data_18216 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18216 _Entry.Title ; NMR structure of an acyl-carrier protein from Rickettsia prowazekii.(Seattle Structural Genomics Center for Infectious Disease (SSGCID)) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-25 _Entry.Accession_date 2012-01-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 10 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Ravi P' Barnwal . . . 18216 2 Shane Gonen . . . 18216 3 Gabriele Varani . . . 18216 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 'Seattle Structural Genomics Center for Infectious Disease' 'Seattle Structural Genomics Center for Infectious Disease' . 18216 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'acyl carrier protein' . 18216 'NMR structure' . 18216 'Rickettsia prowazekii' . 18216 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18216 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 18216 '15N chemical shifts' 78 18216 '1H chemical shifts' 513 18216 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 . . 2013-02-12 2012-01-25 update BMRB 'update entry citation' 18216 1 . . 2012-02-10 2012-01-25 original author 'original release' 18216 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LOL 'BMRB Entry Tracking System' 18216 TargetDB RiprA.10532.a . 18216 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18216 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21904063 _Citation.Full_citation . _Citation.Title 'NMR structure of an acyl-carrier protein from Borrelia burgdorferi.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun.' _Citation.Journal_name_full 'Acta crystallographica. Section F, Structural biology and crystallization communications' _Citation.Journal_volume 67 _Citation.Journal_issue 'Pt 9' _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 1137 _Citation.Page_last 1140 _Citation.Year 2011 _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 Ravi Barnwal . P. . 18216 1 2 Wesley 'Van Voorhis' . C. . 18216 1 3 G. Varani . . . 18216 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18216 _Assembly.ID 1 _Assembly.Name 'acyl-carrier protein from Rickettsia prowazekii' _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 'acyl-carrier protein from Rickettsia prowazekii' 1 $acyl_carrier_protein A . yes native no no . . . 18216 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_acyl_carrier_protein _Entity.Sf_category entity _Entity.Sf_framecode acyl_carrier_protein _Entity.Entry_ID 18216 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name acyl_carrier_protein _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 ; MSTTDKIEQKVIEMVAEKLN KDKAIITTDSRFIEDLKADS LDTVELMMAIEVEYGIDIPD DEATKIKTVSDVIKYIKERQ S ; _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 81 _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 9250.662 _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 2LOL . "Nmr Structure Of An Acyl-Carrier Protein From Rickettsia Prowazekii, Seattle Structural Genomics Center For Infectious Disease " . . . . . 100.00 81 100.00 100.00 1.67e-46 . . . . 18216 1 2 no DBJ BAK97067 . "acyl carrier protein [Rickettsia japonica YH]" . . . . . 100.00 86 98.77 100.00 5.28e-46 . . . . 18216 1 3 no EMBL CAA15191 . "ACYL CARRIER PROTEIN (acpP) [Rickettsia prowazekii str. Madrid E]" . . . . . 100.00 86 100.00 100.00 1.86e-46 . . . . 18216 1 4 no EMBL CDI28789 . "Acyl carrier protein [Rickettsia monacensis IrR/Munich]" . . . . . 100.00 81 98.77 100.00 5.06e-46 . . . . 18216 1 5 no EMBL CEO16541 . "Acyl carrier protein [Rickettsia monacensis]" . . . . . 100.00 81 98.77 100.00 5.06e-46 . . . . 18216 1 6 no GB AAL03723 . "acyl carrier protein [Rickettsia conorii str. Malish 7]" . . . . . 100.00 86 98.77 100.00 5.28e-46 . . . . 18216 1 7 no GB AAU04206 . "acyl carrier protein [Rickettsia typhi str. Wilmington]" . . . . . 100.00 81 100.00 100.00 1.67e-46 . . . . 18216 1 8 no GB AAY62074 . "Acyl carrier protein [Rickettsia felis URRWXCal2]" . . . . . 100.00 86 98.77 100.00 5.28e-46 . . . . 18216 1 9 no GB ABV73896 . "acyl carrier protein [Rickettsia canadensis str. McKiel]" . . . . . 100.00 86 97.53 100.00 1.62e-45 . . . . 18216 1 10 no GB ABV76754 . "acyl carrier protein [Rickettsia rickettsii str. 'Sheila Smith']" . . . . . 100.00 81 97.53 100.00 1.32e-45 . . . . 18216 1 11 no REF NP_221115 . "acyl carrier protein [Rickettsia prowazekii str. Madrid E]" . . . . . 100.00 81 100.00 100.00 1.67e-46 . . . . 18216 1 12 no REF WP_001911850 . "acyl carrier protein [Vibrio cholerae]" . . . . . 95.06 92 97.40 100.00 3.09e-42 . . . . 18216 1 13 no REF WP_004997429 . "MULTISPECIES: acyl carrier protein [spotted fever group]" . . . . . 100.00 81 98.77 100.00 5.06e-46 . . . . 18216 1 14 no REF WP_010886364 . "MULTISPECIES: acyl carrier protein [typhus group]" . . . . . 100.00 81 100.00 100.00 1.67e-46 . . . . 18216 1 15 no REF WP_012151302 . "MULTISPECIES: acyl carrier protein [Rickettsia]" . . . . . 100.00 81 97.53 100.00 1.32e-45 . . . . 18216 1 16 no SP A8EZW3 . "RecName: Full=Acyl carrier protein; Short=ACP" . . . . . 100.00 86 97.53 100.00 1.62e-45 . . . . 18216 1 17 no SP A8F2Q2 . "RecName: Full=Acyl carrier protein; Short=ACP" . . . . . 100.00 86 98.77 100.00 5.28e-46 . . . . 18216 1 18 no SP B0BV67 . "RecName: Full=Acyl carrier protein; Short=ACP" . . . . . 100.00 86 97.53 100.00 1.62e-45 . . . . 18216 1 19 no SP C3PLP2 . "RecName: Full=Acyl carrier protein; Short=ACP" . . . . . 100.00 86 98.77 100.00 5.28e-46 . . . . 18216 1 20 no SP Q4UK61 . "RecName: Full=Acyl carrier protein; Short=ACP" . . . . . 100.00 86 98.77 100.00 5.28e-46 . . . . 18216 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 . 18216 1 2 . SER . 18216 1 3 . THR . 18216 1 4 . THR . 18216 1 5 . ASP . 18216 1 6 . LYS . 18216 1 7 . ILE . 18216 1 8 . GLU . 18216 1 9 . GLN . 18216 1 10 . LYS . 18216 1 11 . VAL . 18216 1 12 . ILE . 18216 1 13 . GLU . 18216 1 14 . MET . 18216 1 15 . VAL . 18216 1 16 . ALA . 18216 1 17 . GLU . 18216 1 18 . LYS . 18216 1 19 . LEU . 18216 1 20 . ASN . 18216 1 21 . LYS . 18216 1 22 . ASP . 18216 1 23 . LYS . 18216 1 24 . ALA . 18216 1 25 . ILE . 18216 1 26 . ILE . 18216 1 27 . THR . 18216 1 28 . THR . 18216 1 29 . ASP . 18216 1 30 . SER . 18216 1 31 . ARG . 18216 1 32 . PHE . 18216 1 33 . ILE . 18216 1 34 . GLU . 18216 1 35 . ASP . 18216 1 36 . LEU . 