data_15206 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15206 _Entry.Title ; Differences in the electrostatic surfaces of the type III secretion needle proteins ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-06 _Entry.Accession_date 2007-04-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Yu Wang . . . 15206 2 Andrew Ouellette . N. . 15206 3 Chet Egan . W. . 15206 4 Roberto 'De Guzman' . N. . 15206 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 . 'not applicable' 'not applicable' . 15206 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'needle protein' . 15206 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15206 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 297 15206 '15N chemical shifts' 71 15206 '1H chemical shifts' 477 15206 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 . . 2010-05-26 2007-04-06 update BMRB 'update entity name' 15206 1 . . 2007-10-24 2007-04-06 original author 'original release' 15206 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JOW 'BMRB Entry Tracking System' 15206 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15206 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17617421 _Citation.Full_citation . _Citation.Title 'Differences in the electrostatic surfaces of the type III secretion needle proteins PrgI, BsaL, and MxiH.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 371 _Citation.Journal_issue 5 _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 1304 _Citation.Page_last 1314 _Citation.Year 2007 _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 Yu Wang . . . 15206 1 2 Andrew Ouellette . N. . 15206 1 3 Chet Egana . W. . 15206 1 4 Thenmalarchelvi Rathinavelana . . . 15206 1 5 Wonpil Ima . . . 15206 1 6 Roberto 'De Guzman' . N. . 15206 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15206 _Assembly.ID 1 _Assembly.Name 'Needle Monomer' _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 'needle monomer' 1 $entity A . yes native no no . . . 15206 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15206 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'needle monomer' _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 ; MATPWSGYLDDVSAKFDTGV DNLQTQVTEALDKLAAKPSD PALLAAYQSKLSEYNLYRNA QSNTVKVFKDIDAAILEHHH HHH ; _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 83 _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 9279.383 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2JOW . "Differences In The Electrostatic Surfaces Of The Type Iii Secretion Needle Proteins" . . . . . 100.00 83 100.00 100.00 1.36e-52 . . . . 15206 1 2 no GB AHS51581 . "type III secretion system needle complex protein PrgI, partial [Salmonella enterica subsp. enterica serovar Enteritidis str. EC" . . . . . 91.57 76 98.68 100.00 3.41e-46 . . . . 15206 1 3 no GB ERF90330 . "type III secretion system needle complex protein PrgI [Salmonella enterica subsp. enterica serovar Heidelberg str. SARA33]" . . . . . 92.77 83 97.40 100.00 1.39e-46 . . . . 15206 1 4 no GB ERG01985 . "type III secretion system needle complex protein PrgI [Salmonella enterica subsp. enterica serovar Muenchen str. RKS4129]" . . . . . 92.77 83 97.40 100.00 1.39e-46 . . . . 15206 1 5 no GB KLT33237 . "type III secretion system needle complex protein PrgI [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 92.77 83 97.40 100.00 1.39e-46 . . . . 15206 1 6 no GB KMJ71568 . "type III secretion system needle complex protein PrgI [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 92.77 83 97.40 100.00 1.39e-46 . . . . 15206 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 . 15206 1 2 . ALA . 15206 1 3 . THR . 15206 1 4 . PRO . 15206 1 5 . TRP . 15206 1 6 . SER . 15206 1 7 . GLY . 15206 1 8 . TYR . 15206 1 9 . LEU . 15206 1 10 . ASP . 15206 1 11 . ASP . 15206 1 12 . VAL . 15206 1 13 . SER . 15206 1 14 . ALA . 15206 1 15 . LYS . 15206 1 16 . PHE . 15206 1 17 . ASP . 15206 1 18 . THR . 15206 1 19 . GLY . 15206 1 20 . VAL . 15206 1 21 . ASP . 15206 1 22 . ASN . 15206 1 23 . LEU . 15206 1 24 . GLN . 15206 1 25 . THR . 15206 1 26 . GLN . 15206 1 27 . VAL . 15206 1 28 . THR . 15206 1 29 . GLU . 15206 1 30 . ALA . 15206 1 31 . LEU . 15206 1 32 . ASP . 15206 1 33 . LYS . 15206 1 34 . LEU . 15206 1 35 . ALA . 15206 1 36 . ALA . 15206 1 37 . LYS . 15206 1 38 . PRO . 15206 1 39 . SER . 15206 1 40 . ASP . 15206 1 41 . PRO . 15206 1 42 . ALA . 15206 1 43 . LEU . 15206 1 44 . LEU . 15206 1 45 . ALA . 15206 1 46 . ALA . 15206 1 47 . TYR . 15206 1 48 . GLN . 15206 1 49 . SER . 15206 1 50 . LYS . 15206 1 51 . LEU . 15206 1 52 . SER . 15206 1 53 . GLU . 15206 1 54 . TYR . 15206 1 55 . ASN . 15206 1 56 . LEU . 15206 1 57 . TYR . 15206 1 58 . ARG . 15206 1 59 . ASN . 15206 1 60 . ALA . 15206 1 61 . GLN . 15206 1 62 . SER . 15206 1 63 . ASN . 15206 1 64 . THR . 15206 1 65 . VAL . 15206 1 66 . LYS . 15206 1 67 . VAL . 15206 1 68 . PHE . 15206 1 69 . LYS . 15206 1 70 . ASP . 15206 1 71 . ILE . 15206 1 72 . ASP . 15206 1 73 . ALA . 15206 1 74 . ALA . 15206 1 75 . ILE . 15206 1 76 . LEU . 15206 1 77 . GLU . 15206 1 78 . HIS . 15206 1 79 . HIS . 15206 1 80 . HIS . 15206 1 81 . HIS . 15206 1 82 . HIS . 15206 1 83 . HIS . 15206 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 15206 1 . ALA 2 2 15206 1 . THR 3 3 15206 1 . PRO 4 4 15206 1 . TRP 5 5 15206 1 . SER 6 6 15206 1 . GLY 7 7 15206 1 . TYR 8 8 15206 1 . LEU 9 9 15206 1 . ASP 10 10 15206 1 . ASP 11 11 15206 1 . VAL 12 12 15206 1 . SER 13 13 15206 1 . ALA 14 14 15206 1 . LYS 15 15 15206 1 . PHE 16 16 15206 1 . ASP 17 17 15206 1 . THR 18 18 15206 1 . GLY 19 19 15206 1 . VAL 20 20 15206 1 . ASP 21 21 15206 1 . ASN 22 22 15206 1 . LEU 23 23 15206 1 . GLN 24 24 15206 1 . THR 25 25 15206 1 . GLN 26 26 15206 1 . VAL 27 27 15206 1 . THR 28 28 15206 1 . GLU 29 29 15206 1 . ALA 30 30 15206 1 . LEU 31 31 15206 1 . ASP 32 32 15206 1 . LYS 33 33 15206 1 . LEU 34 34 15206 1 . ALA 35 35 15206 1 . ALA 36 36 15206 1 . LYS 37 37 15206 1 . PRO 38 38 15206 1 . SER 39 39 15206 1 . ASP 40 40 15206 1 . PRO 41 41 15206 1 . ALA 42 42 15206 1 . LEU 43 43 15206 1 . LEU 44 44 15206 1 . ALA 45 45 15206 1 . ALA 46 46 15206 1 . TYR 47 47 15206 1 . GLN 48 48 15206 1 . SER 49 49 15206 1 . LYS 50 50 15206 1 . LEU 51 51 15206 1 . SER 52 52 15206 1 . GLU 53 53 15206 1 . TYR 54 54 15206 1 . ASN 55 55 15206 1 . LEU 56 56 15206 1 . TYR 57 57 15206 1 . ARG 58 58 15206 1 . ASN 59 59 15206 1 . ALA 60 60 15206 1 . GLN 61 61 15206 1 . SER 62 62 15206 1 . ASN 63 63 15206 1 . THR 64 64 15206 1 . VAL 65 65 15206 1 . LYS 66 66 15206 1 . VAL 67 67 15206 1 . PHE 68 68 15206 1 . LYS 69 69 15206 1 . ASP 70 70 15206 1 . ILE 71 71 15206 1 . ASP 72 72 15206 1 . ALA 73 73 15206 1 . ALA 74 74 15206 1 . ILE 75 75 15206 1 . LEU 76 76 15206 1 . GLU 77 77 15206 1 . HIS 78 78 15206 1 . HIS 79 79 15206 1 . HIS 80 80 15206 1 . HIS 81 81 15206 1 . HIS 82 82 15206 1 . HIS 83 83 15206 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 15206 _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 . 602 organism . 'Salmonella typhimurium' 'Salmonella typhimurium' . . Bacteria . Salmonella typhimurium . . . . . . . . . . . . . . . . . . . . . 15206 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 15206 _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 . . . . . . . . . . . . . . . . pET22b . . . . . . 15206 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15206 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . 0.8 . . mM . . . . 15206 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 15206 _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' 70 . mM 15206 1 pH 6.0 . pH 15206 1 pressure 1 . atm 15206 1 temperature 298 . K 15206 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15206 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . 15206 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15206 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15206 _Software.ID 2 _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' . . 15206 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15206 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15206 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15206 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15206 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15206 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15206 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15206 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 15206 _NMR_spectrometer.ID 1 _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 15206 _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 . 