TYR CB C 13 42.558 0.18 . . . . . A 35 TYR CB . 19628 1 404 . 1 1 35 35 TYR CD1 C 13 132.204 0.18 . . . . . A 35 TYR CD1 . 19628 1 405 . 1 1 35 35 TYR CD2 C 13 132.186 0.18 . . . . . A 35 TYR CD2 . 19628 1 406 . 1 1 35 35 TYR CE1 C 13 118.868 0.18 . . . . . A 35 TYR CE1 . 19628 1 407 . 1 1 35 35 TYR N N 15 115.457 0.11 . . . . . A 35 TYR N . 19628 1 408 . 1 1 36 36 PRO HA H 1 4.660 0.008 . . . . . A 36 PRO HA . 19628 1 409 . 1 1 36 36 PRO HB2 H 1 2.224 0.008 . . . . . A 36 PRO HB2 . 19628 1 410 . 1 1 36 36 PRO HB3 H 1 2.487 0.008 . . . . . A 36 PRO HB3 . 19628 1 411 . 1 1 36 36 PRO HG2 H 1 2.393 0.008 . . . . . A 36 PRO HG2 . 19628 1 412 . 1 1 36 36 PRO HG3 H 1 2.134 0.008 . . . . . A 36 PRO HG3 . 19628 1 413 . 1 1 36 36 PRO HD2 H 1 3.944 0.008 . . . . . A 36 PRO HD2 . 19628 1 414 . 1 1 36 36 PRO HD3 H 1 3.944 0.008 . . . . . A 36 PRO QD . 19628 1 415 . 1 1 36 36 PRO C C 13 174.733 0.18 . . . . . A 36 PRO C . 19628 1 416 . 1 1 36 36 PRO CA C 13 63.939 0.18 . . . . . A 36 PRO CA . 19628 1 417 . 1 1 36 36 PRO CB C 13 32.367 0.18 . . . . . A 36 PRO CB . 19628 1 418 . 1 1 36 36 PRO CG C 13 26.885 0.18 . . . . . A 36 PRO CG . 19628 1 419 . 1 1 36 36 PRO CD C 13 50.590 0.18 . . . . . A 36 PRO CD . 19628 1 420 . 1 1 37 37 SER H H 1 7.325 0.008 . . . . . A 37 SER H . 19628 1 421 . 1 1 37 37 SER HA H 1 4.819 0.008 . . . . . A 37 SER HA . 19628 1 422 . 1 1 37 37 SER HB2 H 1 4.228 0.008 . . . . . A 37 SER HB2 . 19628 1 423 . 1 1 37 37 SER HB3 H 1 4.144 0.008 . . . . . A 37 SER HB3 . 19628 1 424 . 1 1 37 37 SER C C 13 173.943 0.18 . . . . . A 37 SER C . 19628 1 425 . 1 1 37 37 SER CA C 13 56.502 0.18 . . . . . A 37 SER CA . 19628 1 426 . 1 1 37 37 SER CB C 13 66.351 0.18 . . . . . A 37 SER CB . 19628 1 427 . 1 1 37 37 SER N N 15 109.883 0.11 . . . . . A 37 SER N . 19628 1 428 . 1 1 38 38 TYR H H 1 9.212 0.008 . . . . . A 38 TYR H . 19628 1 429 . 1 1 38 38 TYR HA H 1 3.051 0.008 . . . . . A 38 TYR HA . 19628 1 430 . 1 1 38 38 TYR HB2 H 1 2.788 0.008 . . . . . A 38 TYR HB2 . 19628 1 431 . 1 1 38 38 TYR HB3 H 1 2.683 0.008 . . . . . A 38 TYR HB3 . 19628 1 432 . 1 1 38 38 TYR HD1 H 1 6.951 0.008 . . . . . A 38 TYR HD1 . 19628 1 433 . 1 1 38 38 TYR HD2 H 1 6.951 0.008 . . . . . A 38 TYR HD2 . 19628 1 434 . 1 1 38 38 TYR HE1 H 1 6.534 0.008 . . . . . A 38 TYR HE1 . 19628 1 435 . 1 1 38 38 TYR HE2 H 1 6.534 0.008 . . . . . A 38 TYR HE2 . 19628 1 436 . 1 1 38 38 TYR C C 13 177.295 0.18 . . . . . A 38 TYR C . 19628 1 437 . 1 1 38 38 TYR CA C 13 62.073 0.18 . . . . . A 38 TYR CA . 19628 1 438 . 1 1 38 38 TYR CB C 13 37.664 0.18 . . . . . A 38 TYR CB . 19628 1 439 . 1 1 38 38 TYR CD1 C 13 131.952 0.18 . . . . . A 38 TYR CD1 . 19628 1 440 . 1 1 38 38 TYR CD2 C 13 131.952 0.18 . . . . . A 38 TYR CD2 . 19628 1 441 . 1 1 38 38 TYR CE1 C 13 117.076 0.18 . . . . . A 38 TYR CE1 . 19628 1 442 . 1 1 38 38 TYR CE2 C 13 117.076 0.18 . . . . . A 38 TYR CE2 . 19628 1 443 . 1 1 38 38 TYR N N 15 122.819 0.11 . . . . . A 38 TYR N . 19628 1 444 . 1 1 39 39 ASP H H 1 8.556 0.008 . . . . . A 39 ASP H . 19628 1 445 . 1 1 39 39 ASP HA H 1 4.221 0.008 . . . . . A 39 ASP HA . 19628 1 446 . 1 1 39 39 ASP HB2 H 1 2.616 0.008 . . . . . A 39 ASP HB2 . 19628 1 447 . 1 1 39 39 ASP HB3 H 1 2.646 0.008 . . . . . A 39 ASP HB3 . 19628 1 448 . 1 1 39 39 ASP C C 13 179.740 0.18 . . . . . A 39 ASP C . 19628 1 449 . 1 1 39 39 ASP CA C 13 57.754 0.18 . . . . . A 39 ASP CA . 19628 1 450 . 1 1 39 39 ASP CB C 13 40.895 0.18 . . . . . A 39 ASP CB . 19628 1 451 . 1 1 39 39 ASP N N 15 116.964 0.11 . . . . . A 39 ASP N . 19628 1 452 . 1 1 40 40 GLU H H 1 7.762 0.008 . . . . . A 40 GLU H . 19628 1 453 . 1 1 40 40 GLU HA H 1 3.969 0.008 . . . . . A 40 GLU HA . 19628 1 454 . 1 1 40 40 GLU HB2 H 1 2.352 0.008 . . . . . A 40 GLU HB2 . 19628 1 455 . 1 1 40 40 GLU HB3 H 1 1.953 0.008 . . . . . A 40 GLU HB3 . 19628 1 456 . 1 1 40 40 GLU HG2 H 1 2.433 0.008 . . . . . A 40 GLU HG2 . 19628 1 457 . 1 1 40 40 GLU HG3 H 1 2.313 0.008 . . . . . A 40 GLU HG3 . 19628 1 458 . 1 1 40 40 GLU C C 13 178.947 0.18 . . . . . A 40 GLU C . 19628 1 459 . 1 1 40 40 GLU CA C 13 59.212 0.18 . . . . . A 40 GLU CA . 19628 1 460 . 1 1 40 40 GLU CB C 13 30.282 0.18 . . . . . A 40 GLU CB . 19628 1 461 . 