18216 1 37 . LYS . 18216 1 38 . ALA . 18216 1 39 . ASP . 18216 1 40 . SER . 18216 1 41 . LEU . 18216 1 42 . ASP . 18216 1 43 . THR . 18216 1 44 . VAL . 18216 1 45 . GLU . 18216 1 46 . LEU . 18216 1 47 . MET . 18216 1 48 . MET . 18216 1 49 . ALA . 18216 1 50 . ILE . 18216 1 51 . GLU . 18216 1 52 . VAL . 18216 1 53 . GLU . 18216 1 54 . TYR . 18216 1 55 . GLY . 18216 1 56 . ILE . 18216 1 57 . ASP . 18216 1 58 . ILE . 18216 1 59 . PRO . 18216 1 60 . ASP . 18216 1 61 . ASP . 18216 1 62 . GLU . 18216 1 63 . ALA . 18216 1 64 . THR . 18216 1 65 . LYS . 18216 1 66 . ILE . 18216 1 67 . LYS . 18216 1 68 . THR . 18216 1 69 . VAL . 18216 1 70 . SER . 18216 1 71 . ASP . 18216 1 72 . VAL . 18216 1 73 . ILE . 18216 1 74 . LYS . 18216 1 75 . TYR . 18216 1 76 . ILE . 18216 1 77 . LYS . 18216 1 78 . GLU . 18216 1 79 . ARG . 18216 1 80 . GLN . 18216 1 81 . SER . 18216 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 18216 1 . SER 2 2 18216 1 . THR 3 3 18216 1 . THR 4 4 18216 1 . ASP 5 5 18216 1 . LYS 6 6 18216 1 . ILE 7 7 18216 1 . GLU 8 8 18216 1 . GLN 9 9 18216 1 . LYS 10 10 18216 1 . VAL 11 11 18216 1 . ILE 12 12 18216 1 . GLU 13 13 18216 1 . MET 14 14 18216 1 . VAL 15 15 18216 1 . ALA 16 16 18216 1 . GLU 17 17 18216 1 . LYS 18 18 18216 1 . LEU 19 19 18216 1 . ASN 20 20 18216 1 . LYS 21 21 18216 1 . ASP 22 22 18216 1 . LYS 23 23 18216 1 . ALA 24 24 18216 1 . ILE 25 25 18216 1 . ILE 26 26 18216 1 . THR 27 27 18216 1 . THR 28 28 18216 1 . ASP 29 29 18216 1 . SER 30 30 18216 1 . ARG 31 31 18216 1 . PHE 32 32 18216 1 . ILE 33 33 18216 1 . GLU 34 34 18216 1 . ASP 35 35 18216 1 . LEU 36 36 18216 1 . LYS 37 37 18216 1 . ALA 38 38 18216 1 . ASP 39 39 18216 1 . SER 40 40 18216 1 . LEU 41 41 18216 1 . ASP 42 42 18216 1 . THR 43 43 18216 1 . VAL 44 44 18216 1 . GLU 45 45 18216 1 . LEU 46 46 18216 1 . MET 47 47 18216 1 . MET 48 48 18216 1 . ALA 49 49 18216 1 . ILE 50 50 18216 1 . GLU 51 51 18216 1 . VAL 52 52 18216 1 . GLU 53 53 18216 1 . TYR 54 54 18216 1 . GLY 55 55 18216 1 . ILE 56 56 18216 1 . ASP 57 57 18216 1 . ILE 58 58 18216 1 . PRO 59 59 18216 1 . ASP 60 60 18216 1 . ASP 61 61 18216 1 . GLU 62 62 18216 1 . ALA 63 63 18216 1 . THR 64 64 18216 1 . LYS 65 65 18216 1 . ILE 66 66 18216 1 . LYS 67 67 18216 1 . THR 68 68 18216 1 . VAL 69 69 18216 1 . SER 70 70 18216 1 . ASP 71 71 18216 1 . VAL 72 72 18216 1 . ILE 73 73 18216 1 . LYS 74 74 18216 1 . TYR 75 75 18216 1 . ILE 76 76 18216 1 . LYS 77 77 18216 1 . GLU 78 78 18216 1 . ARG 79 79 18216 1 . GLN 80 80 18216 1 . SER 81 81 18216 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 18216 _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 $acyl_carrier_protein . 782 organism . 'Rickettsia prowazekii' 'Rickettsia prowazekii' . . Bacteria . Rickettsia prowazekii . . . . . . . . . . . . . . . . . . . . . 18216 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 18216 _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 $acyl_carrier_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28-AVA . . . . . . 18216 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18216 _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 'acyl carrier protein' '[U-98% 13C; U-98% 15N]' . . 1 $acyl_carrier_protein . . 1.7 . . mM . . . . 18216 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18216 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18216 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 18216 _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 pH 7 . pH 18216 1 pressure 1 . atm 18216 1 temperature 298 . K 18216 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18216 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18216 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18216 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18216 _Software.ID 2 _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' . . 18216 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18216 2 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 18216 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18216 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18216 3 'data analysis' 18216 3 'peak picking' 18216 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18216 _Software.ID 4 _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' . . 18216 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18216 4 'structure solution' 18216 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 18216 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18216 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18216 _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 AMX . 500 . . . 18216 1 2 spectrometer_2 Bruker Avance . 600 . . . 18216 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 18216 _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 . . . . . . . . . . . . . . . . 18216 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18216 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18216 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18216 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18216 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18216 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18216 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18216 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18216 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18216 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 18216 _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 . . . . . . . . . 18216 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18216 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18216 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 18216 _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' . . . 18216 1 3 '3D CBCA(CO)NH' . . . 18216 1 4 '3D HNCACB' . . . 18216 1 5 '3D HNCO' . . . 18216 1 6 '3D HBHA(CO)NH' . . . 18216 1 10 '3D HCCH-COSY' . . . 18216 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 4 4 THR HA H 1 4.199 0.015 . 1 . . . A 4 THR HA . 18216 1 2 . 1 1 4 4 THR HB H 1 4.170 0.020 . 1 . . . A 4 THR HB . 18216 1 3 . 1 1 4 4 THR HG21 H 1 1.166 0.05 . 1 . . . A 4 THR HG21 . 18216 1 4 . 1 1 4 4 THR HG22 H 1 1.166 0.05 . 1 . . . A 4 THR HG22 . 18216 1 5 . 1 1 4 4 THR HG23 H 1 1.166 0.05 . 1 . . . A 4 THR HG23 . 18216 1 6 . 1 1 4 4 THR C C 13 172.396 0.15 . 1 . . . A 4 THR C . 