800 . . . 15206 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 15206 _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 . . . . . . . . . . . . . . . . 15206 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15206 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15206 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15206 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15206 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15206 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15206 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15206 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 15206 _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 protons . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 15206 1 H 1 DSS protons . . . . ppm 0 external indirect 1 . . . . . . . . . 15206 1 N 15 DSS protons . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 15206 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 15206 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15206 1 2 '3D HNCA' . . . 15206 1 3 '3D HNCO' . . . 15206 1 4 '3D CBCA(CO)NH' . . . 15206 1 5 '3D HNCACB' . . . 15206 1 6 '3D HBHA(CO)NH' . . . 15206 1 7 '3D 1H-15N NOESY' . . . 15206 1 8 '3D 1H-13C NOESY' . . . 15206 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 ALA HA H 1 4.113 . . 1 . . . . 2 ALA HA . 15206 1 2 . 1 1 2 2 ALA HB1 H 1 1.464 . . 1 . . . . 2 ALA QB . 15206 1 3 . 1 1 2 2 ALA HB2 H 1 1.464 . . 1 . . . . 2 ALA QB . 15206 1 4 . 1 1 2 2 ALA HB3 H 1 1.464 . . 1 . . . . 2 ALA QB . 15206 1 5 . 1 1 2 2 ALA CA C 13 51.484 . . 1 . . . . 2 ALA CA . 15206 1 6 . 1 1 2 2 ALA CB C 13 19.395 . . 1 . . . . 2 ALA CB . 15206 1 7 . 1 1 3 3 THR HA H 1 4.545 . . 1 . . . . 3 THR HA . 15206 1 8 . 1 1 3 3 THR HB H 1 3.936 . . 1 . . . . 3 THR HB . 15206 1 9 . 1 1 3 3 THR HG21 H 1 1.174 . . 1 . . . . 3 THR QG2 . 15206 1 10 . 1 1 3 3 THR HG22 H 1 1.174 . . 1 . . . . 3 THR QG2 . 15206 1 11 . 1 1 3 3 THR HG23 H 1 1.174 . . 1 . . . . 3 THR QG2 . 15206 1 12 . 1 1 3 3 THR CA C 13 59.673 . . 1 . . . . 3 THR CA . 15206 1 13 . 1 1 3 3 THR CB C 13 69.530 . . 1 . . . . 3 THR CB . 15206 1 14 . 1 1 3 3 THR CG2 C 13 21.437 . . 1 . . . . 3 THR CG2 . 15206 1 15 . 1 1 4 4 PRO HA H 1 4.342 . . 1 . . . . 4 PRO HA . 15206 1 16 . 1 1 4 4 PRO HB2 H 1 2.177 . . 2 . . . . 4 PRO HB2 . 15206 1 17 . 1 1 4 4 PRO HB3 H 1 1.710 . . 2 . . . . 4 PRO HB3 . 15206 1 18 . 1 1 4 4 PRO HG2 H 1 1.860 . . 1 . . . . 4 PRO QG . 15206 1 19 . 1 1 4 4 PRO HG3 H 1 1.860 . . 1 . . . . 4 PRO QG . 15206 1 20 . 1 1 4 4 PRO HD2 H 1 3.729 . . 2 . . . . 4 PRO HD2 . 15206 1 21 . 1 1 4 4 PRO HD3 H 1 3.484 . . 2 . . . . 4 PRO HD3 . 15206 1 22 . 1 1 4 4 PRO C C 13 176.530 . . 1 . . . . 4 PRO C . 15206 1 23 . 1 1 4 4 PRO CA C 13 63.437 . . 1 . . . . 4 PRO CA . 15206 1 24 . 1 1 4 4 PRO CB C 13 31.933 . . 1 . . . . 4 PRO CB . 15206 1 25 . 1 1 4 4 PRO CG C 13 27.271 . . 1 . . . . 4 PRO CG . 15206 1 26 . 1 1 4 4 PRO CD C 13 50.955 . . 1 . . . . 4 PRO CD . 15206 1 27 . 1 1 5 5 TRP H H 1 8.045 . . 1 . . . . 5 TRP HN . 15206 1 28 . 1 1 5 5 TRP HA H 1 4.637 . . 1 . . . . 5 TRP HA . 15206 1 29 . 1 1 5 5 TRP HB2 H 1 3.243 . . 1 . . . . 5 TRP QB . 15206 1 30 . 1 1 5 5 TRP HB3 H 1 3.243 . . 1 . . . . 5 TRP QB . 15206 1 31 . 1 1 5 5 TRP HE1 H 1 10.161 . . 1 . . . . 5 TRP HE1 . 15206 1 32 . 1 1 5 5 TRP C C 13 176.296 . . 1 . . . . 5 TRP C . 15206 1 33 . 1 1 5 5 TRP CA C 13 57.425 . . 1 . . . . 5 TRP CA . 15206 1 34 . 1 1 5 5 TRP CB C 13 29.306 . . 1 . . . . 5 TRP CB . 15206 1 35 . 1 1 5 5 TRP N N 15 120.439 . . 1 . . . . 5 TRP N . 15206 1 36 . 1 1 5 5 TRP NE1 N 15 129.886 . . 1 . . . . 5 TRP NE1 . 15206 1 37 . 1 1 6 6 SER H H 1 8.026 . . 1 . . . . 6 SER HN . 15206 1 38 . 1 1 6 6 SER HA H 1 4.220 . . 1 . . . . 6 SER HA . 15206 1 39 . 1 1 6 6 SER HB2 H 1 3.732 . . 2 . . . . 6 SER HB2 . 15206 1 40 . 1 1 6 6 SER HB3 H 1 3.654 . . 2 . . . . 6 SER HB3 . 15206 1 41 . 1 1 6 6 SER C C 13 174.474 . . 1 . . . . 6 SER C . 15206 1 42 . 1 1 6 6 SER CA C 13 58.576 . . 1 . . . . 6 SER CA . 15206 1 43 . 1 1 6 6 SER CB C 13 63.844 . . 1 . . . . 6 SER CB . 15206 1 44 . 1 1 6 6 SER N N 15 118.616 . . 1 . . . . 6 SER N . 15206 1 45 . 1 1 7 7 GLY H H 1 7.309 . . 1 . . . . 7 GLY HN . 15206 1 46 . 1 1 7 7 GLY HA2 H 1 3.651 . . 2 . . . . 7 GLY HA2 . 15206 1 47 . 1 1 7 7 GLY HA3 H 1 3.513 . . 2 . . . . 7 GLY HA3 . 15206 1 48 . 1 1 7 7 GLY C C 13 173.516 . . 1 . . . . 7 GLY C . 15206 1 49 . 1 1 7 7 GLY CA C 13 45.133 . . 1 . . . . 7 GLY CA . 15206 1 50 . 1 1 7 7 GLY N N 15 109.694 . . 1 . . . . 7 GLY N . 15206 1 51 . 1 1 8 8 TYR H H 1 7.804 . . 1 . . . . 8 TYR HN . 15206 1 52 . 1 1 8 8 TYR HA H 1 4.456 . . 1 . . . . 8 TYR HA . 15206 1 53 . 1 1 8 8 TYR HB2 H 1 2.963 . . 2 . . . . 8 TYR HB2 . 15206 1 54 . 1 1 8 8 TYR HB3 H 1 2.856 . . 2 . . . . 8 TYR HB3 . 15206 1 55 . 1 1 8 8 TYR C C 13 175.651 . . 1 . . . . 8 TYR C . 15206 1 56 . 1 1 8 8 TYR CA C 13 58.093 . . 1 . . . . 8 TYR CA . 15206 1 57 . 1 1 8 8 TYR CB C 13 38.799 . . 1 . . . . 8 TYR CB . 15206 1 58 . 1 1 8 8 TYR N N 15 119.638 . . 1 . . . . 8 TYR N . 15206 1 59 . 1 1 9 9 LEU H H 1 8.086 . . 1 . . . . 9 LEU HN . 15206 1 60 . 1 1 9 9 LEU HA H 1 4.219 . . 1 . . . . 9 LEU HA . 15206 1 61 . 1 1 9 9 LEU HB2 H 1 1.533 . . 2 . . . . 9 LEU HB2 . 15206 1 62 . 1 1 9 9 LEU HB3 H 1 1.479 . . 2 . . . . 9 LEU HB3 . 15206 1 63 . 1 1 9 9 LEU HG H 1 1.418 . . 1 . . . . 9 LEU HG . 15206 1 64 . 1 1 9 9 LEU HD11 H 1 0.770 . . 2 . . . . 9 LEU QD1 . 15206 1 65 . 1 1 9 9 LEU HD12 H 1 0.770 . . 2 . . . . 9 LEU QD1 . 15206 1 66 . 1 1 9 9 LEU HD13 H 1 0.770 . . 2 . . . . 9 LEU QD1 . 15206 1 67 . 1 1 9 9 LEU HD21 H 1 0.820 . . 2 . . . . 9 LEU QD2 . 15206 1 68 . 1 1 9 9 LEU HD22 H 1 0.820 . . 2 . . . . 9 LEU QD2 . 15206 1 69 . 1 1 9 9 LEU HD23 H 1 0.820 . . 2 . . . . 9 LEU QD2 . 15206 1 70 . 1 1 9 9 LEU C C 13 176.637 . . 1 . . . . 9 LEU C . 15206 1 71 . 1 1 9 9 LEU CA C 13 55.099 . . 1 . . . . 9 LEU CA . 15206 1 72 . 1 1 9 9 LEU CB C 13 42.448 . . 1 . . . . 9 LEU CB . 15206 1 73 . 1 1 9 9 LEU CG C 13 26.688 . . 1 . . . . 9 LEU CG . 15206 1 74 . 1 1 9 9 LEU CD1 C 13 23.479 . . 2 . . . . 9 LEU CD1 . 15206 1 75 . 1 1 9 9 LEU CD2 C 13 24.937 . . 2 . . . . 9 LEU CD2 . 15206 1 76 . 1 1 9 9 LEU N N 15 123.369 . . 1 . . . . 9 LEU N . 15206 1 77 . 1 1 10 10 ASP H H 1 8.060 . . 1 . . . . 10 ASP HN . 15206 1 78 . 1 1 10 10 ASP HA H 1 4.490 . . 1 . . . . 10 ASP HA . 15206 1 79 . 1 1 10 10 ASP HB2 H 1 2.653 . . 2 . . . . 10 ASP HB2 . 15206 1 80 . 1 1 10 10 ASP HB3 H 1 2.585 . . 2 . . . . 10 ASP HB3 . 15206 1 81 . 1 1 10 10 ASP C C 13 175.830 . . 1 . . . . 10 ASP C . 15206 1 82 . 1 1 10 10 ASP CA C 13 54.404 . . 1 . . . . 10 ASP CA . 15206 1 83 . 1 1 10 10 ASP CB C 13 41.193 . . 1 . . . . 10 ASP CB . 15206 1 84 . 1 1 10 10 ASP N N 15 120.437 . . 1 . . . . 10 ASP N . 15206 1 85 . 1 1 11 11 ASP H H 1 8.152 . . 1 . . . . 11 ASP HN . 15206 1 86 . 1 1 11 11 ASP HA H 1 4.554 . . 1 . . . . 11 ASP HA . 15206 1 87 . 1 1 11 11 ASP HB2 H 1 2.696 . . 2 . . . . 11 ASP HB2 . 15206 1 88 . 1 1 11 11 ASP HB3 H 1 2.629 . . 2 . . . . 11 ASP HB3 . 15206 1 89 . 1 1 11 11 ASP C C 13 176.864 . . 1 . . . . 11 ASP C . 15206 1 90 . 1 1 11 11 ASP CA C 13 54.461 . . 1 . . . . 11 ASP CA . 15206 1 91 . 1 1 11 11 ASP CB C 13 41.161 . . 1 . . . . 11 ASP CB . 15206 1 92 . 1 1 11 11 ASP N N 15 120.253 . . 1 . . . . 11 ASP N . 15206 1 93 . 1 1 12 12 VAL H H 1 8.079 . . 1 . . . . 12 VAL HN . 15206 1 94 . 1 1 12 12 VAL HA H 1 4.038 . . 1 . . . . 12 VAL HA . 15206 1 95 . 1 1 12 12 VAL HB H 1 2.153 . . 1 . . . . 12 VAL HB . 15206 1 96 . 1 1 12 12 VAL HG11 H 1 0.894 . . 2 . . . . 12 VAL QG1 . 15206 1 97 . 1 1 12 12 VAL HG12 H 1 0.894 . . 2 . . . . 12 VAL QG1 . 15206 1 98 . 1 1 12 12 VAL HG13 H 1 0.894 . . 2 . . . . 12 VAL QG1 . 15206 1 99 . 1 1 12 12 VAL C C 13 176.789 . . 1 . . . . 12 VAL C . 15206 1 100 . 1 1 12 12 VAL CA C 13 63.107 . . 1 . . . . 12 VAL CA . 15206 1 101 . 1 1 12 12 VAL CB C 13 32.149 . . 1 . . . . 12 VAL CB . 15206 1 102 . 1 1 12 12 VAL CG1 C 13 20.416 . . 2 . . . . 12 VAL CG1 . 15206 1 103 . 1 1 12 12 VAL N N 15 119.947 . . 1 . . . . 12 VAL N . 15206 1 104 . 1 1 13 13 SER H H 1 8.302 . . 1 . . . . 13 SER HN . 15206 1 105 . 1 1 13 13 SER HA H 1 4.287 . . 1 . . . . 13 SER HA . 15206 1 106 . 1 1 13 13 SER HB2 H 1 3.858 . . 1 . . . . 13 SER QB . 15206 1 107 . 1 1 13 13 SER HB3 H 1 3.858 . . 1 . . . . 13 SER QB . 15206 1 108 . 