1 1 40 40 GLU CG C 13 37.306 0.18 . . . . . A 40 GLU CG . 19628 1 462 . 1 1 40 40 GLU N N 15 116.783 0.11 . . . . . A 40 GLU N . 19628 1 463 . 1 1 41 41 ALA H H 1 7.325 0.008 . . . . . A 41 ALA H . 19628 1 464 . 1 1 41 41 ALA HA H 1 3.040 0.008 . . . . . A 41 ALA HA . 19628 1 465 . 1 1 41 41 ALA HB1 H 1 1.183 0.008 . . . . . A 41 ALA HB1 . 19628 1 466 . 1 1 41 41 ALA HB2 H 1 1.183 0.008 . . . . . A 41 ALA HB2 . 19628 1 467 . 1 1 41 41 ALA HB3 H 1 1.183 0.008 . . . . . A 41 ALA HB3 . 19628 1 468 . 1 1 41 41 ALA C C 13 178.474 0.18 . . . . . A 41 ALA C . 19628 1 469 . 1 1 41 41 ALA CA C 13 54.115 0.18 . . . . . A 41 ALA CA . 19628 1 470 . 1 1 41 41 ALA CB C 13 18.548 0.18 . . . . . A 41 ALA CB . 19628 1 471 . 1 1 41 41 ALA N N 15 122.522 0.11 . . . . . A 41 ALA N . 19628 1 472 . 1 1 42 42 HIS H H 1 9.119 0.008 . . . . . A 42 HIS H . 19628 1 473 . 1 1 42 42 HIS HA H 1 3.850 0.008 . . . . . A 42 HIS HA . 19628 1 474 . 1 1 42 42 HIS HB2 H 1 2.362 0.008 . . . . . A 42 HIS HB2 . 19628 1 475 . 1 1 42 42 HIS HB3 H 1 3.031 0.008 . . . . . A 42 HIS HB3 . 19628 1 476 . 1 1 42 42 HIS HD2 H 1 6.710 0.008 . . . . . A 42 HIS HD2 . 19628 1 477 . 1 1 42 42 HIS C C 13 177.400 0.18 . . . . . A 42 HIS C . 19628 1 478 . 1 1 42 42 HIS CA C 13 60.187 0.18 . . . . . A 42 HIS CA . 19628 1 479 . 1 1 42 42 HIS CB C 13 29.999 0.18 . . . . . A 42 HIS CB . 19628 1 480 . 1 1 42 42 HIS CD2 C 13 117.721 0.18 . . . . . A 42 HIS CD2 . 19628 1 481 . 1 1 42 42 HIS N N 15 118.486 0.11 . . . . . A 42 HIS N . 19628 1 482 . 1 1 43 43 LYS H H 1 7.574 0.008 . . . . . A 43 LYS H . 19628 1 483 . 1 1 43 43 LYS HA H 1 3.855 0.008 . . . . . A 43 LYS HA . 19628 1 484 . 1 1 43 43 LYS HB2 H 1 1.837 0.008 . . . . . A 43 LYS HB2 . 19628 1 485 . 1 1 43 43 LYS HB3 H 1 1.730 0.008 . . . . . A 43 LYS HB3 . 19628 1 486 . 1 1 43 43 LYS HG2 H 1 1.400 0.008 . . . . . A 43 LYS HG2 . 19628 1 487 . 1 1 43 43 LYS HG3 H 1 1.655 0.008 . . . . . A 43 LYS HG3 . 19628 1 488 . 1 1 43 43 LYS HD2 H 1 1.664 0.008 . . . . . A 43 LYS HD2 . 19628 1 489 . 1 1 43 43 LYS HD3 H 1 1.664 0.008 . . . . . A 43 LYS QD . 19628 1 490 . 1 1 43 43 LYS HE2 H 1 2.932 0.008 . . . . . A 43 LYS HE2 . 19628 1 491 . 1 1 43 43 LYS HE3 H 1 2.932 0.008 . . . . . A 43 LYS QE . 19628 1 492 . 1 1 43 43 LYS CA C 13 60.084 0.18 . . . . . A 43 LYS CA . 19628 1 493 . 1 1 43 43 LYS CB C 13 32.696 0.18 . . . . . A 43 LYS CB . 19628 1 494 . 1 1 43 43 LYS CG C 13 25.509 0.18 . . . . . A 43 LYS CG . 19628 1 495 . 1 1 43 43 LYS CD C 13 29.855 0.18 . . . . . A 43 LYS CD . 19628 1 496 . 1 1 43 43 LYS CE C 13 42.185 0.18 . . . . . A 43 LYS CE . 19628 1 497 . 1 1 43 43 LYS N N 15 118.483 0.11 . . . . . A 43 LYS N . 19628 1 498 . 1 1 44 44 ALA H H 1 6.955 0.008 . . . . . A 44 ALA H . 19628 1 499 . 1 1 44 44 ALA HA H 1 3.967 0.008 . . . . . A 44 ALA HA . 19628 1 500 . 1 1 44 44 ALA HB1 H 1 1.111 0.008 . . . . . A 44 ALA HB1 . 19628 1 501 . 1 1 44 44 ALA HB2 H 1 1.111 0.008 . . . . . A 44 ALA HB2 . 19628 1 502 . 1 1 44 44 ALA HB3 H 1 1.111 0.008 . . . . . A 44 ALA HB3 . 19628 1 503 . 1 1 44 44 ALA C C 13 180.412 0.18 . . . . . A 44 ALA C . 19628 1 504 . 1 1 44 44 ALA CA C 13 54.705 0.18 . . . . . A 44 ALA CA . 19628 1 505 . 1 1 44 44 ALA CB C 13 19.059 0.18 . . . . . A 44 ALA CB . 19628 1 506 . 1 1 44 44 ALA N N 15 121.891 0.11 . . . . . A 44 ALA N . 19628 1 507 . 1 1 45 45 TRP H H 1 8.742 0.008 . . . . . A 45 TRP H . 19628 1 508 . 1 1 45 45 TRP HA H 1 3.434 0.008 . . . . . A 45 TRP HA . 19628 1 509 . 1 1 45 45 TRP HB2 H 1 3.520 0.008 . . . . . A 45 TRP HB2 . 19628 1 510 . 1 1 45 45 TRP HB3 H 1 2.886 0.008 . . . . . A 45 TRP HB3 . 19628 1 511 . 1 1 45 45 TRP HD1 H 1 6.646 0.008 . . . . . A 45 TRP HD1 . 19628 1 512 . 1 1 45 45 TRP HE1 H 1 9.523 0.008 . . . . . A 45 TRP HE1 . 19628 1 513 . 1 1 45 45 TRP HE3 H 1 7.087 0.008 . . . . . A 45 TRP HE3 . 19628 1 514 . 1 1 45 45 TRP HZ2 H 1 7.508 0.008 . . . . . A 45 TRP HZ2 . 19628 1 515 . 1 1 45 45 TRP HZ3 H 1 6.879 0.008 . . . . . A 45 TRP HZ3 . 19628 1 516 . 1 1 45 45 TRP HH2 H 1 7.087 0.008 . . . . . A 45 TRP HH2 . 19628 1 517 . 1 1 45 45 TRP C C 13 176.748 0.18 . . . . . A 45 TRP C . 19628 1 518 . 1 1 45 45 TRP CA C 13 62.540 0.18 . . . . . A 45 TRP CA . 19628 1 519 . 1 1 45 45 TRP CB C 13 29.142 0.18 . . . . . A 45 TRP CB . 