18216 1 7 . 1 1 4 4 THR CA C 13 62.877 0.073 . 1 . . . A 4 THR CA . 18216 1 8 . 1 1 4 4 THR CB C 13 69.501 0.028 . 1 . . . A 4 THR CB . 18216 1 9 . 1 1 4 4 THR CG2 C 13 21.669 0.15 . 1 . . . A 4 THR CG2 . 18216 1 10 . 1 1 5 5 ASP H H 1 8.457 0.009 . 1 . . . A 5 ASP H . 18216 1 11 . 1 1 5 5 ASP HA H 1 4.560 0.018 . 1 . . . A 5 ASP HA . 18216 1 12 . 1 1 5 5 ASP HB2 H 1 2.814 0.05 . 2 . . . A 5 ASP HB2 . 18216 1 13 . 1 1 5 5 ASP HB3 H 1 2.762 0.019 . 2 . . . A 5 ASP HB3 . 18216 1 14 . 1 1 5 5 ASP C C 13 174.716 0.15 . 1 . . . A 5 ASP C . 18216 1 15 . 1 1 5 5 ASP CA C 13 54.733 0.047 . 1 . . . A 5 ASP CA . 18216 1 16 . 1 1 5 5 ASP CB C 13 41.451 0.052 . 1 . . . A 5 ASP CB . 18216 1 17 . 1 1 5 5 ASP N N 15 123.982 0.069 . 1 . . . A 5 ASP N . 18216 1 18 . 1 1 6 6 LYS H H 1 8.421 0.007 . 1 . . . A 6 LYS H . 18216 1 19 . 1 1 6 6 LYS HA H 1 4.141 0.015 . 1 . . . A 6 LYS HA . 18216 1 20 . 1 1 6 6 LYS HB2 H 1 1.954 0.05 . 2 . . . A 6 LYS HB2 . 18216 1 21 . 1 1 6 6 LYS HB3 H 1 1.908 0.006 . 2 . . . A 6 LYS HB3 . 18216 1 22 . 1 1 6 6 LYS HG3 H 1 1.518 0.007 . 2 . . . A 6 LYS HG3 . 18216 1 23 . 1 1 6 6 LYS HD3 H 1 1.723 0.05 . 2 . . . A 6 LYS HD3 . 18216 1 24 . 1 1 6 6 LYS HE3 H 1 3.049 0.05 . 2 . . . A 6 LYS HE3 . 18216 1 25 . 1 1 6 6 LYS C C 13 177.076 0.15 . 1 . . . A 6 LYS C . 18216 1 26 . 1 1 6 6 LYS CA C 13 58.725 0.041 . 1 . . . A 6 LYS CA . 18216 1 27 . 1 1 6 6 LYS CB C 13 32.481 0.076 . 1 . . . A 6 LYS CB . 18216 1 28 . 1 1 6 6 LYS CG C 13 25.280 0.15 . 1 . . . A 6 LYS CG . 18216 1 29 . 1 1 6 6 LYS CD C 13 29.113 0.15 . 1 . . . A 6 LYS CD . 18216 1 30 . 1 1 6 6 LYS CE C 13 42.267 0.066 . 1 . . . A 6 LYS CE . 18216 1 31 . 1 1 6 6 LYS N N 15 122.949 0.040 . 1 . . . A 6 LYS N . 18216 1 32 . 1 1 7 7 ILE H H 1 8.055 0.006 . 1 . . . A 7 ILE H . 18216 1 33 . 1 1 7 7 ILE HA H 1 4.036 0.015 . 1 . . . A 7 ILE HA . 18216 1 34 . 1 1 7 7 ILE HB H 1 1.882 0.011 . 1 . . . A 7 ILE HB . 18216 1 35 . 1 1 7 7 ILE HG13 H 1 1.704 0.014 . 2 . . . A 7 ILE HG13 . 18216 1 36 . 1 1 7 7 ILE HG21 H 1 0.804 0.011 . 1 . . . A 7 ILE HG21 . 18216 1 37 . 1 1 7 7 ILE HG22 H 1 0.804 0.011 . 1 . . . A 7 ILE HG22 . 18216 1 38 . 1 1 7 7 ILE HG23 H 1 0.804 0.011 . 1 . . . A 7 ILE HG23 . 18216 1 39 . 1 1 7 7 ILE HD11 H 1 0.809 0.012 . 1 . . . A 7 ILE HD11 . 18216 1 40 . 1 1 7 7 ILE HD12 H 1 0.809 0.012 . 1 . . . A 7 ILE HD12 . 18216 1 41 . 1 1 7 7 ILE HD13 H 1 0.809 0.012 . 1 . . . A 7 ILE HD13 . 18216 1 42 . 1 1 7 7 ILE C C 13 174.780 0.15 . 1 . . . A 7 ILE C . 18216 1 43 . 1 1 7 7 ILE CA C 13 64.418 0.105 . 1 . . . A 7 ILE CA . 18216 1 44 . 1 1 7 7 ILE CB C 13 37.541 0.088 . 1 . . . A 7 ILE CB . 18216 1 45 . 1 1 7 7 ILE CG1 C 13 28.674 0.005 . 1 . . . A 7 ILE CG1 . 18216 1 46 . 1 1 7 7 ILE CG2 C 13 18.163 0.071 . 1 . . . A 7 ILE CG2 . 18216 1 47 . 1 1 7 7 ILE CD1 C 13 13.209 0.048 . 1 . . . A 7 ILE CD1 . 18216 1 48 . 1 1 7 7 ILE N N 15 121.024 0.056 . 1 . . . A 7 ILE N . 18216 1 49 . 1 1 8 8 GLU H H 1 8.178 0.006 . 1 . . . A 8 GLU H . 18216 1 50 . 1 1 8 8 GLU HA H 1 3.620 0.018 . 1 . . . A 8 GLU HA . 18216 1 51 . 1 1 8 8 GLU HB3 H 1 2.071 0.004 . 2 . . . A 8 GLU HB3 . 18216 1 52 . 1 1 8 8 GLU HG3 H 1 2.433 0.014 . 2 . . . A 8 GLU HG3 . 18216 1 53 . 1 1 8 8 GLU C C 13 175.403 0.15 . 1 . . . A 8 GLU C . 18216 1 54 . 1 1 8 8 GLU CA C 13 60.226 0.055 . 1 . . . A 8 GLU CA . 18216 1 55 . 1 1 8 8 GLU CB C 13 29.793 0.068 . 1 . . . A 8 GLU CB . 18216 1 56 . 1 1 8 8 GLU CG C 13 36.916 0.15 . 1 . . . A 8 GLU CG . 18216 1 57 . 1 1 8 8 GLU N N 15 119.901 0.061 . 1 . . . A 8 GLU N . 18216 1 58 . 1 1 9 9 GLN H H 1 7.923 0.005 . 1 . . . A 9 GLN H . 18216 1 59 . 1 1 9 9 GLN HA H 1 3.887 0.015 . 1 . . . A 9 GLN HA . 18216 1 60 . 1 1 9 9 GLN HB3 H 1 2.049 0.013 . 2 . . . A 9 GLN HB3 . 18216 1 61 . 1 1 9 9 GLN HG3 H 1 2.440 0.015 . 2 . . . A 9 GLN HG3 . 18216 1 62 . 1 1 9 9 GLN HE21 H 1 7.670 0.006 . 2 . . . A 9 GLN HE21 . 18216 1 63 . 1 1 9 9 GLN HE22 H 1 6.857 0.007 . 2 . . . A 9 GLN HE22 . 18216 1 64 . 1 1 9 9 GLN C C 13 176.383 0.15 . 1 . . . A 9 GLN C . 18216 1 65 . 1 1 9 9 GLN CA C 13 59.031 0.094 . 1 . . . A 9 GLN CA . 18216 1 66 . 1 1 9 9 GLN CB C 13 28.829 0.087 . 1 . . . A 9 GLN CB . 18216 1 67 . 1 1 9 9 GLN CG C 13 33.966 0.103 . 1 . . . A 9 GLN CG . 18216 1 68 . 1 1 9 9 GLN CD C 13 178.124 0.15 . 1 . . . A 9 GLN CD . 18216 1 69 . 1 1 9 9 GLN N N 15 114.019 0.049 . 1 . . . A 9 GLN N . 18216 1 70 . 1 1 9 9 GLN NE2 N 15 112.546 0.029 . 1 . . . A 9 GLN NE2 . 18216 1 71 . 1 1 10 10 LYS H H 1 7.783 0.007 . 1 . . . A 10 LYS H . 18216 1 72 . 1 1 10 10 LYS HA H 1 4.182 0.021 . 1 . . . A 10 LYS HA . 18216 1 73 . 1 1 10 10 LYS HB2 H 1 2.262 0.008 . 2 . . . A 10 LYS HB2 . 18216 1 74 . 1 1 10 10 LYS HB3 H 1 1.899 0.015 . 2 . . . A 10 LYS HB3 . 18216 1 75 . 1 1 10 10 LYS HG3 H 1 1.559 0.014 . 2 . . . A 10 LYS HG3 . 18216 1 76 . 1 1 10 10 LYS HD3 H 1 1.817 0.007 . 2 . . . A 10 LYS HD3 . 18216 1 77 . 1 1 10 10 LYS HE3 H 1 2.836 0.05 . 2 . . . A 10 LYS HE3 . 18216 1 78 . 1 1 10 10 LYS C C 13 176.671 0.15 . 1 . . . A 10 LYS C . 18216 1 79 . 1 1 10 10 LYS CA C 13 58.067 0.042 . 1 . . . A 10 LYS CA . 18216 1 80 . 1 1 10 10 LYS CB C 13 31.522 0.039 . 1 . . . A 10 LYS CB . 18216 1 81 . 1 1 10 10 LYS CG C 13 24.375 0.062 . 1 . . . A 10 LYS CG . 18216 1 82 . 1 1 10 10 LYS CD C 13 27.514 0.15 . 1 . . . A 10 LYS CD . 18216 1 83 . 1 1 10 10 LYS CE C 13 41.474 0.15 . 1 . . . A 10 LYS CE . 18216 1 84 . 1 1 10 10 LYS N N 15 119.999 0.060 . 1 . . . A 10 LYS N . 18216 1 85 . 1 1 11 11 VAL H H 1 8.928 0.011 . 1 . . . A 11 VAL H . 18216 1 86 . 1 1 11 11 VAL HA H 1 3.602 0.008 . 1 . . . A 11 VAL HA . 18216 1 87 . 1 1 11 11 VAL HB H 1 2.049 0.012 . 1 . . . A 11 VAL HB . 18216 1 88 . 1 1 11 11 VAL HG11 H 1 0.979 0.014 . 1 . . . A 11 VAL HG11 . 18216 1 89 . 1 1 11 11 VAL HG12 H 1 0.979 0.014 . 1 . . . A 11 VAL HG12 . 18216 1 90 . 1 1 11 11 VAL HG13 H 1 0.979 0.014 . 1 . . . A 11 VAL HG13 . 18216 1 91 . 1 1 11 11 VAL HG21 H 1 0.873 0.007 . 1 . . . A 11 VAL HG21 . 18216 1 92 . 1 1 11 11 VAL HG22 H 1 0.873 0.007 . 1 . . . A 11 VAL HG22 . 18216 1 93 . 1 1 11 11 VAL HG23 H 1 0.873 0.007 . 1 . . . A 11 VAL HG23 . 18216 1 94 . 1 1 11 11 VAL C C 13 176.092 0.15 . 1 . . . A 11 VAL C . 18216 1 95 . 1 1 11 11 VAL CA C 13 67.715 0.026 . 1 . . . A 11 VAL CA . 18216 1 96 . 1 1 11 11 VAL CB C 13 30.791 0.010 . 1 . . . A 11 VAL CB . 18216 1 97 . 1 1 11 11 VAL CG1 C 13 21.571 0.001 . 2 . . . A 11 VAL CG1 . 