1 1 13 13 SER C C 13 174.648 . . 1 . . . . 13 SER C . 15206 1 109 . 1 1 13 13 SER CA C 13 59.278 . . 1 . . . . 13 SER CA . 15206 1 110 . 1 1 13 13 SER CB C 13 61.477 . . 1 . . . . 13 SER CB . 15206 1 111 . 1 1 13 13 SER N N 15 118.036 . . 1 . . . . 13 SER N . 15206 1 112 . 1 1 14 14 ALA H H 1 8.032 . . 1 . . . . 14 ALA HN . 15206 1 113 . 1 1 14 14 ALA HA H 1 4.223 . . 1 . . . . 14 ALA HA . 15206 1 114 . 1 1 14 14 ALA HB1 H 1 1.321 . . 1 . . . . 14 ALA QB . 15206 1 115 . 1 1 14 14 ALA HB2 H 1 1.321 . . 1 . . . . 14 ALA QB . 15206 1 116 . 1 1 14 14 ALA HB3 H 1 1.321 . . 1 . . . . 14 ALA QB . 15206 1 117 . 1 1 14 14 ALA C C 13 177.556 . . 1 . . . . 14 ALA C . 15206 1 118 . 1 1 14 14 ALA CA C 13 52.751 . . 1 . . . . 14 ALA CA . 15206 1 119 . 1 1 14 14 ALA CB C 13 19.100 . . 1 . . . . 14 ALA CB . 15206 1 120 . 1 1 14 14 ALA N N 15 125.125 . . 1 . . . . 14 ALA N . 15206 1 121 . 1 1 15 15 LYS H H 1 7.930 . . 1 . . . . 15 LYS HN . 15206 1 122 . 1 1 15 15 LYS HA H 1 4.184 . . 1 . . . . 15 LYS HA . 15206 1 123 . 1 1 15 15 LYS HB2 H 1 1.649 . . 1 . . . . 15 LYS QB . 15206 1 124 . 1 1 15 15 LYS HB3 H 1 1.649 . . 1 . . . . 15 LYS QB . 15206 1 125 . 1 1 15 15 LYS HG2 H 1 1.314 . . 2 . . . . 15 LYS HG2 . 15206 1 126 . 1 1 15 15 LYS HG3 H 1 1.250 . . 2 . . . . 15 LYS HG3 . 15206 1 127 . 1 1 15 15 LYS HD2 H 1 1.571 . . 1 . . . . 15 LYS QD . 15206 1 128 . 1 1 15 15 LYS HD3 H 1 1.571 . . 1 . . . . 15 LYS QD . 15206 1 129 . 1 1 15 15 LYS C C 13 176.442 . . 1 . . . . 15 LYS C . 15206 1 130 . 1 1 15 15 LYS CA C 13 56.282 . . 1 . . . . 15 LYS CA . 15206 1 131 . 1 1 15 15 LYS CB C 13 33.012 . . 1 . . . . 15 LYS CB . 15206 1 132 . 1 1 15 15 LYS CG C 13 24.646 . . 1 . . . . 15 LYS CG . 15206 1 133 . 1 1 15 15 LYS CD C 13 28.875 . . 1 . . . . 15 LYS CD . 15206 1 134 . 1 1 15 15 LYS N N 15 119.409 . . 1 . . . . 15 LYS N . 15206 1 135 . 1 1 16 16 PHE H H 1 8.104 . . 1 . . . . 16 PHE HN . 15206 1 136 . 1 1 16 16 PHE HA H 1 4.615 . . 1 . . . . 16 PHE HA . 15206 1 137 . 1 1 16 16 PHE HB2 H 1 3.132 . . 2 . . . . 16 PHE HB2 . 15206 1 138 . 1 1 16 16 PHE HB3 H 1 2.966 . . 2 . . . . 16 PHE HB3 . 15206 1 139 . 1 1 16 16 PHE C C 13 175.401 . . 1 . . . . 16 PHE C . 15206 1 140 . 1 1 16 16 PHE CA C 13 57.662 . . 1 . . . . 16 PHE CA . 15206 1 141 . 1 1 16 16 PHE CB C 13 39.688 . . 1 . . . . 16 PHE CB . 15206 1 142 . 1 1 16 16 PHE N N 15 120.679 . . 1 . . . . 16 PHE N . 15206 1 143 . 1 1 17 17 ASP H H 1 8.303 . . 1 . . . . 17 ASP HN . 15206 1 144 . 1 1 17 17 ASP HA H 1 4.632 . . 1 . . . . 17 ASP HA . 15206 1 145 . 1 1 17 17 ASP HB2 H 1 2.713 . . 2 . . . . 17 ASP HB2 . 15206 1 146 . 1 1 17 17 ASP HB3 H 1 2.623 . . 2 . . . . 17 ASP HB3 . 15206 1 147 . 1 1 17 17 ASP C C 13 176.485 . . 1 . . . . 17 ASP C . 15206 1 148 . 1 1 17 17 ASP CA C 13 54.328 . . 1 . . . . 17 ASP CA . 15206 1 149 . 1 1 17 17 ASP CB C 13 41.396 . . 1 . . . . 17 ASP CB . 15206 1 150 . 1 1 17 17 ASP N N 15 121.968 . . 1 . . . . 17 ASP N . 15206 1 151 . 1 1 18 18 THR H H 1 8.172 . . 1 . . . . 18 THR HN . 15206 1 152 . 1 1 18 18 THR HA H 1 4.240 . . 1 . . . . 18 THR HA . 15206 1 153 . 1 1 18 18 THR HB H 1 4.282 . . 1 . . . . 18 THR HB . 15206 1 154 . 1 1 18 18 THR HG21 H 1 1.212 . . 1 . . . . 18 THR QG2 . 15206 1 155 . 1 1 18 18 THR HG22 H 1 1.212 . . 1 . . . . 18 THR QG2 . 15206 1 156 . 1 1 18 18 THR HG23 H 1 1.212 . . 1 . . . . 18 THR QG2 . 15206 1 157 . 1 1 18 18 THR C C 13 175.533 . . 1 . . . . 18 THR C . 15206 1 158 . 1 1 18 18 THR CA C 13 62.619 . . 1 . . . . 18 THR CA . 15206 1 159 . 1 1 18 18 THR CB C 13 69.531 . . 1 . . . . 18 THR CB . 15206 1 160 . 1 1 18 18 THR CG2 C 13 21.583 . . 1 . . . . 18 THR CG2 . 15206 1 161 . 1 1 18 18 THR N N 15 114.589 . . 1 . . . . 18 THR N . 15206 1 162 . 1 1 19 19 GLY H H 1 8.429 . . 1 . . . . 19 GLY HN . 15206 1 163 . 1 1 19 19 GLY HA2 H 1 3.959 . . 2 . . . . 19 GLY HA2 . 15206 1 164 . 1 1 19 19 GLY HA3 H 1 3.909 . . 2 . . . . 19 GLY HA3 . 15206 1 165 . 1 1 19 19 GLY C C 13 174.883 . . 1 . . . . 19 GLY C . 15206 1 166 . 1 1 19 19 GLY CA C 13 45.788 . . 1 . . . . 19 GLY CA . 15206 1 167 . 1 1 19 19 GLY N N 15 110.979 . . 1 . . . . 19 GLY N . 15206 1 168 . 1 1 20 20 VAL H H 1 7.989 . . 1 . . . . 20 VAL HN . 15206 1 169 . 1 1 20 20 VAL HA H 1 3.872 . . 1 . . . . 20 VAL HA . 15206 1 170 . 1 1 20 20 VAL HB H 1 2.061 . . 1 . . . . 20 VAL HB . 15206 1 171 . 1 1 20 20 VAL HG11 H 1 0.916 . . 1 . . . . 20 VAL QQG . 15206 1 172 . 1 1 20 20 VAL HG12 H 1 0.916 . . 1 . . . . 20 VAL QQG . 15206 1 173 . 1 1 20 20 VAL HG13 H 1 0.916 . . 1 . . . . 20 VAL QQG . 15206 1 174 . 1 1 20 20 VAL HG21 H 1 0.916 . . 1 . . . . 20 VAL QQG . 15206 1 175 . 1 1 20 20 VAL HG22 H 1 0.916 . . 1 . . . . 20 VAL QQG . 15206 1 176 . 1 1 20 20 VAL HG23 H 1 0.916 . . 1 . . . . 20 VAL QQG . 15206 1 177 . 1 1 20 20 VAL C C 13 176.249 . . 1 . . . . 20 VAL C . 15206 1 178 . 1 1 20 20 VAL CA C 13 63.763 . . 1 . . . . 20 VAL CA . 15206 1 179 . 1 1 20 20 VAL CB C 13 32.353 . . 1 . . . . 20 VAL CB . 15206 1 180 . 1 1 20 20 VAL CG1 C 13 21.291 . . 2 . . . . 20 VAL CG1 . 15206 1 181 . 1 1 20 20 VAL N N 15 119.768 . . 1 . . . . 20 VAL N . 15206 1 182 . 1 1 21 21 ASP H H 1 8.252 . . 1 . . . . 21 ASP HN . 15206 1 183 . 1 1 21 21 ASP HA H 1 4.510 . . 1 . . . . 21 ASP HA . 15206 1 184 . 1 1 21 21 ASP HB2 H 1 2.692 . . 2 . . . . 21 ASP HB2 . 15206 1 185 . 1 1 21 21 ASP HB3 H 1 2.623 . . 2 . . . . 21 ASP HB3 . 15206 1 186 . 1 1 21 21 ASP C C 13 177.092 . . 1 . . . . 21 ASP C . 15206 1 187 . 1 1 21 21 ASP CA C 13 55.571 . . 1 . . . . 21 ASP CA . 15206 1 188 . 1 1 21 21 ASP CB C 13 41.055 . . 1 . . . . 21 ASP CB . 15206 1 189 . 1 1 21 21 ASP N N 15 122.290 . . 1 . . . . 21 ASP N . 15206 1 190 . 1 1 22 22 ASN H H 1 8.256 . . 1 . . . . 22 ASN HN . 15206 1 191 . 1 1 22 22 ASN HA H 1 4.544 . . 1 . . . . 22 ASN HA . 15206 1 192 . 1 1 22 22 ASN HB2 H 1 2.815 . . 2 . . . . 22 ASN HB2 . 15206 1 193 . 1 1 22 22 ASN HB3 H 1 2.771 . . 2 . . . . 22 ASN HB3 . 15206 1 194 . 1 1 22 22 ASN C C 13 180.593 . . 1 . . . . 22 ASN C . 15206 1 195 . 1 1 22 22 ASN CA C 13 54.800 . . 1 . . . . 22 ASN CA . 15206 1 196 . 1 1 22 22 ASN CB C 13 38.648 . . 1 . . . . 22 ASN CB . 15206 1 197 . 1 1 22 22 ASN N N 15 119.207 . . 1 . . . . 22 ASN N . 15206 1 198 . 1 1 23 23 LEU H H 1 8.099 . . 1 . . . . 23 LEU HN . 15206 1 199 . 1 1 23 23 LEU HA H 1 4.044 . . 1 . . . . 23 LEU HA . 15206 1 200 . 1 1 23 23 LEU HB2 H 1 1.829 . . 2 . . . . 23 LEU HB2 . 15206 1 201 . 1 1 23 23 LEU HB3 H 1 1.462 . . 2 . . . . 23 LEU HB3 . 15206 1 202 . 1 1 23 23 LEU HG H 1 1.590 . . 1 . . . . 23 LEU HG . 15206 1 203 . 1 1 23 23 LEU HD11 H 1 0.745 . . 2 . . . . 23 LEU QD1 . 15206 1 204 . 1 1 23 23 LEU HD12 H 1 0.745 . . 2 . . . . 23 LEU QD1 . 15206 1 205 . 1 1 23 23 LEU HD13 H 1 0.745 . . 2 . . . . 23 LEU QD1 . 15206 1 206 . 1 1 23 23 LEU HD21 H 1 0.797 . . 2 . . . . 23 LEU QD2 . 15206 1 207 . 1 1 23 23 LEU HD22 H 1 0.797 . . 2 . . . . 23 LEU QD2 . 15206 1 208 . 1 1 23 23 LEU HD23 H 1 0.797 . . 2 . . . . 23 LEU QD2 . 15206 1 209 . 1 1 23 23 LEU C C 13 178.523 . . 1 . . . . 23 LEU C . 15206 1 210 . 1 1 23 23 LEU CA C 13 57.754 . . 1 . . . . 23 LEU CA . 15206 1 211 . 1 1 23 23 LEU CB C 13 42.508 . . 1 . . . . 23 LEU CB . 15206 1 212 . 1 1 23 23 LEU CG C 13 27.563 . . 1 . . . . 23 LEU CG . 15206 1 213 . 1 1 23 23 LEU CD1 C 13 25.375 . . 2 . . . . 23 LEU CD1 . 15206 1 214 . 1 1 23 23 LEU CD2 C 13 23.771 . . 2 . . . . 23 LEU CD2 . 15206 1 215 . 1 1 23 23 LEU N N 15 121.230 . . 1 . . . . 23 LEU N . 15206 1 216 . 1 1 24 24 GLN H H 1 8.481 . . 1 . . . . 24 GLN HN . 15206 1 217 . 1 1 24 24 GLN HA H 1 3.466 . . 1 . . . . 24 GLN HA . 15206 1 218 . 1 1 24 24 GLN HB2 H 1 2.153 . . 1 . . . . 24 GLN QB . 15206 1 219 . 1 1 24 24 GLN HB3 H 1 2.153 . . 1 . . . . 24 GLN QB . 15206 1 220 . 1 1 24 24 GLN HG2 H 1 2.178 . . 1 . . . . 24 GLN QG . 15206 1 221 . 1 1 24 24 GLN HG3 H 1 2.178 . . 1 . . . . 24 GLN QG . 15206 1 222 . 1 1 24 24 GLN C C 13 178.370 . . 1 . . . . 24 GLN C . 15206 1 223 . 1 1 24 24 GLN CA C 13 59.244 . . 1 . . . . 24 GLN CA . 15206 1 224 . 1 1 24 24 GLN CB C 13 28.328 . . 1 . . . . 24 GLN CB . 15206 1 225 . 1 1 24 24 GLN CG C 13 34.126 . . 1 . . . . 24 GLN CG . 15206 1 226 . 1 1 24 24 GLN N N 15 119.770 . . 1 . . . . 24 GLN N . 15206 1 227 . 1 1 25 25 THR H H 1 8.017 . . 1 . . . . 25 THR HN . 15206 1 228 . 1 1 25 25 THR HA H 1 3.971 . . 1 . . . . 25 THR HA . 15206 1 229 . 1 1 25 25 THR HB H 1 4.285 . . 1 . . . . 25 THR HB . 15206 1 230 . 1 1 25 25 THR HG21 H 1 1.220 . . 1 . . . . 25 THR QG2 . 15206 1 231 . 1 1 25 25 THR HG22 H 1 1.220 . . 