19628 1 520 . 1 1 45 45 TRP CD1 C 13 123.878 0.18 . . . . . A 45 TRP CD1 . 19628 1 521 . 1 1 45 45 TRP CE3 C 13 123.441 0.18 . . . . . A 45 TRP CE3 . 19628 1 522 . 1 1 45 45 TRP CZ2 C 13 113.763 0.18 . . . . . A 45 TRP CZ2 . 19628 1 523 . 1 1 45 45 TRP CZ3 C 13 127.138 0.18 . . . . . A 45 TRP CZ3 . 19628 1 524 . 1 1 45 45 TRP CH2 C 13 119.445 0.18 . . . . . A 45 TRP CH2 . 19628 1 525 . 1 1 45 45 TRP N N 15 119.065 0.11 . . . . . A 45 TRP N . 19628 1 526 . 1 1 45 45 TRP NE1 N 15 129.475 0.11 . . . . . A 45 TRP NE1 . 19628 1 527 . 1 1 46 46 LYS H H 1 8.666 0.008 . . . . . A 46 LYS H . 19628 1 528 . 1 1 46 46 LYS HA H 1 2.943 0.008 . . . . . A 46 LYS HA . 19628 1 529 . 1 1 46 46 LYS HB2 H 1 1.724 0.008 . . . . . A 46 LYS HB2 . 19628 1 530 . 1 1 46 46 LYS HG2 H 1 1.402 0.008 . . . . . A 46 LYS HG2 . 19628 1 531 . 1 1 46 46 LYS HG3 H 1 1.402 0.008 . . . . . A 46 LYS QG . 19628 1 532 . 1 1 46 46 LYS C C 13 178.523 0.18 . . . . . A 46 LYS C . 19628 1 533 . 1 1 46 46 LYS CA C 13 59.287 0.18 . . . . . A 46 LYS CA . 19628 1 534 . 1 1 46 46 LYS CB C 13 32.537 0.18 . . . . . A 46 LYS CB . 19628 1 535 . 1 1 46 46 LYS CG C 13 25.166 0.18 . . . . . A 46 LYS CG . 19628 1 536 . 1 1 46 46 LYS N N 15 119.011 0.11 . . . . . A 46 LYS N . 19628 1 537 . 1 1 47 47 ALA H H 1 7.095 0.008 . . . . . A 47 ALA H . 19628 1 538 . 1 1 47 47 ALA HA H 1 3.960 0.008 . . . . . A 47 ALA HA . 19628 1 539 . 1 1 47 47 ALA HB1 H 1 1.354 0.008 . . . . . A 47 ALA HB1 . 19628 1 540 . 1 1 47 47 ALA HB2 H 1 1.354 0.008 . . . . . A 47 ALA HB2 . 19628 1 541 . 1 1 47 47 ALA HB3 H 1 1.354 0.008 . . . . . A 47 ALA HB3 . 19628 1 542 . 1 1 47 47 ALA C C 13 180.604 0.18 . . . . . A 47 ALA C . 19628 1 543 . 1 1 47 47 ALA CA C 13 54.203 0.18 . . . . . A 47 ALA CA . 19628 1 544 . 1 1 47 47 ALA CB C 13 18.167 0.18 . . . . . A 47 ALA CB . 19628 1 545 . 1 1 47 47 ALA N N 15 118.189 0.11 . . . . . A 47 ALA N . 19628 1 546 . 1 1 48 48 LYS H H 1 7.018 0.008 . . . . . A 48 LYS H . 19628 1 547 . 1 1 48 48 LYS HA H 1 3.760 0.008 . . . . . A 48 LYS HA . 19628 1 548 . 1 1 48 48 LYS HB2 H 1 0.373 0.008 . . . . . A 48 LYS HB2 . 19628 1 549 . 1 1 48 48 LYS HB3 H 1 1.034 0.008 . . . . . A 48 LYS HB3 . 19628 1 550 . 1 1 48 48 LYS HG2 H 1 0.893 0.008 . . . . . A 48 LYS HG2 . 19628 1 551 . 1 1 48 48 LYS HG3 H 1 0.504 0.008 . . . . . A 48 LYS HG3 . 19628 1 552 . 1 1 48 48 LYS HD2 H 1 1.325 0.008 . . . . . A 48 LYS HD2 . 19628 1 553 . 1 1 48 48 LYS HD3 H 1 1.266 0.008 . . . . . A 48 LYS HD3 . 19628 1 554 . 1 1 48 48 LYS HE2 H 1 2.623 0.008 . . . . . A 48 LYS HE2 . 19628 1 555 . 1 1 48 48 LYS HE3 H 1 2.589 0.008 . . . . . A 48 LYS HE3 . 19628 1 556 . 1 1 48 48 LYS C C 13 178.378 0.18 . . . . . A 48 LYS C . 19628 1 557 . 1 1 48 48 LYS CA C 13 55.937 0.18 . . . . . A 48 LYS CA . 19628 1 558 . 1 1 48 48 LYS CB C 13 30.409 0.18 . . . . . A 48 LYS CB . 19628 1 559 . 1 1 48 48 LYS CG C 13 23.595 0.18 . . . . . A 48 LYS CG . 19628 1 560 . 1 1 48 48 LYS CD C 13 27.547 0.18 . . . . . A 48 LYS CD . 19628 1 561 . 1 1 48 48 LYS CE C 13 42.006 0.18 . . . . . A 48 LYS CE . 19628 1 562 . 1 1 48 48 LYS N N 15 116.778 0.11 . . . . . A 48 LYS N . 19628 1 563 . 1 1 49 49 ALA H H 1 8.138 0.008 . . . . . A 49 ALA H . 19628 1 564 . 1 1 49 49 ALA HA H 1 3.760 0.008 . . . . . A 49 ALA HA . 19628 1 565 . 1 1 49 49 ALA HB1 H 1 0.450 0.008 . . . . . A 49 ALA HB1 . 19628 1 566 . 1 1 49 49 ALA HB2 H 1 0.450 0.008 . . . . . A 49 ALA HB2 . 19628 1 567 . 1 1 49 49 ALA HB3 H 1 0.450 0.008 . . . . . A 49 ALA HB3 . 19628 1 568 . 1 1 49 49 ALA C C 13 180.075 0.18 . . . . . A 49 ALA C . 19628 1 569 . 1 1 49 49 ALA CA C 13 54.077 0.18 . . . . . A 49 ALA CA . 19628 1 570 . 1 1 49 49 ALA CB C 13 17.622 0.18 . . . . . A 49 ALA CB . 19628 1 571 . 1 1 49 49 ALA N N 15 121.343 0.11 . . . . . A 49 ALA N . 19628 1 572 . 1 1 50 50 GLN H H 1 7.581 0.008 . . . . . A 50 GLN H . 19628 1 573 . 1 1 50 50 GLN HA H 1 4.119 0.008 . . . . . A 50 GLN HA . 19628 1 574 . 1 1 50 50 GLN HB2 H 1 1.998 0.008 . . . . . A 50 GLN HB2 . 19628 1 575 . 1 1 50 50 GLN HB3 H 1 2.036 0.008 . . . . . A 50 GLN HB3 . 19628 1 576 . 1 1 50 50 GLN HG2 H 1 2.333 0.008 . . . . . A 50 GLN HG2 . 19628 1 577 . 1 1 50 50 GLN HG3 H 1 2.333 0.008 . . . . . A 50 GLN QG . 