18216 1 98 . 1 1 11 11 VAL CG2 C 13 20.830 0.15 . 2 . . . A 11 VAL CG2 . 18216 1 99 . 1 1 11 11 VAL N N 15 119.291 0.027 . 1 . . . A 11 VAL N . 18216 1 100 . 1 1 12 12 ILE H H 1 8.255 0.005 . 1 . . . A 12 ILE H . 18216 1 101 . 1 1 12 12 ILE HA H 1 3.413 0.009 . 1 . . . A 12 ILE HA . 18216 1 102 . 1 1 12 12 ILE HB H 1 1.909 0.031 . 1 . . . A 12 ILE HB . 18216 1 103 . 1 1 12 12 ILE HG13 H 1 1.805 0.002 . 2 . . . A 12 ILE HG13 . 18216 1 104 . 1 1 12 12 ILE HG21 H 1 0.869 0.003 . 1 . . . A 12 ILE HG21 . 18216 1 105 . 1 1 12 12 ILE HG22 H 1 0.869 0.003 . 1 . . . A 12 ILE HG22 . 18216 1 106 . 1 1 12 12 ILE HG23 H 1 0.869 0.003 . 1 . . . A 12 ILE HG23 . 18216 1 107 . 1 1 12 12 ILE HD11 H 1 0.793 0.017 . 1 . . . A 12 ILE HD11 . 18216 1 108 . 1 1 12 12 ILE HD12 H 1 0.793 0.017 . 1 . . . A 12 ILE HD12 . 18216 1 109 . 1 1 12 12 ILE HD13 H 1 0.793 0.017 . 1 . . . A 12 ILE HD13 . 18216 1 110 . 1 1 12 12 ILE C C 13 175.417 0.15 . 1 . . . A 12 ILE C . 18216 1 111 . 1 1 12 12 ILE CA C 13 68.032 0.020 . 1 . . . A 12 ILE CA . 18216 1 112 . 1 1 12 12 ILE CB C 13 37.135 0.012 . 1 . . . A 12 ILE CB . 18216 1 113 . 1 1 12 12 ILE CG1 C 13 30.771 0.002 . 1 . . . A 12 ILE CG1 . 18216 1 114 . 1 1 12 12 ILE CG2 C 13 18.221 0.15 . 1 . . . A 12 ILE CG2 . 18216 1 115 . 1 1 12 12 ILE CD1 C 13 16.121 0.003 . 1 . . . A 12 ILE CD1 . 18216 1 116 . 1 1 12 12 ILE N N 15 119.163 0.032 . 1 . . . A 12 ILE N . 18216 1 117 . 1 1 13 13 GLU H H 1 7.821 0.008 . 1 . . . A 13 GLU H . 18216 1 118 . 1 1 13 13 GLU HA H 1 3.868 0.011 . 1 . . . A 13 GLU HA . 18216 1 119 . 1 1 13 13 GLU HB2 H 1 2.325 0.005 . 2 . . . A 13 GLU HB2 . 18216 1 120 . 1 1 13 13 GLU HB3 H 1 2.215 0.021 . 2 . . . A 13 GLU HB3 . 18216 1 121 . 1 1 13 13 GLU HG2 H 1 2.523 0.009 . 2 . . . A 13 GLU HG2 . 18216 1 122 . 1 1 13 13 GLU HG3 H 1 2.501 0.017 . 2 . . . A 13 GLU HG3 . 18216 1 123 . 1 1 13 13 GLU C C 13 177.514 0.15 . 1 . . . A 13 GLU C . 18216 1 124 . 1 1 13 13 GLU CA C 13 60.145 0.067 . 1 . . . A 13 GLU CA . 18216 1 125 . 1 1 13 13 GLU CB C 13 29.487 0.085 . 1 . . . A 13 GLU CB . 18216 1 126 . 1 1 13 13 GLU CG C 13 37.017 0.037 . 1 . . . A 13 GLU CG . 18216 1 127 . 1 1 13 13 GLU N N 15 118.515 0.033 . 1 . . . A 13 GLU N . 18216 1 128 . 1 1 14 14 MET H H 1 8.610 0.011 . 1 . . . A 14 MET H . 18216 1 129 . 1 1 14 14 MET HA H 1 4.168 0.006 . 1 . . . A 14 MET HA . 18216 1 130 . 1 1 14 14 MET HB2 H 1 2.265 0.009 . 2 . . . A 14 MET HB2 . 18216 1 131 . 1 1 14 14 MET HB3 H 1 2.098 0.002 . 2 . . . A 14 MET HB3 . 18216 1 132 . 1 1 14 14 MET HG2 H 1 2.450 0.013 . 2 . . . A 14 MET HG2 . 18216 1 133 . 1 1 14 14 MET HG3 H 1 2.919 0.011 . 2 . . . A 14 MET HG3 . 18216 1 134 . 1 1 14 14 MET HE1 H 1 1.996 0.004 . 1 . . . A 14 MET HE1 . 18216 1 135 . 1 1 14 14 MET HE2 H 1 1.996 0.004 . 1 . . . A 14 MET HE2 . 18216 1 136 . 1 1 14 14 MET HE3 H 1 1.996 0.004 . 1 . . . A 14 MET HE3 . 18216 1 137 . 1 1 14 14 MET C C 13 176.631 0.15 . 1 . . . A 14 MET C . 18216 1 138 . 1 1 14 14 MET CA C 13 59.409 0.038 . 1 . . . A 14 MET CA . 18216 1 139 . 1 1 14 14 MET CB C 13 33.931 0.067 . 1 . . . A 14 MET CB . 18216 1 140 . 1 1 14 14 MET CG C 13 32.799 0.003 . 1 . . . A 14 MET CG . 18216 1 141 . 1 1 14 14 MET CE C 13 17.289 0.030 . 1 . . . A 14 MET CE . 18216 1 142 . 1 1 14 14 MET N N 15 120.174 0.025 . 1 . . . A 14 MET N . 18216 1 143 . 1 1 15 15 VAL H H 1 8.975 0.013 . 1 . . . A 15 VAL H . 18216 1 144 . 1 1 15 15 VAL HA H 1 3.441 0.012 . 1 . . . A 15 VAL HA . 18216 1 145 . 1 1 15 15 VAL HB H 1 2.308 0.013 . 1 . . . A 15 VAL HB . 18216 1 146 . 1 1 15 15 VAL HG11 H 1 0.873 0.002 . 1 . . . A 15 VAL HG11 . 18216 1 147 . 1 1 15 15 VAL HG12 H 1 0.873 0.002 . 1 . . . A 15 VAL HG12 . 18216 1 148 . 1 1 15 15 VAL HG13 H 1 0.873 0.002 . 1 . . . A 15 VAL HG13 . 18216 1 149 . 1 1 15 15 VAL HG21 H 1 1.191 0.012 . 1 . . . A 15 VAL HG21 . 18216 1 150 . 1 1 15 15 VAL HG22 H 1 1.191 0.012 . 1 . . . A 15 VAL HG22 . 18216 1 151 . 1 1 15 15 VAL HG23 H 1 1.191 0.012 . 1 . . . A 15 VAL HG23 . 18216 1 152 . 1 1 15 15 VAL C C 13 175.086 0.15 . 1 . . . A 15 VAL C . 18216 1 153 . 1 1 15 15 VAL CA C 13 67.096 0.075 . 1 . . . A 15 VAL CA . 18216 1 154 . 1 1 15 15 VAL CB C 13 31.481 0.071 . 1 . . . A 15 VAL CB . 18216 1 155 . 1 1 15 15 VAL CG1 C 13 23.278 0.15 . 2 . . . A 15 VAL CG1 . 18216 1 156 . 1 1 15 15 VAL CG2 C 13 23.940 0.001 . 2 . . . A 15 VAL CG2 . 18216 1 157 . 1 1 15 15 VAL N N 15 120.579 0.037 . 1 . . . A 15 VAL N . 18216 1 158 . 1 1 16 16 ALA H H 1 8.387 0.005 . 1 . . . A 16 ALA H . 18216 1 159 . 1 1 16 16 ALA HA H 1 3.778 0.009 . 1 . . . A 16 ALA HA . 18216 1 160 . 1 1 16 16 ALA HB1 H 1 1.526 0.009 . 1 . . . A 16 ALA HB1 . 18216 1 161 . 1 1 16 16 ALA HB2 H 1 1.526 0.009 . 1 . . . A 16 ALA HB2 . 18216 1 162 . 1 1 16 16 ALA HB3 H 1 1.526 0.009 . 1 . . . A 16 ALA HB3 . 18216 1 163 . 1 1 16 16 ALA C C 13 178.027 0.15 . 1 . . . A 16 ALA C . 18216 1 164 . 1 1 16 16 ALA CA C 13 55.944 0.059 . 1 . . . A 16 ALA CA . 18216 1 165 . 1 1 16 16 ALA CB C 13 18.234 0.082 . 1 . . . A 16 ALA CB . 18216 1 166 . 1 1 16 16 ALA N N 15 121.102 0.042 . 1 . . . A 16 ALA N . 18216 1 167 . 1 1 17 17 GLU H H 1 8.043 0.008 . 1 . . . A 17 GLU H . 18216 1 168 . 1 1 17 17 GLU HA H 1 4.102 0.016 . 1 . . . A 17 GLU HA . 18216 1 169 . 1 1 17 17 GLU HB2 H 1 2.167 0.019 . 2 . . . A 17 GLU HB2 . 18216 1 170 . 1 1 17 17 GLU HG3 H 1 2.404 0.012 . 2 . . . A 17 GLU HG3 . 18216 1 171 . 1 1 17 17 GLU C C 13 177.810 0.15 . 1 . . . A 17 GLU C . 18216 1 172 . 1 1 17 17 GLU CA C 13 59.241 0.076 . 1 . . . A 17 GLU CA . 18216 1 173 . 1 1 17 17 GLU CB C 13 30.175 0.047 . 1 . . . A 17 GLU CB . 18216 1 174 . 1 1 17 17 GLU CG C 13 36.583 0.088 . 1 . . . A 17 GLU CG . 18216 1 175 . 1 1 17 17 GLU N N 15 115.683 0.033 . 1 . . . A 17 GLU N . 18216 1 176 . 1 1 18 18 LYS H H 1 8.669 0.018 . 1 . . . A 18 LYS H . 18216 1 177 . 1 1 18 18 LYS HA H 1 4.186 0.015 . 1 . . . A 18 LYS HA . 18216 1 178 . 1 1 18 18 LYS HB2 H 1 1.784 0.012 . 2 . . . A 18 LYS HB2 . 18216 1 179 . 1 1 18 18 LYS HB3 H 1 1.945 0.023 . 2 . . . A 18 LYS HB3 . 18216 1 180 . 1 1 18 18 LYS HG3 H 1 1.285 0.019 . 2 . . . A 18 LYS HG3 . 18216 1 181 . 1 1 18 18 LYS HD3 H 1 1.734 0.05 . 2 . . . A 18 LYS HD3 . 18216 1 182 . 1 1 18 18 LYS C C 13 175.949 0.15 . 1 . . . A 18 LYS C . 18216 1 183 . 1 1 18 18 LYS CA C 13 57.029 0.021 . 1 . . . A 18 LYS CA . 18216 1 184 . 1 1 18 18 LYS CB C 13 31.479 0.043 . 1 . . . A 18 LYS CB . 