1 . . . . 25 THR QG2 . 15206 1 232 . 1 1 25 25 THR HG23 H 1 1.220 . . 1 . . . . 25 THR QG2 . 15206 1 233 . 1 1 25 25 THR C C 13 176.111 . . 1 . . . . 25 THR C . 15206 1 234 . 1 1 25 25 THR CA C 13 65.870 . . 1 . . . . 25 THR CA . 15206 1 235 . 1 1 25 25 THR CB C 13 68.549 . . 1 . . . . 25 THR CB . 15206 1 236 . 1 1 25 25 THR CG2 C 13 21.678 . . 1 . . . . 25 THR CG2 . 15206 1 237 . 1 1 25 25 THR N N 15 115.927 . . 1 . . . . 25 THR N . 15206 1 238 . 1 1 26 26 GLN H H 1 7.895 . . 1 . . . . 26 GLN HN . 15206 1 239 . 1 1 26 26 GLN HA H 1 4.133 . . 1 . . . . 26 GLN HA . 15206 1 240 . 1 1 26 26 GLN HB2 H 1 2.265 . . 2 . . . . 26 GLN HB2 . 15206 1 241 . 1 1 26 26 GLN HB3 H 1 1.989 . . 2 . . . . 26 GLN HB3 . 15206 1 242 . 1 1 26 26 GLN HG2 H 1 2.604 . . 2 . . . . 26 GLN HG2 . 15206 1 243 . 1 1 26 26 GLN HG3 H 1 2.387 . . 2 . . . . 26 GLN HG3 . 15206 1 244 . 1 1 26 26 GLN C C 13 179.571 . . 1 . . . . 26 GLN C . 15206 1 245 . 1 1 26 26 GLN CA C 13 58.835 . . 1 . . . . 26 GLN CA . 15206 1 246 . 1 1 26 26 GLN CB C 13 28.730 . . 1 . . . . 26 GLN CB . 15206 1 247 . 1 1 26 26 GLN CG C 13 34.125 . . 1 . . . . 26 GLN CG . 15206 1 248 . 1 1 26 26 GLN N N 15 120.302 . . 1 . . . . 26 GLN N . 15206 1 249 . 1 1 27 27 VAL H H 1 8.197 . . 1 . . . . 27 VAL HN . 15206 1 250 . 1 1 27 27 VAL HA H 1 3.514 . . 1 . . . . 27 VAL HA . 15206 1 251 . 1 1 27 27 VAL HB H 1 2.099 . . 1 . . . . 27 VAL HB . 15206 1 252 . 1 1 27 27 VAL HG11 H 1 0.791 . . 2 . . . . 27 VAL QG1 . 15206 1 253 . 1 1 27 27 VAL HG12 H 1 0.791 . . 2 . . . . 27 VAL QG1 . 15206 1 254 . 1 1 27 27 VAL HG13 H 1 0.791 . . 2 . . . . 27 VAL QG1 . 15206 1 255 . 1 1 27 27 VAL HG21 H 1 0.841 . . 2 . . . . 27 VAL QG2 . 15206 1 256 . 1 1 27 27 VAL HG22 H 1 0.841 . . 2 . . . . 27 VAL QG2 . 15206 1 257 . 1 1 27 27 VAL HG23 H 1 0.841 . . 2 . . . . 27 VAL QG2 . 15206 1 258 . 1 1 27 27 VAL C C 13 177.010 . . 1 . . . . 27 VAL C . 15206 1 259 . 1 1 27 27 VAL CA C 13 66.937 . . 1 . . . . 27 VAL CA . 15206 1 260 . 1 1 27 27 VAL CB C 13 31.501 . . 1 . . . . 27 VAL CB . 15206 1 261 . 1 1 27 27 VAL CG1 C 13 23.333 . . 2 . . . . 27 VAL CG1 . 15206 1 262 . 1 1 27 27 VAL CG2 C 13 22.166 . . 2 . . . . 27 VAL CG2 . 15206 1 263 . 1 1 27 27 VAL N N 15 122.122 . . 1 . . . . 27 VAL N . 15206 1 264 . 1 1 28 28 THR H H 1 8.043 . . 1 . . . . 28 THR HN . 15206 1 265 . 1 1 28 28 THR HA H 1 3.850 . . 1 . . . . 28 THR HA . 15206 1 266 . 1 1 28 28 THR HB H 1 4.259 . . 1 . . . . 28 THR HB . 15206 1 267 . 1 1 28 28 THR HG21 H 1 1.222 . . 1 . . . . 28 THR QG2 . 15206 1 268 . 1 1 28 28 THR HG22 H 1 1.222 . . 1 . . . . 28 THR QG2 . 15206 1 269 . 1 1 28 28 THR HG23 H 1 1.222 . . 1 . . . . 28 THR QG2 . 15206 1 270 . 1 1 28 28 THR C C 13 176.052 . . 1 . . . . 28 THR C . 15206 1 271 . 1 1 28 28 THR CA C 13 66.383 . . 1 . . . . 28 THR CA . 15206 1 272 . 1 1 28 28 THR CB C 13 68.549 . . 1 . . . . 28 THR CB . 15206 1 273 . 1 1 28 28 THR CG2 C 13 22.020 . . 1 . . . . 28 THR CG2 . 15206 1 274 . 1 1 28 28 THR N N 15 116.625 . . 1 . . . . 28 THR N . 15206 1 275 . 1 1 29 29 GLU H H 1 8.382 . . 1 . . . . 29 GLU HN . 15206 1 276 . 1 1 29 29 GLU HA H 1 4.102 . . 1 . . . . 29 GLU HA . 15206 1 277 . 1 1 29 29 GLU HB2 H 1 2.084 . . 2 . . . . 29 GLU HB2 . 15206 1 278 . 1 1 29 29 GLU HB3 H 1 1.985 . . 2 . . . . 29 GLU HB3 . 15206 1 279 . 1 1 29 29 GLU HG2 H 1 2.447 . . 2 . . . . 29 GLU HG2 . 15206 1 280 . 1 1 29 29 GLU HG3 H 1 2.195 . . 2 . . . . 29 GLU HG3 . 15206 1 281 . 1 1 29 29 GLU C C 13 178.528 . . 1 . . . . 29 GLU C . 15206 1 282 . 1 1 29 29 GLU CA C 13 59.194 . . 1 . . . . 29 GLU CA . 15206 1 283 . 1 1 29 29 GLU CB C 13 29.605 . . 1 . . . . 29 GLU CB . 15206 1 284 . 1 1 29 29 GLU CG C 13 36.606 . . 1 . . . . 29 GLU CG . 15206 1 285 . 1 1 29 29 GLU N N 15 121.395 . . 1 . . . . 29 GLU N . 15206 1 286 . 1 1 30 30 ALA H H 1 7.884 . . 1 . . . . 30 ALA HN . 15206 1 287 . 1 1 30 30 ALA HA H 1 4.170 . . 1 . . . . 30 ALA HA . 15206 1 288 . 1 1 30 30 ALA HB1 H 1 1.645 . . 1 . . . . 30 ALA QB . 15206 1 289 . 1 1 30 30 ALA HB2 H 1 1.645 . . 1 . . . . 30 ALA QB . 15206 1 290 . 1 1 30 30 ALA HB3 H 1 1.645 . . 1 . . . . 30 ALA QB . 15206 1 291 . 1 1 30 30 ALA C C 13 180.644 . . 1 . . . . 30 ALA C . 15206 1 292 . 1 1 30 30 ALA CA C 13 54.658 . . 1 . . . . 30 ALA CA . 15206 1 293 . 1 1 30 30 ALA CB C 13 18.035 . . 1 . . . . 30 ALA CB . 15206 1 294 . 1 1 30 30 ALA N N 15 121.248 . . 1 . . . . 30 ALA N . 15206 1 295 . 1 1 31 31 LEU H H 1 8.570 . . 1 . . . . 31 LEU HN . 15206 1 296 . 1 1 31 31 LEU HA H 1 3.663 . . 1 . . . . 31 LEU HA . 15206 1 297 . 1 1 31 31 LEU HB2 H 1 1.834 . . 2 . . . . 31 LEU HB2 . 15206 1 298 . 1 1 31 31 LEU HB3 H 1 1.586 . . 2 . . . . 31 LEU HB3 . 15206 1 299 . 1 1 31 31 LEU HG H 1 1.394 . . 1 . . . . 31 LEU HG . 15206 1 300 . 1 1 31 31 LEU HD11 H 1 0.412 . . 2 . . . . 31 LEU QD1 . 15206 1 301 . 1 1 31 31 LEU HD12 H 1 0.412 . . 2 . . . . 31 LEU QD1 . 15206 1 302 . 1 1 31 31 LEU HD13 H 1 0.412 . . 2 . . . . 31 LEU QD1 . 15206 1 303 . 1 1 31 31 LEU HD21 H 1 0.661 . . 2 . . . . 31 LEU QD2 . 15206 1 304 . 1 1 31 31 LEU HD22 H 1 0.661 . . 2 . . . . 31 LEU QD2 . 15206 1 305 . 1 1 31 31 LEU HD23 H 1 0.661 . . 2 . . . . 31 LEU QD2 . 15206 1 306 . 1 1 31 31 LEU C C 13 178.214 . . 1 . . . . 31 LEU C . 15206 1 307 . 1 1 31 31 LEU CA C 13 57.462 . . 1 . . . . 31 LEU CA . 15206 1 308 . 1 1 31 31 LEU CB C 13 41.164 . . 1 . . . . 31 LEU CB . 15206 1 309 . 1 1 31 31 LEU CG C 13 26.688 . . 1 . . . . 31 LEU CG . 15206 1 310 . 1 1 31 31 LEU CD1 C 13 22.604 . . 2 . . . . 31 LEU CD1 . 15206 1 311 . 1 1 31 31 LEU CD2 C 13 25.083 . . 2 . . . . 31 LEU CD2 . 15206 1 312 . 1 1 31 31 LEU N N 15 123.142 . . 1 . . . . 31 LEU N . 15206 1 313 . 1 1 32 32 ASP H H 1 8.406 . . 1 . . . . 32 ASP HN . 15206 1 314 . 1 1 32 32 ASP HA H 1 4.316 . . 1 . . . . 32 ASP HA . 15206 1 315 . 1 1 32 32 ASP HB2 H 1 2.788 . . 2 . . . . 32 ASP HB2 . 15206 1 316 . 1 1 32 32 ASP HB3 H 1 2.598 . . 2 . . . . 32 ASP HB3 . 15206 1 317 . 1 1 32 32 ASP C C 13 179.462 . . 1 . . . . 32 ASP C . 15206 1 318 . 1 1 32 32 ASP CA C 13 57.069 . . 1 . . . . 32 ASP CA . 15206 1 319 . 1 1 32 32 ASP CB C 13 40.107 . . 1 . . . . 32 ASP CB . 15206 1 320 . 1 1 32 32 ASP N N 15 120.434 . . 1 . . . . 32 ASP N . 15206 1 321 . 1 1 33 33 LYS H H 1 7.804 . . 1 . . . . 33 LYS HN . 15206 1 322 . 1 1 33 33 LYS HA H 1 4.021 . . 1 . . . . 33 LYS HA . 15206 1 323 . 1 1 33 33 LYS HB2 H 1 1.839 . . 1 . . . . 33 LYS QB . 15206 1 324 . 1 1 33 33 LYS HB3 H 1 1.839 . . 1 . . . . 33 LYS QB . 15206 1 325 . 1 1 33 33 LYS HG2 H 1 1.695 . . 2 . . . . 33 LYS HG2 . 15206 1 326 . 1 1 33 33 LYS HG3 H 1 1.456 . . 2 . . . . 33 LYS HG3 . 15206 1 327 . 1 1 33 33 LYS HD2 H 1 1.653 . . 1 . . . . 33 LYS QD . 15206 1 328 . 1 1 33 33 LYS HD3 H 1 1.653 . . 1 . . . . 33 LYS QD . 15206 1 329 . 1 1 33 33 LYS HE2 H 1 2.926 . . 1 . . . . 33 LYS QE . 15206 1 330 . 1 1 33 33 LYS HE3 H 1 2.926 . . 1 . . . . 33 LYS QE . 15206 1 331 . 1 1 33 33 LYS C C 13 178.951 . . 1 . . . . 33 LYS C . 15206 1 332 . 1 1 33 33 LYS CA C 13 59.108 . . 1 . . . . 33 LYS CA . 15206 1 333 . 1 1 33 33 LYS CB C 13 32.713 . . 1 . . . . 33 LYS CB . 15206 1 334 . 1 1 33 33 LYS CG C 13 25.667 . . 1 . . . . 33 LYS CG . 15206 1 335 . 1 1 33 33 LYS CD C 13 28.876 . . 1 . . . . 33 LYS CD . 15206 1 336 . 1 1 33 33 LYS CE C 13 41.857 . . 1 . . . . 33 LYS CE . 15206 1 337 . 1 1 33 33 LYS N N 15 118.915 . . 1 . . . . 33 LYS N . 15206 1 338 . 1 1 34 34 LEU H H 1 7.637 . . 1 . . . . 34 LEU HN . 15206 1 339 . 1 1 34 34 LEU HA H 1 3.962 . . 1 . . . . 34 LEU HA . 15206 1 340 . 1 1 34 34 LEU HB2 H 1 1.838 . . 2 . . . . 34 LEU HB2 . 15206 1 341 . 1 1 34 34 LEU HB3 H 1 1.228 . . 2 . . . . 34 LEU HB3 . 15206 1 342 . 1 1 34 34 LEU HG H 1 1.388 . . 1 . . . . 34 LEU HG . 15206 1 343 . 1 1 34 34 LEU HD11 H 1 0.690 . . 2 . . . . 34 LEU QD1 . 15206 1 344 . 1 1 34 34 LEU HD12 H 1 0.690 . . 2 . . . . 34 LEU QD1 . 15206 1 345 . 1 1 34 34 LEU HD13 H 1 0.690 . . 2 . . . . 34 LEU QD1 . 15206 1 346 . 1 1 34 34 LEU HD21 H 1 0.842 . . 2 . . . . 34 LEU QD2 . 15206 1 347 . 1 1 34 34 LEU HD22 H 1 0.842 . . 2 . . . . 34 LEU QD2 . 15206 1 348 . 1 1 34 34 LEU HD23 H 1 0.842 . . 2 . . . . 34 LEU QD2 . 15206 1 349 . 1 1 34 34 LEU CA C 13 56.972 . . 1 . . . . 34 LEU CA . 15206 1 350 . 1 1 34 34 LEU CB C 13 42.294 . . 1 . . . . 34 LEU CB . 15206 1 351 . 1 1 34 34 LEU CG C 13 26.834 . . 1 . . . . 34 LEU CG . 15206 1 352 . 1 1 34 34 LEU CD1 C 13 26.250 . . 2 . . . . 34 LEU CD1 . 15206 1 353 . 1 1 34 34 LEU CD2 C 13 23.625 . . 2 . . . . 34 LEU CD2 . 15206 1 354 . 