19628 1 578 . 1 1 50 50 GLN HE21 H 1 6.806 0.008 . . . . . A 50 GLN HE21 . 19628 1 579 . 1 1 50 50 GLN HE22 H 1 7.383 0.008 . . . . . A 50 GLN HE22 . 19628 1 580 . 1 1 50 50 GLN C C 13 176.838 0.18 . . . . . A 50 GLN C . 19628 1 581 . 1 1 50 50 GLN CA C 13 56.643 0.18 . . . . . A 50 GLN CA . 19628 1 582 . 1 1 50 50 GLN CB C 13 28.810 0.18 . . . . . A 50 GLN CB . 19628 1 583 . 1 1 50 50 GLN CG C 13 34.208 0.18 . . . . . A 50 GLN CG . 19628 1 584 . 1 1 50 50 GLN N N 15 114.507 0.11 . . . . . A 50 GLN N . 19628 1 585 . 1 1 50 50 GLN NE2 N 15 110.875 0.11 . . . . . A 50 GLN NE2 . 19628 1 586 . 1 1 51 51 ALA H H 1 7.346 0.008 . . . . . A 51 ALA H . 19628 1 587 . 1 1 51 51 ALA HA H 1 4.378 0.008 . . . . . A 51 ALA HA . 19628 1 588 . 1 1 51 51 ALA HB1 H 1 1.454 0.008 . . . . . A 51 ALA HB1 . 19628 1 589 . 1 1 51 51 ALA HB2 H 1 1.454 0.008 . . . . . A 51 ALA HB2 . 19628 1 590 . 1 1 51 51 ALA HB3 H 1 1.454 0.008 . . . . . A 51 ALA HB3 . 19628 1 591 . 1 1 51 51 ALA C C 13 178.394 0.18 . . . . . A 51 ALA C . 19628 1 592 . 1 1 51 51 ALA CA C 13 52.823 0.18 . . . . . A 51 ALA CA . 19628 1 593 . 1 1 51 51 ALA CB C 13 19.355 0.18 . . . . . A 51 ALA CB . 19628 1 594 . 1 1 51 51 ALA N N 15 121.078 0.11 . . . . . A 51 ALA N . 19628 1 595 . 1 1 52 52 THR H H 1 7.693 0.008 . . . . . A 52 THR H . 19628 1 596 . 1 1 52 52 THR HA H 1 4.443 0.008 . . . . . A 52 THR HA . 19628 1 597 . 1 1 52 52 THR HB H 1 4.365 0.008 . . . . . A 52 THR HB . 19628 1 598 . 1 1 52 52 THR HG21 H 1 1.298 0.008 . . . . . A 52 THR HG21 . 19628 1 599 . 1 1 52 52 THR HG22 H 1 1.298 0.008 . . . . . A 52 THR HG22 . 19628 1 600 . 1 1 52 52 THR HG23 H 1 1.298 0.008 . . . . . A 52 THR HG23 . 19628 1 601 . 1 1 52 52 THR C C 13 175.345 0.18 . . . . . A 52 THR C . 19628 1 602 . 1 1 52 52 THR CA C 13 61.884 0.18 . . . . . A 52 THR CA . 19628 1 603 . 1 1 52 52 THR CB C 13 69.455 0.18 . . . . . A 52 THR CB . 19628 1 604 . 1 1 52 52 THR CG2 C 13 21.926 0.18 . . . . . A 52 THR CG2 . 19628 1 605 . 1 1 52 52 THR N N 15 111.735 0.11 . . . . . A 52 THR N . 19628 1 606 . 1 1 53 53 VAL H H 1 7.819 0.008 . . . . . A 53 VAL H . 19628 1 607 . 1 1 53 53 VAL HA H 1 4.135 0.008 . . . . . A 53 VAL HA . 19628 1 608 . 1 1 53 53 VAL HB H 1 2.189 0.008 . . . . . A 53 VAL HB . 19628 1 609 . 1 1 53 53 VAL HG11 H 1 0.981 0.008 . . . . . A 53 VAL HG11 . 19628 1 610 . 1 1 53 53 VAL HG12 H 1 0.981 0.008 . . . . . A 53 VAL HG12 . 19628 1 611 . 1 1 53 53 VAL HG13 H 1 0.981 0.008 . . . . . A 53 VAL HG13 . 19628 1 612 . 1 1 53 53 VAL HG21 H 1 0.981 0.008 . . . . . A 53 VAL HG21 . 19628 1 613 . 1 1 53 53 VAL HG22 H 1 0.981 0.008 . . . . . A 53 VAL HG22 . 19628 1 614 . 1 1 53 53 VAL HG23 H 1 0.981 0.008 . . . . . A 53 VAL HG23 . 19628 1 615 . 1 1 53 53 VAL C C 13 176.425 0.18 . . . . . A 53 VAL C . 19628 1 616 . 1 1 53 53 VAL CA C 13 63.005 0.18 . . . . . A 53 VAL CA . 19628 1 617 . 1 1 53 53 VAL CB C 13 32.723 0.18 . . . . . A 53 VAL CB . 19628 1 618 . 1 1 53 53 VAL CG1 C 13 21.207 0.18 . . . . . A 53 VAL CG1 . 19628 1 619 . 1 1 53 53 VAL CG2 C 13 20.519 0.18 . . . . . A 53 VAL CG2 . 19628 1 620 . 1 1 53 53 VAL N N 15 120.702 0.11 . . . . . A 53 VAL N . 19628 1 621 . 1 1 54 54 ASP H H 1 8.269 0.008 . . . . . A 54 ASP H . 19628 1 622 . 1 1 54 54 ASP HA H 1 4.606 0.008 . . . . . A 54 ASP HA . 19628 1 623 . 1 1 54 54 ASP HB2 H 1 2.693 0.008 . . . . . A 54 ASP HB2 . 19628 1 624 . 1 1 54 54 ASP HB3 H 1 2.778 0.008 . . . . . A 54 ASP HB3 . 19628 1 625 . 1 1 54 54 ASP C C 13 176.471 0.18 . . . . . A 54 ASP C . 19628 1 626 . 1 1 54 54 ASP CA C 13 54.740 0.18 . . . . . A 54 ASP CA . 19628 1 627 . 1 1 54 54 ASP CB C 13 41.158 0.18 . . . . . A 54 ASP CB . 19628 1 628 . 1 1 54 54 ASP N N 15 120.122 0.11 . . . . . A 54 ASP N . 19628 1 629 . 1 1 55 55 ASN H H 1 8.196 0.008 . . . . . A 55 ASN H . 19628 1 630 . 1 1 55 55 ASN HA H 1 4.767 0.008 . . . . . A 55 ASN HA . 19628 1 631 . 1 1 55 55 ASN HB2 H 1 2.978 0.008 . . . . . A 55 ASN HB2 . 19628 1 632 . 1 1 55 55 ASN HB3 H 1 2.830 0.008 . . . . . A 55 ASN HB3 . 19628 1 633 . 1 1 55 55 ASN HD21 H 1 7.618 0.008 . . . . . A 55 ASN HD21 . 19628 1 634 . 1 1 55 55 ASN HD22 H 1 7.037 0.008 . . . . . A 55 ASN HD22 . 19628 1 635 . 1 1 55 55 ASN C C 13 175.457 0.18 . . . . . A 55 ASN C . 