18216 1 185 . 1 1 18 18 LYS CG C 13 24.288 0.15 . 1 . . . A 18 LYS CG . 18216 1 186 . 1 1 18 18 LYS CD C 13 27.634 0.15 . 1 . . . A 18 LYS CD . 18216 1 187 . 1 1 18 18 LYS CE C 13 42.364 0.15 . 1 . . . A 18 LYS CE . 18216 1 188 . 1 1 18 18 LYS N N 15 116.582 0.072 . 1 . . . A 18 LYS N . 18216 1 189 . 1 1 19 19 LEU H H 1 8.226 0.004 . 1 . . . A 19 LEU H . 18216 1 190 . 1 1 19 19 LEU HA H 1 4.491 0.014 . 1 . . . A 19 LEU HA . 18216 1 191 . 1 1 19 19 LEU HB2 H 1 1.878 0.05 . 2 . . . A 19 LEU HB2 . 18216 1 192 . 1 1 19 19 LEU HB3 H 1 1.694 0.015 . 2 . . . A 19 LEU HB3 . 18216 1 193 . 1 1 19 19 LEU HG H 1 0.816 0.010 . 1 . . . A 19 LEU HG . 18216 1 194 . 1 1 19 19 LEU HD11 H 1 0.743 0.014 . 1 . . . A 19 LEU HD11 . 18216 1 195 . 1 1 19 19 LEU HD12 H 1 0.743 0.014 . 1 . . . A 19 LEU HD12 . 18216 1 196 . 1 1 19 19 LEU HD13 H 1 0.743 0.014 . 1 . . . A 19 LEU HD13 . 18216 1 197 . 1 1 19 19 LEU HD21 H 1 0.739 0.009 . 1 . . . A 19 LEU HD21 . 18216 1 198 . 1 1 19 19 LEU HD22 H 1 0.739 0.009 . 1 . . . A 19 LEU HD22 . 18216 1 199 . 1 1 19 19 LEU HD23 H 1 0.739 0.009 . 1 . . . A 19 LEU HD23 . 18216 1 200 . 1 1 19 19 LEU C C 13 174.261 0.15 . 1 . . . A 19 LEU C . 18216 1 201 . 1 1 19 19 LEU CA C 13 54.230 0.094 . 1 . . . A 19 LEU CA . 18216 1 202 . 1 1 19 19 LEU CB C 13 40.477 0.059 . 1 . . . A 19 LEU CB . 18216 1 203 . 1 1 19 19 LEU CG C 13 26.862 0.073 . 1 . . . A 19 LEU CG . 18216 1 204 . 1 1 19 19 LEU CD1 C 13 22.610 0.001 . 2 . . . A 19 LEU CD1 . 18216 1 205 . 1 1 19 19 LEU CD2 C 13 23.289 0.101 . 2 . . . A 19 LEU CD2 . 18216 1 206 . 1 1 19 19 LEU N N 15 113.633 0.034 . 1 . . . A 19 LEU N . 18216 1 207 . 1 1 20 20 ASN H H 1 7.616 0.006 . 1 . . . A 20 ASN H . 18216 1 208 . 1 1 20 20 ASN HA H 1 4.416 0.012 . 1 . . . A 20 ASN HA . 18216 1 209 . 1 1 20 20 ASN HB2 H 1 2.698 0.015 . 2 . . . A 20 ASN HB2 . 18216 1 210 . 1 1 20 20 ASN HB3 H 1 3.134 0.010 . 2 . . . A 20 ASN HB3 . 18216 1 211 . 1 1 20 20 ASN HD21 H 1 7.552 0.004 . 2 . . . A 20 ASN HD21 . 18216 1 212 . 1 1 20 20 ASN HD22 H 1 6.819 0.004 . 2 . . . A 20 ASN HD22 . 18216 1 213 . 1 1 20 20 ASN C C 13 172.278 0.15 . 1 . . . A 20 ASN C . 18216 1 214 . 1 1 20 20 ASN CA C 13 54.058 0.087 . 1 . . . A 20 ASN CA . 18216 1 215 . 1 1 20 20 ASN CB C 13 36.788 0.084 . 1 . . . A 20 ASN CB . 18216 1 216 . 1 1 20 20 ASN CG C 13 176.332 0.15 . 1 . . . A 20 ASN CG . 18216 1 217 . 1 1 20 20 ASN N N 15 117.866 0.050 . 1 . . . A 20 ASN N . 18216 1 218 . 1 1 20 20 ASN ND2 N 15 112.448 0.076 . 1 . . . A 20 ASN ND2 . 18216 1 219 . 1 1 21 21 LYS H H 1 8.473 0.004 . 1 . . . A 21 LYS H . 18216 1 220 . 1 1 21 21 LYS HA H 1 4.717 0.010 . 1 . . . A 21 LYS HA . 18216 1 221 . 1 1 21 21 LYS HB2 H 1 1.360 0.014 . 2 . . . A 21 LYS HB2 . 18216 1 222 . 1 1 21 21 LYS HB3 H 1 1.674 0.011 . 2 . . . A 21 LYS HB3 . 18216 1 223 . 1 1 21 21 LYS HG3 H 1 1.331 0.001 . 2 . . . A 21 LYS HG3 . 18216 1 224 . 1 1 21 21 LYS HD2 H 1 1.464 0.05 . 2 . . . A 21 LYS HD2 . 18216 1 225 . 1 1 21 21 LYS HD3 H 1 1.589 0.05 . 2 . . . A 21 LYS HD3 . 18216 1 226 . 1 1 21 21 LYS HE3 H 1 3.070 0.05 . 2 . . . A 21 LYS HE3 . 18216 1 227 . 1 1 21 21 LYS C C 13 173.009 0.15 . 1 . . . A 21 LYS C . 18216 1 228 . 1 1 21 21 LYS CA C 13 52.589 0.074 . 1 . . . A 21 LYS CA . 18216 1 229 . 1 1 21 21 LYS CB C 13 36.114 0.051 . 1 . . . A 21 LYS CB . 18216 1 230 . 1 1 21 21 LYS CG C 13 24.275 0.15 . 1 . . . A 21 LYS CG . 18216 1 231 . 1 1 21 21 LYS CD C 13 28.052 0.15 . 1 . . . A 21 LYS CD . 18216 1 232 . 1 1 21 21 LYS CE C 13 42.497 0.15 . 1 . . . A 21 LYS CE . 18216 1 233 . 1 1 21 21 LYS N N 15 117.035 0.037 . 1 . . . A 21 LYS N . 18216 1 234 . 1 1 22 22 ASP H H 1 8.261 0.011 . 1 . . . A 22 ASP H . 18216 1 235 . 1 1 22 22 ASP HA H 1 4.422 0.006 . 1 . . . A 22 ASP HA . 18216 1 236 . 1 1 22 22 ASP HB3 H 1 2.687 0.020 . 2 . . . A 22 ASP HB3 . 18216 1 237 . 1 1 22 22 ASP C C 13 175.257 0.15 . 1 . . . A 22 ASP C . 18216 1 238 . 1 1 22 22 ASP CA C 13 54.220 0.089 . 1 . . . A 22 ASP CA . 18216 1 239 . 1 1 22 22 ASP CB C 13 41.895 0.015 . 1 . . . A 22 ASP CB . 18216 1 240 . 1 1 22 22 ASP N N 15 120.954 0.050 . 1 . . . A 22 ASP N . 18216 1 241 . 1 1 23 23 LYS H H 1 8.697 0.012 . 1 . . . A 23 LYS H . 18216 1 242 . 1 1 23 23 LYS HA H 1 3.742 0.007 . 1 . . . A 23 LYS HA . 18216 1 243 . 1 1 23 23 LYS HB3 H 1 1.751 0.012 . 2 . . . A 23 LYS HB3 . 18216 1 244 . 1 1 23 23 LYS HG3 H 1 1.407 0.004 . 2 . . . A 23 LYS HG3 . 18216 1 245 . 1 1 23 23 LYS HD3 H 1 1.703 0.010 . 2 . . . A 23 LYS HD3 . 18216 1 246 . 1 1 23 23 LYS HE3 H 1 2.975 0.014 . 2 . . . A 23 LYS HE3 . 18216 1 247 . 1 1 23 23 LYS C C 13 175.599 0.15 . 1 . . . A 23 LYS C . 18216 1 248 . 1 1 23 23 LYS CA C 13 59.607 0.068 . 1 . . . A 23 LYS CA . 18216 1 249 . 1 1 23 23 LYS CB C 13 32.184 0.092 . 1 . . . A 23 LYS CB . 18216 1 250 . 1 1 23 23 LYS CG C 13 24.934 0.034 . 1 . . . A 23 LYS CG . 18216 1 251 . 1 1 23 23 LYS CD C 13 29.477 0.060 . 1 . . . A 23 LYS CD . 18216 1 252 . 1 1 23 23 LYS CE C 13 41.899 0.005 . 1 . . . A 23 LYS CE . 18216 1 253 . 1 1 23 23 LYS N N 15 125.865 0.036 . 1 . . . A 23 LYS N . 18216 1 254 . 1 1 24 24 ALA H H 1 8.509 0.007 . 1 . . . A 24 ALA H . 18216 1 255 . 1 1 24 24 ALA HA H 1 4.110 0.015 . 1 . . . A 24 ALA HA . 18216 1 256 . 1 1 24 24 ALA HB1 H 1 1.375 0.015 . 1 . . . A 24 ALA HB1 . 18216 1 257 . 1 1 24 24 ALA HB2 H 1 1.375 0.015 . 1 . . . A 24 ALA HB2 . 18216 1 258 . 1 1 24 24 ALA HB3 H 1 1.375 0.015 . 1 . . . A 24 ALA HB3 . 18216 1 259 . 1 1 24 24 ALA C C 13 177.449 0.15 . 1 . . . A 24 ALA C . 18216 1 260 . 1 1 24 24 ALA CA C 13 54.192 0.104 . 1 . . . A 24 ALA CA . 18216 1 261 . 1 1 24 24 ALA CB C 13 19.018 0.089 . 1 . . . A 24 ALA CB . 18216 1 262 . 1 1 24 24 ALA N N 15 118.731 0.045 . 1 . . . A 24 ALA N . 18216 1 263 . 1 1 25 25 ILE H H 1 7.562 0.006 . 1 . . . A 25 ILE H . 18216 1 264 . 1 1 25 25 ILE HA H 1 4.406 0.010 . 1 . . . A 25 ILE HA . 18216 1 265 . 1 1 25 25 ILE HB H 1 2.156 0.006 . 1 . . . A 25 ILE HB . 18216 1 266 . 1 1 25 25 ILE HG12 H 1 1.239 0.05 . 2 . . . A 25 ILE HG12 . 18216 1 267 . 1 1 25 25 ILE HG13 H 1 1.532 0.007 . 2 . . . A 25 ILE HG13 . 18216 1 268 . 1 1 25 25 ILE HG21 H 1 0.879 0.018 . 1 . . . A 25 ILE HG21 . 18216 1 269 . 1 1 25 25 ILE HG22 H 1 0.879 0.018 . 1 . . . A 25 ILE HG22 . 18216 1 270 . 1 1 25 25 ILE HG23 H 1 0.879 0.018 . 1 . . . A 25 ILE HG23 . 18216 1 271 . 1 1 25 25 ILE HD11 H 1 0.864 0.002 . 1 . . . A 25 ILE HD11 . 18216 1 272 . 