1 1 34 34 LEU N N 15 120.868 . . 1 . . . . 34 LEU N . 15206 1 355 . 1 1 35 35 ALA HA H 1 3.863 . . 1 . . . . 35 ALA HA . 15206 1 356 . 1 1 35 35 ALA HB1 H 1 1.379 . . 1 . . . . 35 ALA QB . 15206 1 357 . 1 1 35 35 ALA HB2 H 1 1.379 . . 1 . . . . 35 ALA QB . 15206 1 358 . 1 1 35 35 ALA HB3 H 1 1.379 . . 1 . . . . 35 ALA QB . 15206 1 359 . 1 1 35 35 ALA CA C 13 53.963 . . 1 . . . . 35 ALA CA . 15206 1 360 . 1 1 35 35 ALA CB C 13 18.228 . . 1 . . . . 35 ALA CB . 15206 1 361 . 1 1 36 36 ALA HA H 1 4.243 . . 1 . . . . 36 ALA HA . 15206 1 362 . 1 1 36 36 ALA HB1 H 1 1.445 . . 1 . . . . 36 ALA QB . 15206 1 363 . 1 1 36 36 ALA HB2 H 1 1.445 . . 1 . . . . 36 ALA QB . 15206 1 364 . 1 1 36 36 ALA HB3 H 1 1.445 . . 1 . . . . 36 ALA QB . 15206 1 365 . 1 1 36 36 ALA C C 13 178.081 . . 1 . . . . 36 ALA C . 15206 1 366 . 1 1 36 36 ALA CA C 13 52.960 . . 1 . . . . 36 ALA CA . 15206 1 367 . 1 1 36 36 ALA CB C 13 19.278 . . 1 . . . . 36 ALA CB . 15206 1 368 . 1 1 37 37 LYS H H 1 7.484 . . 1 . . . . 37 LYS HN . 15206 1 369 . 1 1 37 37 LYS HA H 1 4.555 . . 1 . . . . 37 LYS HA . 15206 1 370 . 1 1 37 37 LYS HB2 H 1 1.935 . . 2 . . . . 37 LYS HB2 . 15206 1 371 . 1 1 37 37 LYS HB3 H 1 1.586 . . 2 . . . . 37 LYS HB3 . 15206 1 372 . 1 1 37 37 LYS HG2 H 1 1.365 . . 1 . . . . 37 LYS QG . 15206 1 373 . 1 1 37 37 LYS HG3 H 1 1.365 . . 1 . . . . 37 LYS QG . 15206 1 374 . 1 1 37 37 LYS HD2 H 1 1.723 . . 1 . . . . 37 LYS QD . 15206 1 375 . 1 1 37 37 LYS HD3 H 1 1.723 . . 1 . . . . 37 LYS QD . 15206 1 376 . 1 1 37 37 LYS HE2 H 1 2.995 . . 2 . . . . 37 LYS HE2 . 15206 1 377 . 1 1 37 37 LYS HE3 H 1 2.954 . . 2 . . . . 37 LYS HE3 . 15206 1 378 . 1 1 37 37 LYS CA C 13 54.377 . . 1 . . . . 37 LYS CA . 15206 1 379 . 1 1 37 37 LYS CB C 13 33.397 . . 1 . . . . 37 LYS CB . 15206 1 380 . 1 1 37 37 LYS CG C 13 25.375 . . 1 . . . . 37 LYS CG . 15206 1 381 . 1 1 37 37 LYS CD C 13 29.459 . . 1 . . . . 37 LYS CD . 15206 1 382 . 1 1 37 37 LYS CE C 13 42.002 . . 1 . . . . 37 LYS CE . 15206 1 383 . 1 1 37 37 LYS N N 15 119.664 . . 1 . . . . 37 LYS N . 15206 1 384 . 1 1 38 38 PRO HA H 1 4.536 . . 1 . . . . 38 PRO HA . 15206 1 385 . 1 1 38 38 PRO HB2 H 1 2.185 . . 2 . . . . 38 PRO HB2 . 15206 1 386 . 1 1 38 38 PRO HB3 H 1 1.864 . . 2 . . . . 38 PRO HB3 . 15206 1 387 . 1 1 38 38 PRO HG2 H 1 1.920 . . 1 . . . . 38 PRO QG . 15206 1 388 . 1 1 38 38 PRO HG3 H 1 1.920 . . 1 . . . . 38 PRO QG . 15206 1 389 . 1 1 38 38 PRO HD2 H 1 3.539 . . 2 . . . . 38 PRO HD2 . 15206 1 390 . 1 1 38 38 PRO HD3 H 1 3.445 . . 2 . . . . 38 PRO HD3 . 15206 1 391 . 1 1 38 38 PRO C C 13 177.584 . . 1 . . . . 38 PRO C . 15206 1 392 . 1 1 38 38 PRO CA C 13 64.696 . . 1 . . . . 38 PRO CA . 15206 1 393 . 1 1 38 38 PRO CB C 13 31.939 . . 1 . . . . 38 PRO CB . 15206 1 394 . 1 1 38 38 PRO CG C 13 27.125 . . 1 . . . . 38 PRO CG . 15206 1 395 . 1 1 38 38 PRO CD C 13 49.693 . . 1 . . . . 38 PRO CD . 15206 1 396 . 1 1 39 39 SER H H 1 8.031 . . 1 . . . . 39 SER HN . 15206 1 397 . 1 1 39 39 SER HA H 1 4.427 . . 1 . . . . 39 SER HA . 15206 1 398 . 1 1 39 39 SER HB2 H 1 4.008 . . 2 . . . . 39 SER HB2 . 15206 1 399 . 1 1 39 39 SER HB3 H 1 3.807 . . 2 . . . . 39 SER HB3 . 15206 1 400 . 1 1 39 39 SER C C 13 174.393 . . 1 . . . . 39 SER C . 15206 1 401 . 1 1 39 39 SER CA C 13 57.676 . . 1 . . . . 39 SER CA . 15206 1 402 . 1 1 39 39 SER CB C 13 63.702 . . 1 . . . . 39 SER CB . 15206 1 403 . 1 1 39 39 SER N N 15 112.062 . . 1 . . . . 39 SER N . 15206 1 404 . 1 1 40 40 ASP H H 1 7.802 . . 1 . . . . 40 ASP HN . 15206 1 405 . 1 1 40 40 ASP HA H 1 4.877 . . 1 . . . . 40 ASP HA . 15206 1 406 . 1 1 40 40 ASP HB2 H 1 3.092 . . 2 . . . . 40 ASP HB2 . 15206 1 407 . 1 1 40 40 ASP HB3 H 1 2.504 . . 2 . . . . 40 ASP HB3 . 15206 1 408 . 1 1 40 40 ASP CA C 13 52.365 . . 1 . . . . 40 ASP CA . 15206 1 409 . 1 1 40 40 ASP CB C 13 42.878 . . 1 . . . . 40 ASP CB . 15206 1 410 . 1 1 40 40 ASP N N 15 124.947 . . 1 . . . . 40 ASP N . 15206 1 411 . 1 1 41 41 PRO HA H 1 4.307 . . 1 . . . . 41 PRO HA . 15206 1 412 . 1 1 41 41 PRO HB2 H 1 2.390 . . 2 . . . . 41 PRO HB2 . 15206 1 413 . 1 1 41 41 PRO HB3 H 1 2.027 . . 2 . . . . 41 PRO HB3 . 15206 1 414 . 1 1 41 41 PRO HG2 H 1 2.142 . . 2 . . . . 41 PRO HG2 . 15206 1 415 . 1 1 41 41 PRO HG3 H 1 2.077 . . 2 . . . . 41 PRO HG3 . 15206 1 416 . 1 1 41 41 PRO HD2 H 1 4.335 . . 2 . . . . 41 PRO HD2 . 15206 1 417 . 1 1 41 41 PRO HD3 H 1 3.901 . . 2 . . . . 41 PRO HD3 . 15206 1 418 . 1 1 41 41 PRO CA C 13 64.900 . . 1 . . . . 41 PRO CA . 15206 1 419 . 1 1 41 41 PRO CB C 13 32.084 . . 1 . . . . 41 PRO CB . 15206 1 420 . 1 1 41 41 PRO CG C 13 27.271 . . 1 . . . . 41 PRO CG . 15206 1 421 . 1 1 41 41 PRO CD C 13 51.257 . . 1 . . . . 41 PRO CD . 15206 1 422 . 1 1 42 42 ALA H H 1 8.221 . . 1 . . . . 42 ALA HN . 15206 1 423 . 1 1 42 42 ALA HA H 1 4.294 . . 1 . . . . 42 ALA HA . 15206 1 424 . 1 1 42 42 ALA HB1 H 1 1.495 . . 1 . . . . 42 ALA QB . 15206 1 425 . 1 1 42 42 ALA HB2 H 1 1.495 . . 1 . . . . 42 ALA QB . 15206 1 426 . 1 1 42 42 ALA HB3 H 1 1.495 . . 1 . . . . 42 ALA QB . 15206 1 427 . 1 1 42 42 ALA CA C 13 54.785 . . 1 . . . . 42 ALA CA . 15206 1 428 . 1 1 42 42 ALA CB C 13 17.936 . . 1 . . . . 42 ALA CB . 15206 1 429 . 1 1 42 42 ALA N N 15 122.627 . . 1 . . . . 42 ALA N . 15206 1 430 . 1 1 43 43 LEU HA H 1 4.205 . . 1 . . . . 43 LEU HA . 15206 1 431 . 1 1 43 43 LEU HB2 H 1 1.997 . . 2 . . . . 43 LEU HB2 . 15206 1 432 . 1 1 43 43 LEU HB3 H 1 1.370 . . 2 . . . . 43 LEU HB3 . 15206 1 433 . 1 1 43 43 LEU HG H 1 1.718 . . 1 . . . . 43 LEU HG . 15206 1 434 . 1 1 43 43 LEU HD11 H 1 0.832 . . 2 . . . . 43 LEU QD1 . 15206 1 435 . 1 1 43 43 LEU HD12 H 1 0.832 . . 2 . . . . 43 LEU QD1 . 15206 1 436 . 1 1 43 43 LEU HD13 H 1 0.832 . . 2 . . . . 43 LEU QD1 . 15206 1 437 . 1 1 43 43 LEU HD21 H 1 1.014 . . 2 . . . . 43 LEU QD2 . 15206 1 438 . 1 1 43 43 LEU HD22 H 1 1.014 . . 2 . . . . 43 LEU QD2 . 15206 1 439 . 1 1 43 43 LEU HD23 H 1 1.014 . . 2 . . . . 43 LEU QD2 . 15206 1 440 . 1 1 43 43 LEU CA C 13 56.734 . . 1 . . . . 43 LEU CA . 15206 1 441 . 1 1 43 43 LEU CB C 13 41.565 . . 1 . . . . 43 LEU CB . 15206 1 442 . 1 1 43 43 LEU CG C 13 26.688 . . 1 . . . . 43 LEU CG . 15206 1 443 . 1 1 43 43 LEU CD1 C 13 22.166 . . 2 . . . . 43 LEU CD1 . 15206 1 444 . 1 1 43 43 LEU CD2 C 13 26.542 . . 2 . . . . 43 LEU CD2 . 15206 1 445 . 1 1 44 44 LEU HA H 1 4.235 . . 1 . . . . 44 LEU HA . 15206 1 446 . 1 1 44 44 LEU HB2 H 1 1.793 . . 2 . . . . 44 LEU HB2 . 15206 1 447 . 1 1 44 44 LEU HB3 H 1 1.749 . . 2 . . . . 44 LEU HB3 . 15206 1 448 . 1 1 44 44 LEU HG H 1 1.571 . . 1 . . . . 44 LEU HG . 15206 1 449 . 1 1 44 44 LEU HD11 H 1 0.962 . . 2 . . . . 44 LEU QD1 . 15206 1 450 . 1 1 44 44 LEU HD12 H 1 0.962 . . 2 . . . . 44 LEU QD1 . 15206 1 451 . 1 1 44 44 LEU HD13 H 1 0.962 . . 2 . . . . 44 LEU QD1 . 15206 1 452 . 1 1 44 44 LEU HD21 H 1 1.012 . . 2 . . . . 44 LEU QD2 . 15206 1 453 . 1 1 44 44 LEU HD22 H 1 1.012 . . 2 . . . . 44 LEU QD2 . 15206 1 454 . 1 1 44 44 LEU HD23 H 1 1.012 . . 2 . . . . 44 LEU QD2 . 15206 1 455 . 1 1 44 44 LEU C C 13 178.196 . . 1 . . . . 44 LEU C . 15206 1 456 . 1 1 44 44 LEU CA C 13 58.334 . . 1 . . . . 44 LEU CA . 15206 1 457 . 1 1 44 44 LEU CB C 13 41.520 . . 1 . . . . 44 LEU CB . 15206 1 458 . 1 1 44 44 LEU CG C 13 27.125 . . 1 . . . . 44 LEU CG . 15206 1 459 . 1 1 44 44 LEU CD1 C 13 25.285 . . 2 . . . . 44 LEU CD1 . 15206 1 460 . 1 1 44 44 LEU CD2 C 13 23.801 . . 2 . . . . 44 LEU CD2 . 15206 1 461 . 1 1 45 45 ALA H H 1 7.885 . . 1 . . . . 45 ALA HN . 15206 1 462 . 1 1 45 45 ALA HA H 1 4.189 . . 1 . . . . 45 ALA HA . 15206 1 463 . 1 1 45 45 ALA HB1 H 1 1.498 . . 1 . . . . 45 ALA QB . 15206 1 464 . 1 1 45 45 ALA HB2 H 1 1.498 . . 1 . . . . 45 ALA QB . 15206 1 465 . 1 1 45 45 ALA HB3 H 1 1.498 . . 1 . . . . 45 ALA QB . 15206 1 466 . 1 1 45 45 ALA C C 13 180.527 . . 1 . . . . 45 ALA C . 15206 1 467 . 1 1 45 45 ALA CA C 13 54.907 . . 1 . . . . 45 ALA CA . 15206 1 468 . 1 1 45 45 ALA CB C 13 17.848 . . 1 . . . . 45 ALA CB . 15206 1 469 . 1 1 45 45 ALA N N 15 121.241 . . 1 . . . . 45 ALA N . 15206 1 470 . 1 1 46 46 ALA H H 1 8.018 . . 1 . . . . 46 ALA HN . 15206 1 471 . 1 1 46 46 ALA HA H 1 4.198 . . 1 . . . . 46 ALA HA . 15206 1 472 . 1 1 46 46 ALA HB1 H 1 1.530 . . 1 . . . . 46 ALA QB . 15206 1 473 . 1 1 46 46 ALA HB2 H 1 1.530 . . 1 . . . . 46 ALA QB . 15206 1 474 . 1 1 46 46 ALA HB3 H 1 1.530 . . 1 . . . . 46 ALA QB . 15206 1 475 . 1 1 46 46 ALA C C 13 180.072 . . 1 . . . . 46 ALA C . 15206 1 476 . 1 1 46 46 ALA CA C 13 54.932 . . 1 . . . . 46 ALA CA . 15206 1 477 . 