19628 1 636 . 1 1 55 55 ASN CA C 13 53.082 0.18 . . . . . A 55 ASN CA . 19628 1 637 . 1 1 55 55 ASN CB C 13 38.700 0.18 . . . . . A 55 ASN CB . 19628 1 638 . 1 1 55 55 ASN N N 15 117.542 0.11 . . . . . A 55 ASN N . 19628 1 639 . 1 1 55 55 ASN ND2 N 15 111.758 0.11 . . . . . A 55 ASN ND2 . 19628 1 640 . 1 1 56 56 ALA H H 1 8.288 0.008 . . . . . A 56 ALA H . 19628 1 641 . 1 1 56 56 ALA HA H 1 4.307 0.008 . . . . . A 56 ALA HA . 19628 1 642 . 1 1 56 56 ALA HB1 H 1 1.375 0.008 . . . . . A 56 ALA HB1 . 19628 1 643 . 1 1 56 56 ALA HB2 H 1 1.375 0.008 . . . . . A 56 ALA HB2 . 19628 1 644 . 1 1 56 56 ALA HB3 H 1 1.375 0.008 . . . . . A 56 ALA HB3 . 19628 1 645 . 1 1 56 56 ALA C C 13 178.144 0.18 . . . . . A 56 ALA C . 19628 1 646 . 1 1 56 56 ALA CA C 13 53.189 0.18 . . . . . A 56 ALA CA . 19628 1 647 . 1 1 56 56 ALA CB C 13 19.270 0.18 . . . . . A 56 ALA CB . 19628 1 648 . 1 1 56 56 ALA N N 15 122.962 0.11 . . . . . A 56 ALA N . 19628 1 649 . 1 1 57 57 HIS H H 1 8.378 0.008 . . . . . A 57 HIS H . 19628 1 650 . 1 1 57 57 HIS HA H 1 4.718 0.008 . . . . . A 57 HIS HA . 19628 1 651 . 1 1 57 57 HIS HB2 H 1 3.218 0.008 . . . . . A 57 HIS HB2 . 19628 1 652 . 1 1 57 57 HIS HB3 H 1 3.518 0.008 . . . . . A 57 HIS HB3 . 19628 1 653 . 1 1 57 57 HIS HD2 H 1 7.318 0.008 . . . . . A 57 HIS HD2 . 19628 1 654 . 1 1 57 57 HIS C C 13 174.283 0.18 . . . . . A 57 HIS C . 19628 1 655 . 1 1 57 57 HIS CA C 13 55.538 0.18 . . . . . A 57 HIS CA . 19628 1 656 . 1 1 57 57 HIS CB C 13 29.348 0.18 . . . . . A 57 HIS CB . 19628 1 657 . 1 1 57 57 HIS CD2 C 13 119.265 0.18 . . . . . A 57 HIS CD2 . 19628 1 658 . 1 1 57 57 HIS N N 15 114.258 0.11 . . . . . A 57 HIS N . 19628 1 659 . 1 1 58 58 ALA H H 1 7.797 0.008 . . . . . A 58 ALA H . 19628 1 660 . 1 1 58 58 ALA HA H 1 4.301 0.008 . . . . . A 58 ALA HA . 19628 1 661 . 1 1 58 58 ALA HB1 H 1 1.191 0.008 . . . . . A 58 ALA HB1 . 19628 1 662 . 1 1 58 58 ALA HB2 H 1 1.191 0.008 . . . . . A 58 ALA HB2 . 19628 1 663 . 1 1 58 58 ALA HB3 H 1 1.191 0.008 . . . . . A 58 ALA HB3 . 19628 1 664 . 1 1 58 58 ALA C C 13 176.549 0.18 . . . . . A 58 ALA C . 19628 1 665 . 1 1 58 58 ALA CA C 13 52.249 0.18 . . . . . A 58 ALA CA . 19628 1 666 . 1 1 58 58 ALA CB C 13 19.898 0.18 . . . . . A 58 ALA CB . 19628 1 667 . 1 1 58 58 ALA N N 15 122.364 0.11 . . . . . A 58 ALA N . 19628 1 668 . 1 1 59 59 ARG H H 1 8.067 0.008 . . . . . A 59 ARG H . 19628 1 669 . 1 1 59 59 ARG HA H 1 4.577 0.008 . . . . . A 59 ARG HA . 19628 1 670 . 1 1 59 59 ARG HB2 H 1 1.724 0.008 . . . . . A 59 ARG HB2 . 19628 1 671 . 1 1 59 59 ARG HB3 H 1 1.724 0.008 . . . . . A 59 ARG QB . 19628 1 672 . 1 1 59 59 ARG HG2 H 1 1.545 0.008 . . . . . A 59 ARG HG2 . 19628 1 673 . 1 1 59 59 ARG HG3 H 1 1.545 0.008 . . . . . A 59 ARG QG . 19628 1 674 . 1 1 59 59 ARG HD2 H 1 3.376 0.008 . . . . . A 59 ARG HD2 . 19628 1 675 . 1 1 59 59 ARG HD3 H 1 3.326 0.008 . . . . . A 59 ARG HD3 . 19628 1 676 . 1 1 59 59 ARG C C 13 174.047 0.18 . . . . . A 59 ARG C . 19628 1 677 . 1 1 59 59 ARG CA C 13 53.959 0.18 . . . . . A 59 ARG CA . 19628 1 678 . 1 1 59 59 ARG CB C 13 34.241 0.18 . . . . . A 59 ARG CB . 19628 1 679 . 1 1 59 59 ARG CG C 13 27.076 0.18 . . . . . A 59 ARG CG . 19628 1 680 . 1 1 59 59 ARG CD C 13 42.982 0.18 . . . . . A 59 ARG CD . 19628 1 681 . 1 1 59 59 ARG N N 15 120.664 0.11 . . . . . A 59 ARG N . 19628 1 682 . 1 1 60 60 TYR H H 1 8.608 0.008 . . . . . A 60 TYR H . 19628 1 683 . 1 1 60 60 TYR HA H 1 5.403 0.008 . . . . . A 60 TYR HA . 19628 1 684 . 1 1 60 60 TYR HB2 H 1 2.719 0.008 . . . . . A 60 TYR HB2 . 19628 1 685 . 1 1 60 60 TYR HB3 H 1 2.594 0.008 . . . . . A 60 TYR HB3 . 19628 1 686 . 1 1 60 60 TYR HD1 H 1 6.717 0.008 . . . . . A 60 TYR HD1 . 19628 1 687 . 1 1 60 60 TYR HD2 H 1 6.717 0.008 . . . . . A 60 TYR HD2 . 19628 1 688 . 1 1 60 60 TYR HE1 H 1 6.459 0.008 . . . . . A 60 TYR HE1 . 19628 1 689 . 1 1 60 60 TYR HE2 H 1 6.459 0.008 . . . . . A 60 TYR HE2 . 19628 1 690 . 1 1 60 60 TYR C C 13 176.206 0.18 . . . . . A 60 TYR C . 19628 1 691 . 1 1 60 60 TYR CA C 13 57.256 0.18 . . . . . A 60 TYR CA . 19628 1 692 . 1 1 60 60 TYR CB C 13 42.214 0.18 . . . . . A 60 TYR CB . 19628 1 693 . 1 1 60 60 TYR CD1 C 13 131.539 0.18 . . . . . A 60 TYR CD1 . 19628 1 694 . 