1 1 25 25 ILE HD12 H 1 0.864 0.002 . 1 . . . A 25 ILE HD12 . 18216 1 273 . 1 1 25 25 ILE HD13 H 1 0.864 0.002 . 1 . . . A 25 ILE HD13 . 18216 1 274 . 1 1 25 25 ILE C C 13 173.524 0.15 . 1 . . . A 25 ILE C . 18216 1 275 . 1 1 25 25 ILE CA C 13 60.373 0.074 . 1 . . . A 25 ILE CA . 18216 1 276 . 1 1 25 25 ILE CB C 13 38.423 0.080 . 1 . . . A 25 ILE CB . 18216 1 277 . 1 1 25 25 ILE CG1 C 13 26.787 0.083 . 1 . . . A 25 ILE CG1 . 18216 1 278 . 1 1 25 25 ILE CG2 C 13 18.358 0.058 . 1 . . . A 25 ILE CG2 . 18216 1 279 . 1 1 25 25 ILE CD1 C 13 14.619 0.088 . 1 . . . A 25 ILE CD1 . 18216 1 280 . 1 1 25 25 ILE N N 15 110.020 0.043 . 1 . . . A 25 ILE N . 18216 1 281 . 1 1 26 26 ILE H H 1 7.377 0.005 . 1 . . . A 26 ILE H . 18216 1 282 . 1 1 26 26 ILE HA H 1 3.961 0.007 . 1 . . . A 26 ILE HA . 18216 1 283 . 1 1 26 26 ILE HB H 1 1.916 0.015 . 1 . . . A 26 ILE HB . 18216 1 284 . 1 1 26 26 ILE HG13 H 1 0.880 0.007 . 2 . . . A 26 ILE HG13 . 18216 1 285 . 1 1 26 26 ILE HG21 H 1 0.853 0.011 . 1 . . . A 26 ILE HG21 . 18216 1 286 . 1 1 26 26 ILE HG22 H 1 0.853 0.011 . 1 . . . A 26 ILE HG22 . 18216 1 287 . 1 1 26 26 ILE HG23 H 1 0.853 0.011 . 1 . . . A 26 ILE HG23 . 18216 1 288 . 1 1 26 26 ILE HD11 H 1 0.686 0.008 . 1 . . . A 26 ILE HD11 . 18216 1 289 . 1 1 26 26 ILE HD12 H 1 0.686 0.008 . 1 . . . A 26 ILE HD12 . 18216 1 290 . 1 1 26 26 ILE HD13 H 1 0.686 0.008 . 1 . . . A 26 ILE HD13 . 18216 1 291 . 1 1 26 26 ILE C C 13 172.610 0.15 . 1 . . . A 26 ILE C . 18216 1 292 . 1 1 26 26 ILE CA C 13 61.520 0.089 . 1 . . . A 26 ILE CA . 18216 1 293 . 1 1 26 26 ILE CB C 13 37.367 0.15 . 1 . . . A 26 ILE CB . 18216 1 294 . 1 1 26 26 ILE CG1 C 13 27.201 0.002 . 1 . . . A 26 ILE CG1 . 18216 1 295 . 1 1 26 26 ILE CG2 C 13 19.094 0.047 . 1 . . . A 26 ILE CG2 . 18216 1 296 . 1 1 26 26 ILE CD1 C 13 13.832 0.079 . 1 . . . A 26 ILE CD1 . 18216 1 297 . 1 1 26 26 ILE N N 15 122.932 0.044 . 1 . . . A 26 ILE N . 18216 1 298 . 1 1 27 27 THR H H 1 8.549 0.009 . 1 . . . A 27 THR H . 18216 1 299 . 1 1 27 27 THR HA H 1 4.857 0.013 . 1 . . . A 27 THR HA . 18216 1 300 . 1 1 27 27 THR HB H 1 4.548 0.007 . 1 . . . A 27 THR HB . 18216 1 301 . 1 1 27 27 THR HG21 H 1 1.089 0.002 . 1 . . . A 27 THR HG21 . 18216 1 302 . 1 1 27 27 THR HG22 H 1 1.089 0.002 . 1 . . . A 27 THR HG22 . 18216 1 303 . 1 1 27 27 THR HG23 H 1 1.089 0.002 . 1 . . . A 27 THR HG23 . 18216 1 304 . 1 1 27 27 THR C C 13 174.186 0.15 . 1 . . . A 27 THR C . 18216 1 305 . 1 1 27 27 THR CA C 13 58.917 0.013 . 1 . . . A 27 THR CA . 18216 1 306 . 1 1 27 27 THR CB C 13 72.257 0.075 . 1 . . . A 27 THR CB . 18216 1 307 . 1 1 27 27 THR CG2 C 13 21.145 0.073 . 1 . . . A 27 THR CG2 . 18216 1 308 . 1 1 27 27 THR N N 15 116.747 0.048 . 1 . . . A 27 THR N . 18216 1 309 . 1 1 28 28 THR H H 1 8.817 0.007 . 1 . . . A 28 THR H . 18216 1 310 . 1 1 28 28 THR HA H 1 3.743 0.012 . 1 . . . A 28 THR HA . 18216 1 311 . 1 1 28 28 THR HB H 1 4.206 0.004 . 1 . . . A 28 THR HB . 18216 1 312 . 1 1 28 28 THR HG21 H 1 1.183 0.007 . 1 . . . A 28 THR HG21 . 18216 1 313 . 1 1 28 28 THR HG22 H 1 1.183 0.007 . 1 . . . A 28 THR HG22 . 18216 1 314 . 1 1 28 28 THR HG23 H 1 1.183 0.007 . 1 . . . A 28 THR HG23 . 18216 1 315 . 1 1 28 28 THR C C 13 172.642 0.15 . 1 . . . A 28 THR C . 18216 1 316 . 1 1 28 28 THR CA C 13 65.306 0.060 . 1 . . . A 28 THR CA . 18216 1 317 . 1 1 28 28 THR CB C 13 67.621 0.093 . 1 . . . A 28 THR CB . 18216 1 318 . 1 1 28 28 THR CG2 C 13 22.432 0.002 . 1 . . . A 28 THR CG2 . 18216 1 319 . 1 1 28 28 THR N N 15 110.578 0.032 . 1 . . . A 28 THR N . 18216 1 320 . 1 1 29 29 ASP H H 1 7.777 0.004 . 1 . . . A 29 ASP H . 18216 1 321 . 1 1 29 29 ASP HA H 1 4.719 0.008 . 1 . . . A 29 ASP HA . 18216 1 322 . 1 1 29 29 ASP HB2 H 1 2.389 0.011 . 2 . . . A 29 ASP HB2 . 18216 1 323 . 1 1 29 29 ASP HB3 H 1 2.745 0.009 . 2 . . . A 29 ASP HB3 . 18216 1 324 . 1 1 29 29 ASP C C 13 174.246 0.15 . 1 . . . A 29 ASP C . 18216 1 325 . 1 1 29 29 ASP CA C 13 54.208 0.085 . 1 . . . A 29 ASP CA . 18216 1 326 . 1 1 29 29 ASP CB C 13 41.567 0.043 . 1 . . . A 29 ASP CB . 18216 1 327 . 1 1 29 29 ASP N N 15 117.036 0.050 . 1 . . . A 29 ASP N . 18216 1 328 . 1 1 30 30 SER H H 1 7.619 0.002 . 1 . . . A 30 SER H . 18216 1 329 . 1 1 30 30 SER HA H 1 4.063 0.021 . 1 . . . A 30 SER HA . 18216 1 330 . 1 1 30 30 SER HB2 H 1 3.517 0.014 . 2 . . . A 30 SER HB2 . 18216 1 331 . 1 1 30 30 SER HB3 H 1 3.881 0.003 . 2 . . . A 30 SER HB3 . 18216 1 332 . 1 1 30 30 SER C C 13 171.138 0.15 . 1 . . . A 30 SER C . 18216 1 333 . 1 1 30 30 SER CA C 13 61.581 0.060 . 1 . . . A 30 SER CA . 18216 1 334 . 1 1 30 30 SER CB C 13 63.349 0.111 . 1 . . . A 30 SER CB . 18216 1 335 . 1 1 30 30 SER N N 15 117.171 0.074 . 1 . . . A 30 SER N . 18216 1 336 . 1 1 31 31 ARG H H 1 10.379 0.005 . 1 . . . A 31 ARG H . 18216 1 337 . 1 1 31 31 ARG HA H 1 4.644 0.005 . 1 . . . A 31 ARG HA . 18216 1 338 . 1 1 31 31 ARG HB2 H 1 2.174 0.004 . 2 . . . A 31 ARG HB2 . 18216 1 339 . 1 1 31 31 ARG HB3 H 1 1.857 0.018 . 2 . . . A 31 ARG HB3 . 18216 1 340 . 1 1 31 31 ARG HG3 H 1 1.844 0.010 . 2 . . . A 31 ARG HG3 . 18216 1 341 . 1 1 31 31 ARG C C 13 176.660 0.15 . 1 . . . A 31 ARG C . 18216 1 342 . 1 1 31 31 ARG CA C 13 54.323 0.063 . 1 . . . A 31 ARG CA . 18216 1 343 . 1 1 31 31 ARG CB C 13 30.539 0.060 . 1 . . . A 31 ARG CB . 18216 1 344 . 1 1 31 31 ARG CG C 13 25.810 0.021 . 1 . . . A 31 ARG CG . 18216 1 345 . 1 1 31 31 ARG CD C 13 42.591 0.15 . 1 . . . A 31 ARG CD . 18216 1 346 . 1 1 31 31 ARG N N 15 124.648 0.043 . 1 . . . A 31 ARG N . 18216 1 347 . 1 1 32 32 PHE H H 1 7.833 0.010 . 1 . . . A 32 PHE H . 18216 1 348 . 1 1 32 32 PHE HA H 1 3.964 0.010 . 1 . . . A 32 PHE HA . 18216 1 349 . 1 1 32 32 PHE HB2 H 1 2.997 0.011 . 2 . . . A 32 PHE HB2 . 18216 1 350 . 1 1 32 32 PHE HB3 H 1 3.055 0.05 . 2 . . . A 32 PHE HB3 . 18216 1 351 . 1 1 32 32 PHE HD1 H 1 6.960 0.05 . 3 . . . A 32 PHE HD1 . 18216 1 352 . 1 1 32 32 PHE HD2 H 1 6.960 0.05 . 3 . . . A 32 PHE HD2 . 18216 1 353 . 1 1 32 32 PHE HE1 H 1 6.964 0.05 . 3 . . . A 32 PHE HE1 . 18216 1 354 . 1 1 32 32 PHE HE2 H 1 6.964 0.05 . 3 . . . A 32 PHE HE2 . 18216 1 355 . 1 1 32 32 PHE C C 13 173.376 0.15 . 1 . . . A 32 PHE C . 18216 1 356 . 1 1 32 32 PHE CA C 13 62.578 0.059 . 1 . . . A 32 PHE CA . 18216 1 357 . 1 1 32 32 PHE CB C 13 38.147 0.040 . 1 . . . A 32 PHE CB . 18216 1 358 . 1 1 32 32 PHE N N 15 124.068 0.035 . 1 . . . A 32 PHE N . 18216 1 359 . 