1 1 46 46 ALA CB C 13 18.495 . . 1 . . . . 46 ALA CB . 15206 1 478 . 1 1 46 46 ALA N N 15 120.792 . . 1 . . . . 46 ALA N . 15206 1 479 . 1 1 47 47 TYR H H 1 7.804 . . 1 . . . . 47 TYR HN . 15206 1 480 . 1 1 47 47 TYR HA H 1 4.173 . . 1 . . . . 47 TYR HA . 15206 1 481 . 1 1 47 47 TYR HB2 H 1 3.111 . . 2 . . . . 47 TYR HB2 . 15206 1 482 . 1 1 47 47 TYR HB3 H 1 3.022 . . 2 . . . . 47 TYR HB3 . 15206 1 483 . 1 1 47 47 TYR C C 13 176.012 . . 1 . . . . 47 TYR C . 15206 1 484 . 1 1 47 47 TYR CA C 13 60.984 . . 1 . . . . 47 TYR CA . 15206 1 485 . 1 1 47 47 TYR CB C 13 38.316 . . 1 . . . . 47 TYR CB . 15206 1 486 . 1 1 47 47 TYR N N 15 118.549 . . 1 . . . . 47 TYR N . 15206 1 487 . 1 1 48 48 GLN H H 1 8.531 . . 1 . . . . 48 GLN HN . 15206 1 488 . 1 1 48 48 GLN HA H 1 3.554 . . 1 . . . . 48 GLN HA . 15206 1 489 . 1 1 48 48 GLN HB2 H 1 2.175 . . 2 . . . . 48 GLN HB2 . 15206 1 490 . 1 1 48 48 GLN HB3 H 1 1.994 . . 2 . . . . 48 GLN HB3 . 15206 1 491 . 1 1 48 48 GLN HG2 H 1 2.577 . . 2 . . . . 48 GLN HG2 . 15206 1 492 . 1 1 48 48 GLN HG3 H 1 2.304 . . 2 . . . . 48 GLN HG3 . 15206 1 493 . 1 1 48 48 GLN C C 13 179.279 . . 1 . . . . 48 GLN C . 15206 1 494 . 1 1 48 48 GLN CA C 13 59.042 . . 1 . . . . 48 GLN CA . 15206 1 495 . 1 1 48 48 GLN CB C 13 27.990 . . 1 . . . . 48 GLN CB . 15206 1 496 . 1 1 48 48 GLN CG C 13 34.126 . . 1 . . . . 48 GLN CG . 15206 1 497 . 1 1 48 48 GLN N N 15 117.399 . . 1 . . . . 48 GLN N . 15206 1 498 . 1 1 49 49 SER H H 1 8.316 . . 1 . . . . 49 SER HN . 15206 1 499 . 1 1 49 49 SER HA H 1 4.194 . . 1 . . . . 49 SER HA . 15206 1 500 . 1 1 49 49 SER HB2 H 1 3.976 . . 1 . . . . 49 SER QB . 15206 1 501 . 1 1 49 49 SER HB3 H 1 3.976 . . 1 . . . . 49 SER QB . 15206 1 502 . 1 1 49 49 SER C C 13 176.978 . . 1 . . . . 49 SER C . 15206 1 503 . 1 1 49 49 SER CA C 13 61.444 . . 1 . . . . 49 SER CA . 15206 1 504 . 1 1 49 49 SER CB C 13 62.915 . . 1 . . . . 49 SER CB . 15206 1 505 . 1 1 49 49 SER N N 15 114.905 . . 1 . . . . 49 SER N . 15206 1 506 . 1 1 50 50 LYS H H 1 7.904 . . 1 . . . . 50 LYS HN . 15206 1 507 . 1 1 50 50 LYS HA H 1 4.202 . . 1 . . . . 50 LYS HA . 15206 1 508 . 1 1 50 50 LYS HB2 H 1 1.928 . . 2 . . . . 50 LYS HB2 . 15206 1 509 . 1 1 50 50 LYS HB3 H 1 1.694 . . 2 . . . . 50 LYS HB3 . 15206 1 510 . 1 1 50 50 LYS HG2 H 1 1.536 . . 2 . . . . 50 LYS HG2 . 15206 1 511 . 1 1 50 50 LYS HG3 H 1 1.493 . . 2 . . . . 50 LYS HG3 . 15206 1 512 . 1 1 50 50 LYS HD2 H 1 1.821 . . 1 . . . . 50 LYS QD . 15206 1 513 . 1 1 50 50 LYS HD3 H 1 1.821 . . 1 . . . . 50 LYS QD . 15206 1 514 . 1 1 50 50 LYS HE2 H 1 2.934 . . 2 . . . . 50 LYS HE2 . 15206 1 515 . 1 1 50 50 LYS HE3 H 1 2.903 . . 2 . . . . 50 LYS HE3 . 15206 1 516 . 1 1 50 50 LYS C C 13 178.282 . . 1 . . . . 50 LYS C . 15206 1 517 . 1 1 50 50 LYS CA C 13 57.181 . . 1 . . . . 50 LYS CA . 15206 1 518 . 1 1 50 50 LYS CB C 13 30.726 . . 1 . . . . 50 LYS CB . 15206 1 519 . 1 1 50 50 LYS CG C 13 24.062 . . 1 . . . . 50 LYS CG . 15206 1 520 . 1 1 50 50 LYS CD C 13 26.979 . . 1 . . . . 50 LYS CD . 15206 1 521 . 1 1 50 50 LYS CE C 13 41.419 . . 1 . . . . 50 LYS CE . 15206 1 522 . 1 1 50 50 LYS N N 15 122.392 . . 1 . . . . 50 LYS N . 15206 1 523 . 1 1 51 51 LEU H H 1 8.593 . . 1 . . . . 51 LEU HN . 15206 1 524 . 1 1 51 51 LEU HA H 1 3.968 . . 1 . . . . 51 LEU HA . 15206 1 525 . 1 1 51 51 LEU HB2 H 1 1.509 . . 2 . . . . 51 LEU HB2 . 15206 1 526 . 1 1 51 51 LEU HB3 H 1 1.020 . . 2 . . . . 51 LEU HB3 . 15206 1 527 . 1 1 51 51 LEU HG H 1 1.443 . . 1 . . . . 51 LEU HG . 15206 1 528 . 1 1 51 51 LEU HD11 H 1 0.781 . . 2 . . . . 51 LEU QD1 . 15206 1 529 . 1 1 51 51 LEU HD12 H 1 0.781 . . 2 . . . . 51 LEU QD1 . 15206 1 530 . 1 1 51 51 LEU HD13 H 1 0.781 . . 2 . . . . 51 LEU QD1 . 15206 1 531 . 1 1 51 51 LEU HD21 H 1 0.856 . . 2 . . . . 51 LEU QD2 . 15206 1 532 . 1 1 51 51 LEU HD22 H 1 0.856 . . 2 . . . . 51 LEU QD2 . 15206 1 533 . 1 1 51 51 LEU HD23 H 1 0.856 . . 2 . . . . 51 LEU QD2 . 15206 1 534 . 1 1 51 51 LEU C C 13 178.637 . . 1 . . . . 51 LEU C . 15206 1 535 . 1 1 51 51 LEU CA C 13 57.811 . . 1 . . . . 51 LEU CA . 15206 1 536 . 1 1 51 51 LEU CB C 13 41.761 . . 1 . . . . 51 LEU CB . 15206 1 537 . 1 1 51 51 LEU CG C 13 26.542 . . 1 . . . . 51 LEU CG . 15206 1 538 . 1 1 51 51 LEU CD1 C 13 24.937 . . 2 . . . . 51 LEU CD1 . 15206 1 539 . 1 1 51 51 LEU CD2 C 13 23.479 . . 2 . . . . 51 LEU CD2 . 15206 1 540 . 1 1 51 51 LEU N N 15 121.244 . . 1 . . . . 51 LEU N . 15206 1 541 . 1 1 52 52 SER H H 1 7.966 . . 1 . . . . 52 SER HN . 15206 1 542 . 1 1 52 52 SER HA H 1 4.233 . . 1 . . . . 52 SER HA . 15206 1 543 . 1 1 52 52 SER HB2 H 1 3.995 . . 1 . . . . 52 SER QB . 15206 1 544 . 1 1 52 52 SER HB3 H 1 3.995 . . 1 . . . . 52 SER QB . 15206 1 545 . 1 1 52 52 SER C C 13 176.783 . . 1 . . . . 52 SER C . 15206 1 546 . 1 1 52 52 SER CA C 13 61.636 . . 1 . . . . 52 SER CA . 15206 1 547 . 1 1 52 52 SER CB C 13 62.796 . . 1 . . . . 52 SER CB . 15206 1 548 . 1 1 52 52 SER N N 15 113.807 . . 1 . . . . 52 SER N . 15206 1 549 . 1 1 53 53 GLU H H 1 7.868 . . 1 . . . . 53 GLU HN . 15206 1 550 . 1 1 53 53 GLU HA H 1 4.003 . . 1 . . . . 53 GLU HA . 15206 1 551 . 1 1 53 53 GLU HB2 H 1 2.193 . . 1 . . . . 53 GLU QB . 15206 1 552 . 1 1 53 53 GLU HB3 H 1 2.193 . . 1 . . . . 53 GLU QB . 15206 1 553 . 1 1 53 53 GLU HG2 H 1 2.462 . . 2 . . . . 53 GLU HG2 . 15206 1 554 . 1 1 53 53 GLU HG3 H 1 2.218 . . 2 . . . . 53 GLU HG3 . 15206 1 555 . 1 1 53 53 GLU C C 13 178.781 . . 1 . . . . 53 GLU C . 15206 1 556 . 1 1 53 53 GLU CA C 13 59.518 . . 1 . . . . 53 GLU CA . 15206 1 557 . 1 1 53 53 GLU CB C 13 30.079 . . 1 . . . . 53 GLU CB . 15206 1 558 . 1 1 53 53 GLU CG C 13 36.314 . . 1 . . . . 53 GLU CG . 15206 1 559 . 1 1 53 53 GLU N N 15 122.086 . . 1 . . . . 53 GLU N . 15206 1 560 . 1 1 54 54 TYR H H 1 8.426 . . 1 . . . . 54 TYR HN . 15206 1 561 . 1 1 54 54 TYR HA H 1 4.259 . . 1 . . . . 54 TYR HA . 15206 1 562 . 1 1 54 54 TYR HB2 H 1 3.198 . . 2 . . . . 54 TYR HB2 . 15206 1 563 . 1 1 54 54 TYR HB3 H 1 2.936 . . 2 . . . . 54 TYR HB3 . 15206 1 564 . 1 1 54 54 TYR C C 13 176.677 . . 1 . . . . 54 TYR C . 15206 1 565 . 1 1 54 54 TYR CA C 13 60.887 . . 1 . . . . 54 TYR CA . 15206 1 566 . 1 1 54 54 TYR CB C 13 38.650 . . 1 . . . . 54 TYR CB . 15206 1 567 . 1 1 54 54 TYR N N 15 120.402 . . 1 . . . . 54 TYR N . 15206 1 568 . 1 1 55 55 ASN H H 1 8.674 . . 1 . . . . 55 ASN HN . 15206 1 569 . 1 1 55 55 ASN HA H 1 4.255 . . 1 . . . . 55 ASN HA . 15206 1 570 . 1 1 55 55 ASN HB2 H 1 2.846 . . 2 . . . . 55 ASN HB2 . 15206 1 571 . 1 1 55 55 ASN HB3 H 1 2.735 . . 2 . . . . 55 ASN HB3 . 15206 1 572 . 1 1 55 55 ASN C C 13 177.561 . . 1 . . . . 55 ASN C . 15206 1 573 . 1 1 55 55 ASN CA C 13 55.647 . . 1 . . . . 55 ASN CA . 15206 1 574 . 1 1 55 55 ASN CB C 13 38.004 . . 1 . . . . 55 ASN CB . 15206 1 575 . 1 1 55 55 ASN N N 15 118.089 . . 1 . . . . 55 ASN N . 15206 1 576 . 1 1 56 56 LEU H H 1 8.053 . . 1 . . . . 56 LEU HN . 15206 1 577 . 1 1 56 56 LEU HA H 1 4.037 . . 1 . . . . 56 LEU HA . 15206 1 578 . 1 1 56 56 LEU HB2 H 1 1.759 . . 2 . . . . 56 LEU HB2 . 15206 1 579 . 1 1 56 56 LEU HB3 H 1 1.533 . . 2 . . . . 56 LEU HB3 . 15206 1 580 . 1 1 56 56 LEU HG H 1 1.630 . . 1 . . . . 56 LEU HG . 15206 1 581 . 1 1 56 56 LEU HD11 H 1 0.809 . . 2 . . . . 56 LEU QD1 . 15206 1 582 . 1 1 56 56 LEU HD12 H 1 0.809 . . 2 . . . . 56 LEU QD1 . 15206 1 583 . 1 1 56 56 LEU HD13 H 1 0.809 . . 2 . . . . 56 LEU QD1 . 15206 1 584 . 1 1 56 56 LEU HD21 H 1 0.850 . . 2 . . . . 56 LEU QD2 . 15206 1 585 . 1 1 56 56 LEU HD22 H 1 0.850 . . 2 . . . . 56 LEU QD2 . 15206 1 586 . 1 1 56 56 LEU HD23 H 1 0.850 . . 2 . . . . 56 LEU QD2 . 15206 1 587 . 1 1 56 56 LEU C C 13 179.149 . . 1 . . . . 56 LEU C . 15206 1 588 . 1 1 56 56 LEU CA C 13 57.800 . . 1 . . . . 56 LEU CA . 15206 1 589 . 1 1 56 56 LEU CB C 13 41.905 . . 1 . . . . 56 LEU CB . 15206 1 590 . 1 1 56 56 LEU CG C 13 26.834 . . 1 . . . . 56 LEU CG . 15206 1 591 . 1 1 56 56 LEU CD1 C 13 23.771 . . 2 . . . . 56 LEU CD1 . 15206 1 592 . 1 1 56 56 LEU CD2 C 13 24.792 . . 2 . . . . 56 LEU CD2 . 15206 1 593 . 1 1 56 56 LEU N N 15 121.071 . . 1 . . . . 56 LEU N . 15206 1 594 . 1 1 57 57 TYR H H 1 7.783 . . 1 . . . . 57 TYR HN . 15206 1 595 . 1 1 57 57 TYR HA H 1 4.209 . . 1 . . . . 57 TYR HA . 15206 1 596 . 1 1 57 57 TYR HB2 H 1 3.055 . . 2 . . . . 57 TYR HB2 . 15206 1 597 . 1 1 57 57 TYR HB3 H 1 2.978 . . 2 . . . . 57 TYR HB3 . 15206 1 598 . 1 1 57 57 TYR C C 13 177.619 . . 1 . . . . 57 TYR C . 15206 1 599 . 1 1 57 57 TYR CA C 13 60.408 . . 1 . . . . 57 TYR CA . 15206 1 600 . 