1 1 60 60 TYR CD2 C 13 131.539 0.18 . . . . . A 60 TYR CD2 . 19628 1 695 . 1 1 60 60 TYR CE1 C 13 116.722 0.18 . . . . . A 60 TYR CE1 . 19628 1 696 . 1 1 60 60 TYR CE2 C 13 116.681 0.18 . . . . . A 60 TYR CE2 . 19628 1 697 . 1 1 60 60 TYR N N 15 117.222 0.11 . . . . . A 60 TYR N . 19628 1 698 . 1 1 61 61 PHE H H 1 9.689 0.008 . . . . . A 61 PHE H . 19628 1 699 . 1 1 61 61 PHE HA H 1 5.294 0.008 . . . . . A 61 PHE HA . 19628 1 700 . 1 1 61 61 PHE HB2 H 1 2.552 0.008 . . . . . A 61 PHE HB2 . 19628 1 701 . 1 1 61 61 PHE HB3 H 1 3.235 0.008 . . . . . A 61 PHE HB3 . 19628 1 702 . 1 1 61 61 PHE HD1 H 1 7.110 0.008 . . . . . A 61 PHE HD1 . 19628 1 703 . 1 1 61 61 PHE HD2 H 1 7.110 0.008 . . . . . A 61 PHE HD2 . 19628 1 704 . 1 1 61 61 PHE C C 13 174.358 0.18 . . . . . A 61 PHE C . 19628 1 705 . 1 1 61 61 PHE CA C 13 57.123 0.18 . . . . . A 61 PHE CA . 19628 1 706 . 1 1 61 61 PHE CB C 13 45.819 0.18 . . . . . A 61 PHE CB . 19628 1 707 . 1 1 61 61 PHE CD1 C 13 131.092 0.18 . . . . . A 61 PHE CD1 . 19628 1 708 . 1 1 61 61 PHE CD2 C 13 131.132 0.18 . . . . . A 61 PHE CD2 . 19628 1 709 . 1 1 61 61 PHE N N 15 117.727 0.11 . . . . . A 61 PHE N . 19628 1 710 . 1 1 62 62 ILE H H 1 9.106 0.008 . . . . . A 62 ILE H . 19628 1 711 . 1 1 62 62 ILE HA H 1 5.114 0.008 . . . . . A 62 ILE HA . 19628 1 712 . 1 1 62 62 ILE HB H 1 1.802 0.008 . . . . . A 62 ILE HB . 19628 1 713 . 1 1 62 62 ILE HG12 H 1 1.572 0.008 . . . . . A 62 ILE HG12 . 19628 1 714 . 1 1 62 62 ILE HG13 H 1 0.911 0.008 . . . . . A 62 ILE HG13 . 19628 1 715 . 1 1 62 62 ILE HG21 H 1 1.097 0.008 . . . . . A 62 ILE HG21 . 19628 1 716 . 1 1 62 62 ILE HG22 H 1 1.097 0.008 . . . . . A 62 ILE HG22 . 19628 1 717 . 1 1 62 62 ILE HG23 H 1 1.097 0.008 . . . . . A 62 ILE HG23 . 19628 1 718 . 1 1 62 62 ILE HD11 H 1 0.418 0.008 . . . . . A 62 ILE HD11 . 19628 1 719 . 1 1 62 62 ILE HD12 H 1 0.418 0.008 . . . . . A 62 ILE HD12 . 19628 1 720 . 1 1 62 62 ILE HD13 H 1 0.418 0.008 . . . . . A 62 ILE HD13 . 19628 1 721 . 1 1 62 62 ILE C C 13 174.937 0.18 . . . . . A 62 ILE C . 19628 1 722 . 1 1 62 62 ILE CA C 13 60.625 0.18 . . . . . A 62 ILE CA . 19628 1 723 . 1 1 62 62 ILE CB C 13 41.174 0.18 . . . . . A 62 ILE CB . 19628 1 724 . 1 1 62 62 ILE CG1 C 13 28.373 0.18 . . . . . A 62 ILE CG1 . 19628 1 725 . 1 1 62 62 ILE CG2 C 13 19.170 0.18 . . . . . A 62 ILE CG2 . 19628 1 726 . 1 1 62 62 ILE CD1 C 13 13.787 0.18 . . . . . A 62 ILE CD1 . 19628 1 727 . 1 1 62 62 ILE N N 15 118.711 0.11 . . . . . A 62 ILE N . 19628 1 728 . 1 1 63 63 ILE H H 1 9.635 0.008 . . . . . A 63 ILE H . 19628 1 729 . 1 1 63 63 ILE HA H 1 4.732 0.008 . . . . . A 63 ILE HA . 19628 1 730 . 1 1 63 63 ILE HB H 1 1.858 0.008 . . . . . A 63 ILE HB . 19628 1 731 . 1 1 63 63 ILE HG12 H 1 1.739 0.008 . . . . . A 63 ILE HG12 . 19628 1 732 . 1 1 63 63 ILE HG13 H 1 1.129 0.008 . . . . . A 63 ILE HG13 . 19628 1 733 . 1 1 63 63 ILE HD11 H 1 0.892 0.008 . . . . . A 63 ILE HD11 . 19628 1 734 . 1 1 63 63 ILE HD12 H 1 0.892 0.008 . . . . . A 63 ILE HD12 . 19628 1 735 . 1 1 63 63 ILE HD13 H 1 0.892 0.008 . . . . . A 63 ILE HD13 . 19628 1 736 . 1 1 63 63 ILE C C 13 176.218 0.18 . . . . . A 63 ILE C . 19628 1 737 . 1 1 63 63 ILE CA C 13 59.821 0.18 . . . . . A 63 ILE CA . 19628 1 738 . 1 1 63 63 ILE CB C 13 42.541 0.18 . . . . . A 63 ILE CB . 19628 1 739 . 1 1 63 63 ILE CG1 C 13 28.070 0.18 . . . . . A 63 ILE CG1 . 19628 1 740 . 1 1 63 63 ILE CD1 C 13 16.939 0.18 . . . . . A 63 ILE CD1 . 19628 1 741 . 1 1 63 63 ILE N N 15 125.236 0.11 . . . . . A 63 ILE N . 19628 1 742 . 1 1 64 64 HIS H H 1 9.442 0.008 . . . . . A 64 HIS H . 19628 1 743 . 1 1 64 64 HIS HA H 1 4.553 0.008 . . . . . A 64 HIS HA . 19628 1 744 . 1 1 64 64 HIS HB2 H 1 2.853 0.008 . . . . . A 64 HIS HB2 . 19628 1 745 . 1 1 64 64 HIS HB3 H 1 3.166 0.008 . . . . . A 64 HIS HB3 . 19628 1 746 . 1 1 64 64 HIS HD2 H 1 6.647 0.008 . . . . . A 64 HIS HD2 . 19628 1 747 . 1 1 64 64 HIS C C 13 174.365 0.18 . . . . . A 64 HIS C . 19628 1 748 . 1 1 64 64 HIS CA C 13 53.539 0.18 . . . . . A 64 HIS CA . 19628 1 749 . 1 1 64 64 HIS CB C 13 30.765 0.18 . . . . . A 64 HIS CB . 19628 1 750 . 1 1 64 64 HIS CD2 C 13 125.085 0.18 . . . . . A 64 HIS CD2 . 19628 1 751 . 1 1 64 64 HIS N N 15 127.707 0.11 . . . . . A 64 HIS N . 