1 1 33 33 ILE H H 1 8.696 0.009 . 1 . . . A 33 ILE H . 18216 1 360 . 1 1 33 33 ILE HA H 1 4.044 0.011 . 1 . . . A 33 ILE HA . 18216 1 361 . 1 1 33 33 ILE HB H 1 1.867 0.008 . 1 . . . A 33 ILE HB . 18216 1 362 . 1 1 33 33 ILE HG13 H 1 1.242 0.012 . 2 . . . A 33 ILE HG13 . 18216 1 363 . 1 1 33 33 ILE HG21 H 1 0.817 0.012 . 1 . . . A 33 ILE HG21 . 18216 1 364 . 1 1 33 33 ILE HG22 H 1 0.817 0.012 . 1 . . . A 33 ILE HG22 . 18216 1 365 . 1 1 33 33 ILE HG23 H 1 0.817 0.012 . 1 . . . A 33 ILE HG23 . 18216 1 366 . 1 1 33 33 ILE HD11 H 1 0.887 0.008 . 1 . . . A 33 ILE HD11 . 18216 1 367 . 1 1 33 33 ILE HD12 H 1 0.887 0.008 . 1 . . . A 33 ILE HD12 . 18216 1 368 . 1 1 33 33 ILE HD13 H 1 0.887 0.008 . 1 . . . A 33 ILE HD13 . 18216 1 369 . 1 1 33 33 ILE C C 13 178.005 0.15 . 1 . . . A 33 ILE C . 18216 1 370 . 1 1 33 33 ILE CA C 13 64.293 0.044 . 1 . . . A 33 ILE CA . 18216 1 371 . 1 1 33 33 ILE CB C 13 36.905 0.013 . 1 . . . A 33 ILE CB . 18216 1 372 . 1 1 33 33 ILE CG1 C 13 27.987 0.042 . 1 . . . A 33 ILE CG1 . 18216 1 373 . 1 1 33 33 ILE CG2 C 13 16.492 0.003 . 1 . . . A 33 ILE CG2 . 18216 1 374 . 1 1 33 33 ILE CD1 C 13 12.482 0.090 . 1 . . . A 33 ILE CD1 . 18216 1 375 . 1 1 33 33 ILE N N 15 116.395 0.042 . 1 . . . A 33 ILE N . 18216 1 376 . 1 1 34 34 GLU H H 1 9.408 0.009 . 1 . . . A 34 GLU H . 18216 1 377 . 1 1 34 34 GLU HA H 1 3.859 0.016 . 1 . . . A 34 GLU HA . 18216 1 378 . 1 1 34 34 GLU HB2 H 1 1.859 0.016 . 2 . . . A 34 GLU HB2 . 18216 1 379 . 1 1 34 34 GLU HB3 H 1 1.788 0.05 . 2 . . . A 34 GLU HB3 . 18216 1 380 . 1 1 34 34 GLU HG3 H 1 2.568 0.013 . 2 . . . A 34 GLU HG3 . 18216 1 381 . 1 1 34 34 GLU C C 13 175.723 0.15 . 1 . . . A 34 GLU C . 18216 1 382 . 1 1 34 34 GLU CA C 13 62.485 0.040 . 1 . . . A 34 GLU CA . 18216 1 383 . 1 1 34 34 GLU CB C 13 29.032 0.096 . 1 . . . A 34 GLU CB . 18216 1 384 . 1 1 34 34 GLU CG C 13 38.530 0.035 . 1 . . . A 34 GLU CG . 18216 1 385 . 1 1 34 34 GLU N N 15 117.346 0.039 . 1 . . . A 34 GLU N . 18216 1 386 . 1 1 35 35 ASP H H 1 7.527 0.005 . 1 . . . A 35 ASP H . 18216 1 387 . 1 1 35 35 ASP HA H 1 5.026 0.010 . 1 . . . A 35 ASP HA . 18216 1 388 . 1 1 35 35 ASP HB2 H 1 2.907 0.014 . 2 . . . A 35 ASP HB2 . 18216 1 389 . 1 1 35 35 ASP HB3 H 1 3.104 0.010 . 2 . . . A 35 ASP HB3 . 18216 1 390 . 1 1 35 35 ASP C C 13 175.237 0.15 . 1 . . . A 35 ASP C . 18216 1 391 . 1 1 35 35 ASP CA C 13 55.996 0.063 . 1 . . . A 35 ASP CA . 18216 1 392 . 1 1 35 35 ASP CB C 13 41.508 0.063 . 1 . . . A 35 ASP CB . 18216 1 393 . 1 1 35 35 ASP N N 15 112.053 0.028 . 1 . . . A 35 ASP N . 18216 1 394 . 1 1 36 36 LEU H H 1 7.648 0.005 . 1 . . . A 36 LEU H . 18216 1 395 . 1 1 36 36 LEU HA H 1 4.274 0.009 . 1 . . . A 36 LEU HA . 18216 1 396 . 1 1 36 36 LEU HB2 H 1 2.301 0.013 . 2 . . . A 36 LEU HB2 . 18216 1 397 . 1 1 36 36 LEU HB3 H 1 1.395 0.017 . 2 . . . A 36 LEU HB3 . 18216 1 398 . 1 1 36 36 LEU HG H 1 1.392 0.011 . 1 . . . A 36 LEU HG . 18216 1 399 . 1 1 36 36 LEU HD11 H 1 0.691 0.007 . 1 . . . A 36 LEU HD11 . 18216 1 400 . 1 1 36 36 LEU HD12 H 1 0.691 0.007 . 1 . . . A 36 LEU HD12 . 18216 1 401 . 1 1 36 36 LEU HD13 H 1 0.691 0.007 . 1 . . . A 36 LEU HD13 . 18216 1 402 . 1 1 36 36 LEU HD21 H 1 0.626 0.010 . 1 . . . A 36 LEU HD21 . 18216 1 403 . 1 1 36 36 LEU HD22 H 1 0.626 0.010 . 1 . . . A 36 LEU HD22 . 18216 1 404 . 1 1 36 36 LEU HD23 H 1 0.626 0.010 . 1 . . . A 36 LEU HD23 . 18216 1 405 . 1 1 36 36 LEU C C 13 172.955 0.15 . 1 . . . A 36 LEU C . 18216 1 406 . 1 1 36 36 LEU CA C 13 54.739 0.022 . 1 . . . A 36 LEU CA . 18216 1 407 . 1 1 36 36 LEU CB C 13 40.891 0.097 . 1 . . . A 36 LEU CB . 18216 1 408 . 1 1 36 36 LEU CG C 13 26.430 0.15 . 1 . . . A 36 LEU CG . 18216 1 409 . 1 1 36 36 LEU CD1 C 13 22.340 0.15 . 2 . . . A 36 LEU CD1 . 18216 1 410 . 1 1 36 36 LEU CD2 C 13 23.069 0.15 . 2 . . . A 36 LEU CD2 . 18216 1 411 . 1 1 36 36 LEU N N 15 115.898 0.036 . 1 . . . A 36 LEU N . 18216 1 412 . 1 1 37 37 LYS H H 1 7.247 0.009 . 1 . . . A 37 LYS H . 18216 1 413 . 1 1 37 37 LYS HA H 1 4.207 0.007 . 1 . . . A 37 LYS HA . 18216 1 414 . 1 1 37 37 LYS HB3 H 1 1.916 0.024 . 2 . . . A 37 LYS HB3 . 18216 1 415 . 1 1 37 37 LYS HG3 H 1 1.278 0.010 . 2 . . . A 37 LYS HG3 . 18216 1 416 . 1 1 37 37 LYS HD3 H 1 1.627 0.05 . 2 . . . A 37 LYS HD3 . 18216 1 417 . 1 1 37 37 LYS HE3 H 1 3.018 0.05 . 2 . . . A 37 LYS HE3 . 18216 1 418 . 1 1 37 37 LYS C C 13 174.539 0.15 . 1 . . . A 37 LYS C . 18216 1 419 . 1 1 37 37 LYS CA C 13 55.942 0.034 . 1 . . . A 37 LYS CA . 18216 1 420 . 1 1 37 37 LYS CB C 13 28.513 0.070 . 1 . . . A 37 LYS CB . 18216 1 421 . 1 1 37 37 LYS CG C 13 24.519 0.028 . 1 . . . A 37 LYS CG . 18216 1 422 . 1 1 37 37 LYS CE C 13 42.582 0.15 . 1 . . . A 37 LYS CE . 18216 1 423 . 1 1 37 37 LYS N N 15 114.307 0.042 . 1 . . . A 37 LYS N . 18216 1 424 . 1 1 38 38 ALA H H 1 8.442 0.005 . 1 . . . A 38 ALA H . 18216 1 425 . 1 1 38 38 ALA HA H 1 4.392 0.019 . 1 . . . A 38 ALA HA . 18216 1 426 . 1 1 38 38 ALA HB1 H 1 1.260 0.011 . 1 . . . A 38 ALA HB1 . 18216 1 427 . 1 1 38 38 ALA HB2 H 1 1.260 0.011 . 1 . . . A 38 ALA HB2 . 18216 1 428 . 1 1 38 38 ALA HB3 H 1 1.260 0.011 . 1 . . . A 38 ALA HB3 . 18216 1 429 . 1 1 38 38 ALA C C 13 175.605 0.15 . 1 . . . A 38 ALA C . 18216 1 430 . 1 1 38 38 ALA CA C 13 52.008 0.051 . 1 . . . A 38 ALA CA . 18216 1 431 . 1 1 38 38 ALA CB C 13 20.568 0.087 . 1 . . . A 38 ALA CB . 18216 1 432 . 1 1 38 38 ALA N N 15 121.453 0.038 . 1 . . . A 38 ALA N . 18216 1 433 . 1 1 39 39 ASP H H 1 9.038 0.006 . 1 . . . A 39 ASP H . 18216 1 434 . 1 1 39 39 ASP HA H 1 4.782 0.011 . 1 . . . A 39 ASP HA . 18216 1 435 . 1 1 39 39 ASP HB2 H 1 2.884 0.014 . 2 . . . A 39 ASP HB2 . 18216 1 436 . 1 1 39 39 ASP HB3 H 1 2.754 0.008 . 2 . . . A 39 ASP HB3 . 18216 1 437 . 1 1 39 39 ASP C C 13 175.798 0.15 . 1 . . . A 39 ASP C . 18216 1 438 . 1 1 39 39 ASP CA C 13 52.823 0.063 . 1 . . . A 39 ASP CA . 18216 1 439 . 1 1 39 39 ASP CB C 13 42.613 0.053 . 1 . . . A 39 ASP CB . 18216 1 440 . 1 1 39 39 ASP N N 15 123.391 0.039 . 1 . . . A 39 ASP N . 18216 1 441 . 1 1 40 40 SER H H 1 8.936 0.005 . 1 . . . A 40 SER H . 18216 1 442 . 1 1 40 40 SER HA H 1 4.226 0.002 . 1 . . . A 40 SER HA . 18216 1 443 . 1 1 40 40 SER HB3 H 1 4.148 0.014 . 2 . . . A 40 SER HB3 . 18216 1 444 . 1 1 40 40 SER C C 13 174.197 0.15 . 1 . . . A 40 SER C . 18216 1 445 . 1 1 40 40 SER CA C 13 60.234 0.092 . 1 . . . A 40 SER CA . 18216 1 446 . 