1 1 57 57 TYR CB C 13 38.605 . . 1 . . . . 57 TYR CB . 15206 1 601 . 1 1 57 57 TYR N N 15 119.618 . . 1 . . . . 57 TYR N . 15206 1 602 . 1 1 58 58 ARG H H 1 8.226 . . 1 . . . . 58 ARG HN . 15206 1 603 . 1 1 58 58 ARG HA H 1 3.847 . . 1 . . . . 58 ARG HA . 15206 1 604 . 1 1 58 58 ARG HB2 H 1 1.571 . . 1 . . . . 58 ARG QB . 15206 1 605 . 1 1 58 58 ARG HB3 H 1 1.571 . . 1 . . . . 58 ARG QB . 15206 1 606 . 1 1 58 58 ARG HG2 H 1 1.353 . . 1 . . . . 58 ARG QG . 15206 1 607 . 1 1 58 58 ARG HG3 H 1 1.353 . . 1 . . . . 58 ARG QG . 15206 1 608 . 1 1 58 58 ARG HD2 H 1 2.932 . . 2 . . . . 58 ARG HD2 . 15206 1 609 . 1 1 58 58 ARG HD3 H 1 2.845 . . 2 . . . . 58 ARG HD3 . 15206 1 610 . 1 1 58 58 ARG C C 13 177.756 . . 1 . . . . 58 ARG C . 15206 1 611 . 1 1 58 58 ARG CA C 13 57.785 . . 1 . . . . 58 ARG CA . 15206 1 612 . 1 1 58 58 ARG CB C 13 29.637 . . 1 . . . . 58 ARG CB . 15206 1 613 . 1 1 58 58 ARG CG C 13 26.688 . . 1 . . . . 58 ARG CG . 15206 1 614 . 1 1 58 58 ARG CD C 13 42.877 . . 1 . . . . 58 ARG CD . 15206 1 615 . 1 1 58 58 ARG N N 15 118.950 . . 1 . . . . 58 ARG N . 15206 1 616 . 1 1 59 59 ASN H H 1 8.036 . . 1 . . . . 59 ASN HN . 15206 1 617 . 1 1 59 59 ASN HA H 1 4.529 . . 1 . . . . 59 ASN HA . 15206 1 618 . 1 1 59 59 ASN HB2 H 1 2.784 . . 2 . . . . 59 ASN HB2 . 15206 1 619 . 1 1 59 59 ASN C C 13 175.851 . . 1 . . . . 59 ASN C . 15206 1 620 . 1 1 59 59 ASN CA C 13 54.331 . . 1 . . . . 59 ASN CA . 15206 1 621 . 1 1 59 59 ASN CB C 13 38.576 . . 1 . . . . 59 ASN CB . 15206 1 622 . 1 1 59 59 ASN N N 15 117.639 . . 1 . . . . 59 ASN N . 15206 1 623 . 1 1 60 60 ALA H H 1 7.800 . . 1 . . . . 60 ALA HN . 15206 1 624 . 1 1 60 60 ALA HA H 1 4.208 . . 1 . . . . 60 ALA HA . 15206 1 625 . 1 1 60 60 ALA HB1 H 1 1.385 . . 1 . . . . 60 ALA QB . 15206 1 626 . 1 1 60 60 ALA HB2 H 1 1.385 . . 1 . . . . 60 ALA QB . 15206 1 627 . 1 1 60 60 ALA HB3 H 1 1.385 . . 1 . . . . 60 ALA QB . 15206 1 628 . 1 1 60 60 ALA C C 13 178.431 . . 1 . . . . 60 ALA C . 15206 1 629 . 1 1 60 60 ALA CA C 13 53.432 . . 1 . . . . 60 ALA CA . 15206 1 630 . 1 1 60 60 ALA CB C 13 23.875 . . 1 . . . . 60 ALA CB . 15206 1 631 . 1 1 60 60 ALA N N 15 122.801 . . 1 . . . . 60 ALA N . 15206 1 632 . 1 1 61 61 GLN H H 1 7.955 . . 1 . . . . 61 GLN HN . 15206 1 633 . 1 1 61 61 GLN HA H 1 4.161 . . 1 . . . . 61 GLN HA . 15206 1 634 . 1 1 61 61 GLN HB2 H 1 2.090 . . 2 . . . . 61 GLN HB2 . 15206 1 635 . 1 1 61 61 GLN HB3 H 1 1.895 . . 2 . . . . 61 GLN HB3 . 15206 1 636 . 1 1 61 61 GLN HG2 H 1 2.198 . . 1 . . . . 61 GLN QG . 15206 1 637 . 1 1 61 61 GLN HG3 H 1 2.198 . . 1 . . . . 61 GLN QG . 15206 1 638 . 1 1 61 61 GLN C C 13 176.528 . . 1 . . . . 61 GLN C . 15206 1 639 . 1 1 61 61 GLN CA C 13 56.215 . . 1 . . . . 61 GLN CA . 15206 1 640 . 1 1 61 61 GLN CB C 13 28.875 . . 1 . . . . 61 GLN CB . 15206 1 641 . 1 1 61 61 GLN CG C 13 33.543 . . 1 . . . . 61 GLN CG . 15206 1 642 . 1 1 61 61 GLN N N 15 117.587 . . 1 . . . . 61 GLN N . 15206 1 643 . 1 1 62 62 SER H H 1 8.047 . . 1 . . . . 62 SER HN . 15206 1 644 . 1 1 62 62 SER HA H 1 4.342 . . 1 . . . . 62 SER HA . 15206 1 645 . 1 1 62 62 SER HB2 H 1 3.882 . . 2 . . . . 62 SER HB2 . 15206 1 646 . 1 1 62 62 SER HB3 H 1 3.825 . . 2 . . . . 62 SER HB3 . 15206 1 647 . 1 1 62 62 SER C C 13 174.510 . . 1 . . . . 62 SER C . 15206 1 648 . 1 1 62 62 SER CA C 13 58.933 . . 1 . . . . 62 SER CA . 15206 1 649 . 1 1 62 62 SER CB C 13 63.652 . . 1 . . . . 62 SER CB . 15206 1 650 . 1 1 62 62 SER N N 15 115.292 . . 1 . . . . 62 SER N . 15206 1 651 . 1 1 63 63 ASN H H 1 8.289 . . 1 . . . . 63 ASN HN . 15206 1 652 . 1 1 63 63 ASN HA H 1 4.725 . . 1 . . . . 63 ASN HA . 15206 1 653 . 1 1 63 63 ASN HB2 H 1 2.823 . . 2 . . . . 63 ASN HB2 . 15206 1 654 . 1 1 63 63 ASN HB3 H 1 2.762 . . 2 . . . . 63 ASN HB3 . 15206 1 655 . 1 1 63 63 ASN C C 13 175.376 . . 1 . . . . 63 ASN C . 15206 1 656 . 1 1 63 63 ASN CA C 13 53.525 . . 1 . . . . 63 ASN CA . 15206 1 657 . 1 1 63 63 ASN CB C 13 38.813 . . 1 . . . . 63 ASN CB . 15206 1 658 . 1 1 63 63 ASN N N 15 120.221 . . 1 . . . . 63 ASN N . 15206 1 659 . 1 1 64 64 THR H H 1 7.993 . . 1 . . . . 64 THR HN . 15206 1 660 . 1 1 64 64 THR HA H 1 4.265 . . 1 . . . . 64 THR HA . 15206 1 661 . 1 1 64 64 THR HB H 1 4.174 . . 1 . . . . 64 THR HB . 15206 1 662 . 1 1 64 64 THR HG21 H 1 1.161 . . 1 . . . . 64 THR QG2 . 15206 1 663 . 1 1 64 64 THR HG22 H 1 1.161 . . 1 . . . . 64 THR QG2 . 15206 1 664 . 1 1 64 64 THR HG23 H 1 1.161 . . 1 . . . . 64 THR QG2 . 15206 1 665 . 1 1 64 64 THR C C 13 174.487 . . 1 . . . . 64 THR C . 15206 1 666 . 1 1 64 64 THR CA C 13 62.346 . . 1 . . . . 64 THR CA . 15206 1 667 . 1 1 64 64 THR CB C 13 69.765 . . 1 . . . . 64 THR CB . 15206 1 668 . 1 1 64 64 THR CG2 C 13 21.583 . . 1 . . . . 64 THR CG2 . 15206 1 669 . 1 1 64 64 THR N N 15 114.038 . . 1 . . . . 64 THR N . 15206 1 670 . 1 1 65 65 VAL H H 1 8.018 . . 1 . . . . 65 VAL HN . 15206 1 671 . 1 1 65 65 VAL HA H 1 4.017 . . 1 . . . . 65 VAL HA . 15206 1 672 . 1 1 65 65 VAL HB H 1 2.030 . . 1 . . . . 65 VAL HB . 15206 1 673 . 1 1 65 65 VAL HG11 H 1 0.863 . . 2 . . . . 65 VAL QG1 . 15206 1 674 . 1 1 65 65 VAL HG12 H 1 0.863 . . 2 . . . . 65 VAL QG1 . 15206 1 675 . 1 1 65 65 VAL HG13 H 1 0.863 . . 2 . . . . 65 VAL QG1 . 15206 1 676 . 1 1 65 65 VAL HG21 H 1 0.907 . . 2 . . . . 65 VAL QG2 . 15206 1 677 . 1 1 65 65 VAL HG22 H 1 0.907 . . 2 . . . . 65 VAL QG2 . 15206 1 678 . 1 1 65 65 VAL HG23 H 1 0.907 . . 2 . . . . 65 VAL QG2 . 15206 1 679 . 1 1 65 65 VAL C C 13 175.864 . . 1 . . . . 65 VAL C . 15206 1 680 . 1 1 65 65 VAL CA C 13 62.617 . . 1 . . . . 65 VAL CA . 15206 1 681 . 1 1 65 65 VAL CB C 13 32.491 . . 1 . . . . 65 VAL CB . 15206 1 682 . 1 1 65 65 VAL CG1 C 13 20.853 . . 2 . . . . 65 VAL CG1 . 15206 1 683 . 1 1 65 65 VAL CG2 C 13 21.145 . . 2 . . . . 65 VAL CG2 . 15206 1 684 . 1 1 65 65 VAL N N 15 122.556 . . 1 . . . . 65 VAL N . 15206 1 685 . 1 1 66 66 LYS H H 1 8.269 . . 1 . . . . 66 LYS HN . 15206 1 686 . 1 1 66 66 LYS HA H 1 4.230 . . 1 . . . . 66 LYS HA . 15206 1 687 . 1 1 66 66 LYS HB2 H 1 1.667 . . 1 . . . . 66 LYS QB . 15206 1 688 . 1 1 66 66 LYS HB3 H 1 1.667 . . 1 . . . . 66 LYS QB . 15206 1 689 . 1 1 66 66 LYS HG2 H 1 1.331 . . 2 . . . . 66 LYS HG2 . 15206 1 690 . 1 1 66 66 LYS HG3 H 1 1.255 . . 2 . . . . 66 LYS HG3 . 15206 1 691 . 1 1 66 66 LYS HD2 H 1 1.609 . . 1 . . . . 66 LYS QD . 15206 1 692 . 1 1 66 66 LYS HD3 H 1 1.609 . . 1 . . . . 66 LYS QD . 15206 1 693 . 1 1 66 66 LYS C C 13 175.969 . . 1 . . . . 66 LYS C . 15206 1 694 . 1 1 66 66 LYS CA C 13 56.208 . . 1 . . . . 66 LYS CA . 15206 1 695 . 1 1 66 66 LYS CB C 13 33.107 . . 1 . . . . 66 LYS CB . 15206 1 696 . 1 1 66 66 LYS CG C 13 24.792 . . 1 . . . . 66 LYS CG . 15206 1 697 . 1 1 66 66 LYS CD C 13 28.875 . . 1 . . . . 66 LYS CD . 15206 1 698 . 1 1 66 66 LYS N N 15 125.408 . . 1 . . . . 66 LYS N . 15206 1 699 . 1 1 67 67 VAL H H 1 8.001 . . 1 . . . . 67 VAL HN . 15206 1 700 . 1 1 67 67 VAL HA H 1 4.018 . . 1 . . . . 67 VAL HA . 15206 1 701 . 1 1 67 67 VAL HB H 1 1.924 . . 1 . . . . 67 VAL HB . 15206 1 702 . 1 1 67 67 VAL HG11 H 1 0.778 . . 2 . . . . 67 VAL QG1 . 15206 1 703 . 1 1 67 67 VAL HG12 H 1 0.778 . . 2 . . . . 67 VAL QG1 . 15206 1 704 . 1 1 67 67 VAL HG13 H 1 0.778 . . 2 . . . . 67 VAL QG1 . 15206 1 705 . 1 1 67 67 VAL HG21 H 1 0.834 . . 2 . . . . 67 VAL QG2 . 15206 1 706 . 1 1 67 67 VAL HG22 H 1 0.834 . . 2 . . . . 67 VAL QG2 . 15206 1 707 . 1 1 67 67 VAL HG23 H 1 0.834 . . 2 . . . . 67 VAL QG2 . 15206 1 708 . 1 1 67 67 VAL C C 13 175.652 . . 1 . . . . 67 VAL C . 15206 1 709 . 1 1 67 67 VAL CA C 13 62.158 . . 1 . . . . 67 VAL CA . 15206 1 710 . 1 1 67 67 VAL CB C 13 32.951 . . 1 . . . . 67 VAL CB . 15206 1 711 . 1 1 67 67 VAL CG1 C 13 20.999 . . 2 . . . . 67 VAL CG1 . 15206 1 712 . 1 1 67 67 VAL CG2 C 13 20.562 . . 2 . . . . 67 VAL CG2 . 15206 1 713 . 1 1 67 67 VAL N N 15 121.375 . . 1 . . . . 67 VAL N . 15206 1 714 . 1 1 68 68 PHE H H 1 8.340 . . 1 . . . . 68 PHE HN . 15206 1 715 . 1 1 68 68 PHE HA H 1 4.572 . . 1 . . . . 68 PHE HA . 15206 1 716 . 1 1 68 68 PHE HB2 H 1 3.083 . . 2 . . . . 68 PHE HB2 . 15206 1 717 . 1 1 68 68 PHE HB3 H 1 2.941 . . 2 . . . . 68 PHE HB3 . 15206 1 718 . 1 1 68 68 PHE C C 13 175.462 . . 1 . . . . 68 PHE C . 15206 1 719 . 1 1 68 68 PHE CA C 13 57.720 . . 1 . . . . 68 PHE CA . 15206 1 720 . 1 1 68 68 PHE CB C 13 39.765 . . 1 . . . . 68 PHE CB . 15206 1 721 . 1 1 68 68 PHE N N 15 124.212 . . 1 . . . . 68 PHE N . 15206 1 722 . 1 1 69 69 LYS H H 1 8.236 . . 1 . . . . 69 LYS HN . 15206 1 723 . 1 1 69 69 LYS HA H 1 4.239 . . 