19628 1 752 . 1 1 65 65 ALA H H 1 8.429 0.008 . . . . . A 65 ALA H . 19628 1 753 . 1 1 65 65 ALA HA H 1 4.555 0.008 . . . . . A 65 ALA HA . 19628 1 754 . 1 1 65 65 ALA HB1 H 1 1.229 0.008 . . . . . A 65 ALA HB1 . 19628 1 755 . 1 1 65 65 ALA HB2 H 1 1.229 0.008 . . . . . A 65 ALA HB2 . 19628 1 756 . 1 1 65 65 ALA HB3 H 1 1.229 0.008 . . . . . A 65 ALA HB3 . 19628 1 757 . 1 1 65 65 ALA C C 13 174.433 0.18 . . . . . A 65 ALA C . 19628 1 758 . 1 1 65 65 ALA CA C 13 50.374 0.18 . . . . . A 65 ALA CA . 19628 1 759 . 1 1 65 65 ALA CB C 13 18.767 0.18 . . . . . A 65 ALA CB . 19628 1 760 . 1 1 65 65 ALA N N 15 131.873 0.11 . . . . . A 65 ALA N . 19628 1 761 . 1 1 66 66 HIS H H 1 7.949 0.008 . . . . . A 66 HIS H . 19628 1 762 . 1 1 66 66 HIS HA H 1 4.171 0.008 . . . . . A 66 HIS HA . 19628 1 763 . 1 1 66 66 HIS HB2 H 1 2.719 0.008 . . . . . A 66 HIS HB2 . 19628 1 764 . 1 1 66 66 HIS HB3 H 1 2.998 0.008 . . . . . A 66 HIS HB3 . 19628 1 765 . 1 1 66 66 HIS HD2 H 1 6.941 0.008 . . . . . A 66 HIS HD2 . 19628 1 766 . 1 1 66 66 HIS HE1 H 1 7.937 0.008 . . . . . A 66 HIS HE1 . 19628 1 767 . 1 1 66 66 HIS C C 13 175.249 0.18 . . . . . A 66 HIS C . 19628 1 768 . 1 1 66 66 HIS CA C 13 57.499 0.18 . . . . . A 66 HIS CA . 19628 1 769 . 1 1 66 66 HIS CB C 13 30.570 0.18 . . . . . A 66 HIS CB . 19628 1 770 . 1 1 66 66 HIS CD2 C 13 118.944 0.18 . . . . . A 66 HIS CD2 . 19628 1 771 . 1 1 66 66 HIS CE1 C 13 106.664 0.18 . . . . . A 66 HIS CE1 . 19628 1 772 . 1 1 66 66 HIS N N 15 120.753 0.11 . . . . . A 66 HIS N . 19628 1 773 . 1 1 67 67 LYS H H 1 7.537 0.008 . . . . . A 67 LYS H . 19628 1 774 . 1 1 67 67 LYS HA H 1 4.427 0.008 . . . . . A 67 LYS HA . 19628 1 775 . 1 1 67 67 LYS HB2 H 1 1.659 0.008 . . . . . A 67 LYS HB2 . 19628 1 776 . 1 1 67 67 LYS HB3 H 1 1.600 0.008 . . . . . A 67 LYS HB3 . 19628 1 777 . 1 1 67 67 LYS HG2 H 1 1.236 0.008 . . . . . A 67 LYS HG2 . 19628 1 778 . 1 1 67 67 LYS HD2 H 1 1.696 0.008 . . . . . A 67 LYS HD2 . 19628 1 779 . 1 1 67 67 LYS HD3 H 1 1.696 0.008 . . . . . A 67 LYS QD . 19628 1 780 . 1 1 67 67 LYS HE2 H 1 2.982 0.008 . . . . . A 67 LYS HE2 . 19628 1 781 . 1 1 67 67 LYS HE3 H 1 2.982 0.008 . . . . . A 67 LYS QE . 19628 1 782 . 1 1 67 67 LYS C C 13 174.799 0.18 . . . . . A 67 LYS C . 19628 1 783 . 1 1 67 67 LYS CA C 13 55.068 0.18 . . . . . A 67 LYS CA . 19628 1 784 . 1 1 67 67 LYS CB C 13 34.784 0.18 . . . . . A 67 LYS CB . 19628 1 785 . 1 1 67 67 LYS CG C 13 24.844 0.18 . . . . . A 67 LYS CG . 19628 1 786 . 1 1 67 67 LYS CD C 13 29.293 0.18 . . . . . A 67 LYS CD . 19628 1 787 . 1 1 67 67 LYS CE C 13 42.212 0.18 . . . . . A 67 LYS CE . 19628 1 788 . 1 1 67 67 LYS N N 15 117.601 0.11 . . . . . A 67 LYS N . 19628 1 789 . 1 1 68 68 LEU H H 1 8.549 0.008 . . . . . A 68 LEU H . 19628 1 790 . 1 1 68 68 LEU HA H 1 4.447 0.008 . . . . . A 68 LEU HA . 19628 1 791 . 1 1 68 68 LEU HB2 H 1 1.366 0.008 . . . . . A 68 LEU HB2 . 19628 1 792 . 1 1 68 68 LEU HB3 H 1 1.009 0.008 . . . . . A 68 LEU HB3 . 19628 1 793 . 1 1 68 68 LEU HG H 1 1.383 0.008 . . . . . A 68 LEU HG . 19628 1 794 . 1 1 68 68 LEU HD11 H 1 0.441 0.008 . . . . . A 68 LEU HD11 . 19628 1 795 . 1 1 68 68 LEU HD12 H 1 0.441 0.008 . . . . . A 68 LEU HD12 . 19628 1 796 . 1 1 68 68 LEU HD13 H 1 0.441 0.008 . . . . . A 68 LEU HD13 . 19628 1 797 . 1 1 68 68 LEU HD21 H 1 0.544 0.008 . . . . . A 68 LEU HD21 . 19628 1 798 . 1 1 68 68 LEU HD22 H 1 0.544 0.008 . . . . . A 68 LEU HD22 . 19628 1 799 . 1 1 68 68 LEU HD23 H 1 0.544 0.008 . . . . . A 68 LEU HD23 . 19628 1 800 . 1 1 68 68 LEU C C 13 175.878 0.18 . . . . . A 68 LEU C . 19628 1 801 . 1 1 68 68 LEU CA C 13 54.463 0.18 . . . . . A 68 LEU CA . 19628 1 802 . 1 1 68 68 LEU CB C 13 41.572 0.18 . . . . . A 68 LEU CB . 19628 1 803 . 1 1 68 68 LEU CG C 13 27.670 0.18 . . . . . A 68 LEU CG . 19628 1 804 . 1 1 68 68 LEU CD1 C 13 25.148 0.18 . . . . . A 68 LEU CD1 . 19628 1 805 . 1 1 68 68 LEU CD2 C 13 24.250 0.18 . . . . . A 68 LEU CD2 . 19628 1 806 . 1 1 68 68 LEU N N 15 127.238 0.11 . . . . . A 68 LEU N . 19628 1 807 . 1 1 69 69 LEU H H 1 9.061 0.008 . . . . . A 69 LEU H . 19628 1 808 . 1 1 69 69 LEU HA H 1 4.515 0.008 . . . . . A 69 LEU HA . 19628 1 809 . 1 1 69 69 LEU HB2 H 1 2.083 0.008 . . . . . A 69 LEU HB2 . 19628 1 810 . 1 1 69 69 LEU HB3 H 1 1.641 0.008 . . . . . A 69 LEU HB3 . 19628 1 811 . 1 1 69 69 LEU HG H 1 1.804 0.008 . . . . . A 69 LEU HG . 19628 1 812 . 1 1 69 69 LEU HD11 H 1 1.053 0.008 . . . . . A 69 LEU HD11 . 19628 1 813 . 1 1 69 69 LEU HD12 H 1 1.053 0.008 . . . . . A 69 LEU HD12 . 19628 1 814 . 1 1 69 69 LEU HD13 H 1 1.053 0.008 . . . . . A 69 LEU HD13 . 19628 1 815 . 1 1 69 69 LEU HD21 H 1 0.927 0.008 . . . . . A 69 LEU HD21 . 19628 1 816 . 1 1 69 69 LEU HD22 H 1 0.927 0.008 . . . . . A 69 LEU HD22 . 19628 1 817 . 1 1 69 69 LEU HD23 H 1 0.927 0.008 . . . . . A 69 LEU HD23 . 19628 1 818 . 1 1 69 69 LEU C C 13 176.630 0.18 . . . . . A 69 LEU C . 19628 1 819 . 1 1 69 69 LEU CA C 13 55.204 0.18 . . . . . A 69 LEU CA . 19628 1 820 . 1 1 69 69 LEU CB C 13 42.232 0.18 . . . . . A 69 LEU CB . 19628 1 821 . 1 1 69 69 LEU CG C 13 27.142 0.18 . . . . . A 69 LEU CG . 19628 1 822 . 1 1 69 69 LEU CD1 C 13 25.348 0.18 . . . . . A 69 LEU CD1 . 19628 1 823 . 1 1 69 69 LEU CD2 C 13 23.542 0.18 . . . . . A 69 LEU CD2 . 19628 1 824 . 1 1 69 69 LEU N N 15 123.968 0.11 . . . . . A 69 LEU N . 19628 1 825 . 1 1 70 70 ASP H H 1 8.889 0.008 . . . . . A 70 ASP H . 19628 1 826 . 1 1 70 70 ASP HA H 1 5.237 0.008 . . . . . A 70 ASP HA . 19628 1 827 . 1 1 70 70 ASP HB2 H 1 2.717 0.008 . . . . . A 70 ASP HB2 . 19628 1 828 . 1 1 70 70 ASP HB3 H 1 3.267 0.008 . . . . . A 70 ASP HB3 . 19628 1 829 . 1 1 70 70 ASP CA C 13 49.989 0.18 . . . . . A 70 ASP CA . 19628 1 830 . 1 1 70 70 ASP CB C 13 42.502 0.18 . . . . . A 70 ASP CB . 19628 1 831 . 1 1 70 70 ASP N N 15 122.630 0.11 . . . . . A 70 ASP N . 19628 1 832 . 1 1 71 71 PRO HA H 1 4.307 0.008 . . . . . A 71 PRO HA . 19628 1 833 . 1 1 71 71 PRO HB2 H 1 1.832 0.008 . . . . . A 71 PRO HB2 . 19628 1 834 . 1 1 71 71 PRO HB3 H 1 0.483 0.008 . . . . . A 71 PRO HB3 . 19628 1 835 . 1 1 71 71 PRO HG2 H 1 0.109 0.008 . . . . . A 71 PRO HG2 . 19628 1 836 . 1 1 71 71 PRO HG3 H 1 1.105 0.008 . . . . . A 71 PRO HG3 . 19628 1 837 . 1 1 71 71 PRO HD2 H 1 3.791 0.008 . . . . . A 71 PRO HD2 . 19628 1 838 . 1 1 71 71 PRO HD3 H 1 2.615 0.008 . . . . . A 71 PRO HD3 . 19628 1 839 . 1 1 71 71 PRO C C 13 177.095 0.18 . . . . . A 71 PRO C . 19628 1 840 . 1 1 71 71 PRO CA C 13 62.552 0.18 . . . . . A 71 PRO CA . 19628 1 841 . 1 1 71 71 PRO CB C 13 30.961 0.18 . . . . . A 71 PRO CB . 19628 1 842 . 1 1 71 71 PRO CG C 13 26.927 0.18 . . . . . A 71 PRO CG . 19628 1 843 . 1 1 71 71 PRO CD C 13 50.094 0.18 . . . . . A 71 PRO CD . 19628 1 844 . 1 1 72 72 SER H H 1 8.215 0.008 . . . . . A 72 SER H . 19628 1 845 . 1 1 72 72 SER HA H 1 4.455 0.008 . . . . . A 72 SER HA . 19628 1 846 . 1 1 72 72 SER HB2 H 1 4.156 0.008 . . . . . A 72 SER HB2 . 19628 1 847 . 1 1 72 72 SER HB3 H 1 4.116 0.008 . . . . . A 72 SER HB3 . 19628 1 848 . 1 1 72 72 SER C C 13 175.162 0.18 . . . . . A 72 SER C . 19628 1 849 . 1 1 72 72 SER CA C 13 60.232 0.18 . . . . . A 72 SER CA . 19628 1 850 . 1 1 72 72 SER CB C 13 63.899 0.18 . . . . . A 72 SER CB . 19628 1 851 . 1 1 72 72 SER N N 15 114.226 0.11 . . . . . A 72 SER N . 19628 1 852 . 1 1 73 73 GLU H H 1 7.976 0.008 . . . . . A 73 GLU H . 19628 1 853 . 1 1 73 73 GLU HA H 1 4.408 0.008 . . . . . A 73 GLU HA . 19628 1 854 . 1 1 73 73 GLU HB2 H 1 2.202 0.008 . . . . . A 73 GLU HB2 . 19628 1 855 . 1 1 73 73 GLU HB3 H 1 2.064 0.008 . . . . . A 73 GLU HB3 . 19628 1 856 . 1 1 73 73 GLU HG2 H 1 2.397 0.008 . . . . . A 73 GLU HG2 . 19628 1 857 . 1 1 73 73 GLU HG3 H 1 2.338 0.008 . . . . . A 73 GLU HG3 . 19628 1 858 . 1 1 73 73 GLU C C 13 176.312 0.18 . . . . . A 73 GLU C . 19628 1 859 . 1 1 73 73 GLU CA C 13 56.613 0.18 . . . . . A 73 GLU CA . 19628 1 860 . 1 1 73 73 GLU CB C 13 30.879 0.18 . . . . . A 73 GLU CB . 19628 1 861 . 1 1 73 73 GLU CG C 13 36.433 0.18 . . . . . A 73 GLU CG . 19628 1 862 . 1 1 73 73 GLU N N 15 121.971 0.11 . . . . . A 73 GLU N . 19628 1 863 . 1 1 74 74 GLY H H 1 7.855 0.008 . . . . . A 74 GLY H . 19628 1 864 . 1 1 74 74 GLY HA2 H 1 3.843 0.008 . . . . . A 74 GLY HA2 . 19628 1 865 . 1 1 74 74 GLY HA3 H 1 3.784 0.008 . . . . . A 74 GLY HA3 . 19628 1 866 . 1 1 74 74 GLY CA C 13 46.373 0.18 . . . . . A 74 GLY CA . 19628 1 867 . 1 1 74 74 GLY N N 15 115.064 0.11 . . . . . A 74 GLY N . 19628 1 stop_ save_