1 . . . . 69 LYS HA . 15206 1 724 . 1 1 69 69 LYS HB2 H 1 1.754 . . 2 . . . . 69 LYS HB2 . 15206 1 725 . 1 1 69 69 LYS HB3 H 1 1.672 . . 2 . . . . 69 LYS HB3 . 15206 1 726 . 1 1 69 69 LYS HG2 H 1 1.381 . . 2 . . . . 69 LYS HG2 . 15206 1 727 . 1 1 69 69 LYS HG3 H 1 1.339 . . 2 . . . . 69 LYS HG3 . 15206 1 728 . 1 1 69 69 LYS HD2 H 1 1.622 . . 1 . . . . 69 LYS QD . 15206 1 729 . 1 1 69 69 LYS HD3 H 1 1.622 . . 1 . . . . 69 LYS QD . 15206 1 730 . 1 1 69 69 LYS C C 13 175.818 . . 1 . . . . 69 LYS C . 15206 1 731 . 1 1 69 69 LYS CA C 13 56.286 . . 1 . . . . 69 LYS CA . 15206 1 732 . 1 1 69 69 LYS CB C 13 33.448 . . 1 . . . . 69 LYS CB . 15206 1 733 . 1 1 69 69 LYS CG C 13 24.500 . . 1 . . . . 69 LYS CG . 15206 1 734 . 1 1 69 69 LYS CD C 13 28.875 . . 1 . . . . 69 LYS CD . 15206 1 735 . 1 1 69 69 LYS N N 15 123.117 . . 1 . . . . 69 LYS N . 15206 1 736 . 1 1 70 70 ASP H H 1 8.256 . . 1 . . . . 70 ASP HN . 15206 1 737 . 1 1 70 70 ASP HA H 1 4.528 . . 1 . . . . 70 ASP HA . 15206 1 738 . 1 1 70 70 ASP HB2 H 1 2.703 . . 2 . . . . 70 ASP HB2 . 15206 1 739 . 1 1 70 70 ASP HB3 H 1 2.579 . . 2 . . . . 70 ASP HB3 . 15206 1 740 . 1 1 70 70 ASP C C 13 176.465 . . 1 . . . . 70 ASP C . 15206 1 741 . 1 1 70 70 ASP CA C 13 54.553 . . 1 . . . . 70 ASP CA . 15206 1 742 . 1 1 70 70 ASP CB C 13 41.098 . . 1 . . . . 70 ASP CB . 15206 1 743 . 1 1 70 70 ASP N N 15 121.494 . . 1 . . . . 70 ASP N . 15206 1 744 . 1 1 71 71 ILE H H 1 8.100 . . 1 . . . . 71 ILE HN . 15206 1 745 . 1 1 71 71 ILE HA H 1 4.020 . . 1 . . . . 71 ILE HA . 15206 1 746 . 1 1 71 71 ILE HB H 1 1.834 . . 1 . . . . 71 ILE HB . 15206 1 747 . 1 1 71 71 ILE HG12 H 1 1.435 . . 9 . . . . 71 ILE HG12 . 15206 1 748 . 1 1 71 71 ILE HG13 H 1 1.140 . . 9 . . . . 71 ILE HG13 . 15206 1 749 . 1 1 71 71 ILE HG21 H 1 0.856 . . 1 . . . . 71 ILE QG2 . 15206 1 750 . 1 1 71 71 ILE HG22 H 1 0.856 . . 1 . . . . 71 ILE QG2 . 15206 1 751 . 1 1 71 71 ILE HG23 H 1 0.856 . . 1 . . . . 71 ILE QG2 . 15206 1 752 . 1 1 71 71 ILE HD11 H 1 0.787 . . 1 . . . . 71 ILE QD1 . 15206 1 753 . 1 1 71 71 ILE HD12 H 1 0.787 . . 1 . . . . 71 ILE QD1 . 15206 1 754 . 1 1 71 71 ILE HD13 H 1 0.787 . . 1 . . . . 71 ILE QD1 . 15206 1 755 . 1 1 71 71 ILE C C 13 175.997 . . 1 . . . . 71 ILE C . 15206 1 756 . 1 1 71 71 ILE CA C 13 61.831 . . 1 . . . . 71 ILE CA . 15206 1 757 . 1 1 71 71 ILE CB C 13 38.694 . . 1 . . . . 71 ILE CB . 15206 1 758 . 1 1 71 71 ILE CG1 C 13 27.563 . . 1 . . . . 71 ILE CG1 . 15206 1 759 . 1 1 71 71 ILE CG2 C 13 17.499 . . 1 . . . . 71 ILE CG2 . 15206 1 760 . 1 1 71 71 ILE CD1 C 13 13.269 . . 1 . . . . 71 ILE CD1 . 15206 1 761 . 1 1 71 71 ILE N N 15 120.643 . . 1 . . . . 71 ILE N . 15206 1 762 . 1 1 72 72 ASP H H 1 8.180 . . 1 . . . . 72 ASP HN . 15206 1 763 . 1 1 72 72 ASP HA H 1 4.491 . . 1 . . . . 72 ASP HA . 15206 1 764 . 1 1 72 72 ASP HB2 H 1 2.679 . . 2 . . . . 72 ASP HB2 . 15206 1 765 . 1 1 72 72 ASP HB3 H 1 2.605 . . 2 . . . . 72 ASP HB3 . 15206 1 766 . 1 1 72 72 ASP C C 13 176.680 . . 1 . . . . 72 ASP C . 15206 1 767 . 1 1 72 72 ASP CA C 13 55.021 . . 1 . . . . 72 ASP CA . 15206 1 768 . 1 1 72 72 ASP CB C 13 41.122 . . 1 . . . . 72 ASP CB . 15206 1 769 . 1 1 72 72 ASP N N 15 123.265 . . 1 . . . . 72 ASP N . 15206 1 770 . 1 1 73 73 ALA H H 1 8.116 . . 1 . . . . 73 ALA HN . 15206 1 771 . 1 1 73 73 ALA HA H 1 4.130 . . 1 . . . . 73 ALA HA . 15206 1 772 . 1 1 73 73 ALA HB1 H 1 1.396 . . 1 . . . . 73 ALA QB . 15206 1 773 . 1 1 73 73 ALA HB2 H 1 1.396 . . 1 . . . . 73 ALA QB . 15206 1 774 . 1 1 73 73 ALA HB3 H 1 1.396 . . 1 . . . . 73 ALA QB . 15206 1 775 . 1 1 73 73 ALA C C 13 178.312 . . 1 . . . . 73 ALA C . 15206 1 776 . 1 1 73 73 ALA CA C 13 53.513 . . 1 . . . . 73 ALA CA . 15206 1 777 . 1 1 73 73 ALA CB C 13 18.947 . . 1 . . . . 73 ALA CB . 15206 1 778 . 1 1 73 73 ALA N N 15 124.310 . . 1 . . . . 73 ALA N . 15206 1 779 . 1 1 74 74 ALA H H 1 8.138 . . 1 . . . . 74 ALA HN . 15206 1 780 . 1 1 74 74 ALA HA H 1 4.149 . . 1 . . . . 74 ALA HA . 15206 1 781 . 1 1 74 74 ALA HB1 H 1 1.362 . . 1 . . . . 74 ALA QB . 15206 1 782 . 1 1 74 74 ALA HB2 H 1 1.362 . . 1 . . . . 74 ALA QB . 15206 1 783 . 1 1 74 74 ALA HB3 H 1 1.362 . . 1 . . . . 74 ALA QB . 15206 1 784 . 1 1 74 74 ALA C C 13 178.750 . . 1 . . . . 74 ALA C . 15206 1 785 . 1 1 74 74 ALA CA C 13 53.464 . . 1 . . . . 74 ALA CA . 15206 1 786 . 1 1 74 74 ALA CB C 13 18.755 . . 1 . . . . 74 ALA CB . 15206 1 787 . 1 1 74 74 ALA N N 15 121.606 . . 1 . . . . 74 ALA N . 15206 1 788 . 1 1 75 75 ILE H H 1 7.841 . . 1 . . . . 75 ILE HN . 15206 1 789 . 1 1 75 75 ILE HA H 1 3.947 . . 1 . . . . 75 ILE HA . 15206 1 790 . 1 1 75 75 ILE HB H 1 1.875 . . 1 . . . . 75 ILE HB . 15206 1 791 . 1 1 75 75 ILE HG12 H 1 1.485 . . 9 . . . . 75 ILE HG12 . 15206 1 792 . 1 1 75 75 ILE HG13 H 1 1.139 . . 9 . . . . 75 ILE HG13 . 15206 1 793 . 1 1 75 75 ILE HG21 H 1 0.835 . . 1 . . . . 75 ILE QG2 . 15206 1 794 . 1 1 75 75 ILE HG22 H 1 0.835 . . 1 . . . . 75 ILE QG2 . 15206 1 795 . 1 1 75 75 ILE HG23 H 1 0.835 . . 1 . . . . 75 ILE QG2 . 15206 1 796 . 1 1 75 75 ILE HD11 H 1 0.806 . . 1 . . . . 75 ILE QD1 . 15206 1 797 . 1 1 75 75 ILE HD12 H 1 0.806 . . 1 . . . . 75 ILE QD1 . 15206 1 798 . 1 1 75 75 ILE HD13 H 1 0.806 . . 1 . . . . 75 ILE QD1 . 15206 1 799 . 1 1 75 75 ILE C C 13 176.893 . . 1 . . . . 75 ILE C . 15206 1 800 . 1 1 75 75 ILE CA C 13 62.174 . . 1 . . . . 75 ILE CA . 15206 1 801 . 1 1 75 75 ILE CB C 13 38.214 . . 1 . . . . 75 ILE CB . 15206 1 802 . 1 1 75 75 ILE CG1 C 13 27.709 . . 1 . . . . 75 ILE CG1 . 15206 1 803 . 1 1 75 75 ILE CG2 C 13 17.499 . . 1 . . . . 75 ILE CG2 . 15206 1 804 . 1 1 75 75 ILE CD1 C 13 12.977 . . 1 . . . . 75 ILE CD1 . 15206 1 805 . 1 1 75 75 ILE N N 15 118.632 . . 1 . . . . 75 ILE N . 15206 1 806 . 1 1 76 76 LEU H H 1 7.919 . . 1 . . . . 76 LEU HN . 15206 1 807 . 1 1 76 76 LEU HA H 1 4.189 . . 1 . . . . 76 LEU HA . 15206 1 808 . 1 1 76 76 LEU HB2 H 1 1.620 . . 2 . . . . 76 LEU HB2 . 15206 1 809 . 1 1 76 76 LEU HB3 H 1 1.494 . . 2 . . . . 76 LEU HB3 . 15206 1 810 . 1 1 76 76 LEU HG H 1 1.560 . . 1 . . . . 76 LEU HG . 15206 1 811 . 1 1 76 76 LEU HD11 H 1 0.789 . . 2 . . . . 76 LEU QD1 . 15206 1 812 . 1 1 76 76 LEU HD12 H 1 0.789 . . 2 . . . . 76 LEU QD1 . 15206 1 813 . 1 1 76 76 LEU HD13 H 1 0.789 . . 2 . . . . 76 LEU QD1 . 15206 1 814 . 1 1 76 76 LEU HD21 H 1 0.843 . . 2 . . . . 76 LEU QD2 . 15206 1 815 . 1 1 76 76 LEU HD22 H 1 0.843 . . 2 . . . . 76 LEU QD2 . 15206 1 816 . 1 1 76 76 LEU HD23 H 1 0.843 . . 2 . . . . 76 LEU QD2 . 15206 1 817 . 1 1 76 76 LEU C C 13 177.743 . . 1 . . . . 76 LEU C . 15206 1 818 . 1 1 76 76 LEU CA C 13 55.804 . . 1 . . . . 76 LEU CA . 15206 1 819 . 1 1 76 76 LEU CB C 13 42.174 . . 1 . . . . 76 LEU CB . 15206 1 820 . 1 1 76 76 LEU CG C 13 26.979 . . 1 . . . . 76 LEU CG . 15206 1 821 . 1 1 76 76 LEU CD1 C 13 23.479 . . 2 . . . . 76 LEU CD1 . 15206 1 822 . 1 1 76 76 LEU CD2 C 13 24.937 . . 2 . . . . 76 LEU CD2 . 15206 1 823 . 1 1 76 76 LEU N N 15 123.571 . . 1 . . . . 76 LEU N . 15206 1 824 . 1 1 77 77 GLU H H 1 8.050 . . 1 . . . . 77 GLU HN . 15206 1 825 . 1 1 77 77 GLU HA H 1 4.104 . . 1 . . . . 77 GLU HA . 15206 1 826 . 1 1 77 77 GLU HB2 H 1 1.892 . . 1 . . . . 77 GLU QB . 15206 1 827 . 1 1 77 77 GLU HB3 H 1 1.892 . . 1 . . . . 77 GLU QB . 15206 1 828 . 1 1 77 77 GLU HG2 H 1 2.196 . . 2 . . . . 77 GLU HG2 . 15206 1 829 . 1 1 77 77 GLU HG3 H 1 2.118 . . 2 . . . . 77 GLU HG3 . 15206 1 830 . 1 1 77 77 GLU C C 13 176.605 . . 1 . . . . 77 GLU C . 15206 1 831 . 1 1 77 77 GLU CA C 13 57.046 . . 1 . . . . 77 GLU CA . 15206 1 832 . 1 1 77 77 GLU CB C 13 30.118 . . 1 . . . . 77 GLU CB . 15206 1 833 . 1 1 77 77 GLU CG C 13 36.023 . . 1 . . . . 77 GLU CG . 15206 1 834 . 1 1 77 77 GLU N N 15 119.985 . . 1 . . . . 77 GLU N . 15206 1 835 . 1 1 78 78 HIS H H 1 8.099 . . 1 . . . . 78 HIS HN . 15206 1 836 . 1 1 78 78 HIS HA H 1 4.479 . . 1 . . . . 78 HIS HA . 15206 1 837 . 1 1 78 78 HIS C C 13 175.241 . . 1 . . . . 78 HIS CA . 15206 1 838 . 1 1 78 78 HIS CA C 13 56.455 . . 1 . . . . 78 HIS CA . 15206 1 839 . 1 1 78 78 HIS N N 15 118.922 . . 1 . . . . 78 HIS N . 15206 1 840 . 1 1 79 79 HIS H H 1 8.172 . . 1 . . . . 79 HIS HN . 15206 1 841 . 1 1 79 79 HIS CA C 13 56.306 . . 1 . . . . 79 HIS CA . 15206 1 842 . 1 1 79 79 HIS N N 15 119.297 . . 1 . . . . 79 HIS N . 15206 1 843 . 1 1 82 82 HIS C C 13 173.823 . . 1 . . . . 79 HIS CA . 15206 1 844 . 1 1 83 83 HIS H H 1 8.079 . . 1 . . . . 83 HIS HN . 15206 1 845 . 1 1 83 83 HIS N N 15 125.276 . . 1 . . . . 83 HIS N . 15206 1 stop_ save_