1 1 40 40 SER CB C 13 65.619 0.045 . 1 . . . A 40 SER CB . 18216 1 447 . 1 1 40 40 SER N N 15 116.961 0.053 . 1 . . . A 40 SER N . 18216 1 448 . 1 1 41 41 LEU H H 1 8.279 0.005 . 1 . . . A 41 LEU H . 18216 1 449 . 1 1 41 41 LEU HA H 1 4.187 0.025 . 1 . . . A 41 LEU HA . 18216 1 450 . 1 1 41 41 LEU HB3 H 1 1.705 0.018 . 2 . . . A 41 LEU HB3 . 18216 1 451 . 1 1 41 41 LEU HG H 1 1.680 0.007 . 1 . . . A 41 LEU HG . 18216 1 452 . 1 1 41 41 LEU HD21 H 1 0.869 0.008 . 1 . . . A 41 LEU HD21 . 18216 1 453 . 1 1 41 41 LEU HD22 H 1 0.869 0.008 . 1 . . . A 41 LEU HD22 . 18216 1 454 . 1 1 41 41 LEU HD23 H 1 0.869 0.008 . 1 . . . A 41 LEU HD23 . 18216 1 455 . 1 1 41 41 LEU C C 13 175.316 0.15 . 1 . . . A 41 LEU C . 18216 1 456 . 1 1 41 41 LEU CA C 13 57.873 0.063 . 1 . . . A 41 LEU CA . 18216 1 457 . 1 1 41 41 LEU CB C 13 41.085 0.038 . 1 . . . A 41 LEU CB . 18216 1 458 . 1 1 41 41 LEU CG C 13 26.802 0.005 . 1 . . . A 41 LEU CG . 18216 1 459 . 1 1 41 41 LEU CD1 C 13 21.683 0.15 . 2 . . . A 41 LEU CD1 . 18216 1 460 . 1 1 41 41 LEU CD2 C 13 23.612 0.003 . 2 . . . A 41 LEU CD2 . 18216 1 461 . 1 1 41 41 LEU N N 15 124.152 0.055 . 1 . . . A 41 LEU N . 18216 1 462 . 1 1 42 42 ASP H H 1 8.002 0.005 . 1 . . . A 42 ASP H . 18216 1 463 . 1 1 42 42 ASP HA H 1 4.415 0.008 . 1 . . . A 42 ASP HA . 18216 1 464 . 1 1 42 42 ASP HB2 H 1 2.621 0.024 . 2 . . . A 42 ASP HB2 . 18216 1 465 . 1 1 42 42 ASP HB3 H 1 2.887 0.010 . 2 . . . A 42 ASP HB3 . 18216 1 466 . 1 1 42 42 ASP C C 13 176.858 0.15 . 1 . . . A 42 ASP C . 18216 1 467 . 1 1 42 42 ASP CA C 13 57.144 0.15 . 1 . . . A 42 ASP CA . 18216 1 468 . 1 1 42 42 ASP CB C 13 40.895 0.052 . 1 . . . A 42 ASP CB . 18216 1 469 . 1 1 42 42 ASP N N 15 120.193 0.069 . 1 . . . A 42 ASP N . 18216 1 470 . 1 1 43 43 THR H H 1 7.939 0.006 . 1 . . . A 43 THR H . 18216 1 471 . 1 1 43 43 THR HA H 1 3.554 0.015 . 1 . . . A 43 THR HA . 18216 1 472 . 1 1 43 43 THR HB H 1 4.080 0.013 . 1 . . . A 43 THR HB . 18216 1 473 . 1 1 43 43 THR HG21 H 1 0.847 0.024 . 1 . . . A 43 THR HG21 . 18216 1 474 . 1 1 43 43 THR HG22 H 1 0.847 0.024 . 1 . . . A 43 THR HG22 . 18216 1 475 . 1 1 43 43 THR HG23 H 1 0.847 0.024 . 1 . . . A 43 THR HG23 . 18216 1 476 . 1 1 43 43 THR CA C 13 66.658 0.063 . 1 . . . A 43 THR CA . 18216 1 477 . 1 1 43 43 THR CB C 13 68.423 0.003 . 1 . . . A 43 THR CB . 18216 1 478 . 1 1 43 43 THR CG2 C 13 21.895 0.15 . 1 . . . A 43 THR CG2 . 18216 1 479 . 1 1 43 43 THR N N 15 112.919 0.069 . 1 . . . A 43 THR N . 18216 1 480 . 1 1 44 44 VAL HA H 1 3.645 0.013 . 1 . . . A 44 VAL HA . 18216 1 481 . 1 1 44 44 VAL HB H 1 2.203 0.022 . 1 . . . A 44 VAL HB . 18216 1 482 . 1 1 44 44 VAL HG11 H 1 0.959 0.002 . 1 . . . A 44 VAL HG11 . 18216 1 483 . 1 1 44 44 VAL HG12 H 1 0.959 0.002 . 1 . . . A 44 VAL HG12 . 18216 1 484 . 1 1 44 44 VAL HG13 H 1 0.959 0.002 . 1 . . . A 44 VAL HG13 . 18216 1 485 . 1 1 44 44 VAL HG21 H 1 1.015 0.011 . 1 . . . A 44 VAL HG21 . 18216 1 486 . 1 1 44 44 VAL HG22 H 1 1.015 0.011 . 1 . . . A 44 VAL HG22 . 18216 1 487 . 1 1 44 44 VAL HG23 H 1 1.015 0.011 . 1 . . . A 44 VAL HG23 . 18216 1 488 . 1 1 44 44 VAL C C 13 176.576 0.15 . 1 . . . A 44 VAL C . 18216 1 489 . 1 1 44 44 VAL CA C 13 66.873 0.055 . 1 . . . A 44 VAL CA . 18216 1 490 . 1 1 44 44 VAL CB C 13 31.658 0.055 . 1 . . . A 44 VAL CB . 18216 1 491 . 1 1 44 44 VAL CG1 C 13 19.489 0.15 . 2 . . . A 44 VAL CG1 . 18216 1 492 . 1 1 44 44 VAL CG2 C 13 20.940 0.002 . 2 . . . A 44 VAL CG2 . 18216 1 493 . 1 1 45 45 GLU H H 1 7.867 0.003 . 1 . . . A 45 GLU H . 18216 1 494 . 1 1 45 45 GLU HA H 1 4.060 0.012 . 1 . . . A 45 GLU HA . 18216 1 495 . 1 1 45 45 GLU HB3 H 1 2.133 0.013 . 2 . . . A 45 GLU HB3 . 18216 1 496 . 1 1 45 45 GLU HG2 H 1 2.203 0.014 . 2 . . . A 45 GLU HG2 . 18216 1 497 . 1 1 45 45 GLU HG3 H 1 2.319 0.05 . 2 . . . A 45 GLU HG3 . 18216 1 498 . 1 1 45 45 GLU C C 13 178.332 0.15 . 1 . . . A 45 GLU C . 18216 1 499 . 1 1 45 45 GLU CA C 13 59.618 0.033 . 1 . . . A 45 GLU CA . 18216 1 500 . 1 1 45 45 GLU CB C 13 29.229 0.081 . 1 . . . A 45 GLU CB . 18216 1 501 . 1 1 45 45 GLU CG C 13 36.515 0.060 . 1 . . . A 45 GLU CG . 18216 1 502 . 1 1 45 45 GLU N N 15 119.120 0.078 . 1 . . . A 45 GLU N . 18216 1 503 . 1 1 46 46 LEU H H 1 8.200 0.004 . 1 . . . A 46 LEU H . 18216 1 504 . 1 1 46 46 LEU HA H 1 3.997 0.008 . 1 . . . A 46 LEU HA . 18216 1 505 . 1 1 46 46 LEU HB2 H 1 2.048 0.020 . 2 . . . A 46 LEU HB2 . 18216 1 506 . 1 1 46 46 LEU HB3 H 1 2.015 0.002 . 2 . . . A 46 LEU HB3 . 18216 1 507 . 1 1 46 46 LEU HG H 1 1.349 0.05 . 1 . . . A 46 LEU HG . 18216 1 508 . 1 1 46 46 LEU HD21 H 1 0.844 0.05 . 1 . . . A 46 LEU HD21 . 18216 1 509 . 1 1 46 46 LEU HD22 H 1 0.844 0.05 . 1 . . . A 46 LEU HD22 . 18216 1 510 . 1 1 46 46 LEU HD23 H 1 0.844 0.05 . 1 . . . A 46 LEU HD23 . 18216 1 511 . 1 1 46 46 LEU C C 13 175.472 0.15 . 1 . . . A 46 LEU C . 18216 1 512 . 1 1 46 46 LEU CA C 13 58.391 0.052 . 1 . . . A 46 LEU CA . 18216 1 513 . 1 1 46 46 LEU CB C 13 41.312 0.082 . 1 . . . A 46 LEU CB . 18216 1 514 . 1 1 46 46 LEU CG C 13 26.297 0.15 . 1 . . . A 46 LEU CG . 18216 1 515 . 1 1 46 46 LEU CD1 C 13 22.591 0.15 . 2 . . . A 46 LEU CD1 . 18216 1 516 . 1 1 46 46 LEU CD2 C 13 23.202 0.005 . 2 . . . A 46 LEU CD2 . 18216 1 517 . 1 1 46 46 LEU N N 15 121.527 0.061 . 1 . . . A 46 LEU N . 18216 1 518 . 1 1 47 47 MET H H 1 8.330 0.004 . 1 . . . A 47 MET H . 18216 1 519 . 1 1 47 47 MET HA H 1 4.141 0.012 . 1 . . . A 47 MET HA . 18216 1 520 . 1 1 47 47 MET HB2 H 1 1.800 0.022 . 2 . . . A 47 MET HB2 . 18216 1 521 . 1 1 47 47 MET HB3 H 1 1.900 0.016 . 2 . . . A 47 MET HB3 . 18216 1 522 . 1 1 47 47 MET HG2 H 1 2.646 0.05 . 2 . . . A 47 MET HG2 . 18216 1 523 . 1 1 47 47 MET HG3 H 1 2.288 0.005 . 2 . . . A 47 MET HG3 . 18216 1 524 . 1 1 47 47 MET HE1 H 1 2.059 0.010 . 1 . . . A 47 MET HE1 . 18216 1 525 . 1 1 47 47 MET HE2 H 1 2.059 0.010 . 1 . . . A 47 MET HE2 . 18216 1 526 . 1 1 47 47 MET HE3 H 1 2.059 0.010 . 1 . . . A 47 MET HE3 . 18216 1 527 . 1 1 47 47 MET C C 13 177.030 0.15 . 1 . . . A 47 MET C . 18216 1 528 . 1 1 47 47 MET CA C 13 57.924 0.022 . 1 . . . A 47 MET CA . 18216 1 529 . 1 1 47 47 MET CB C 13 31.672 0.032 . 1 . . . A 47 MET CB . 18216 1 530 . 1 1 47 47 MET CG C 13 30.293 0.013 . 1 . . . A 47 MET CG . 18216 1 531 . 1 1 47 47 MET CE C 13 16.885 0.049 . 1 . . . A 47 MET CE . 18216 1 532 . 1 1 47 47 MET N N 15 117.675 0.041 . 1 . . . A 47 MET N . 18216 1 533 . 1 1 48 48 MET H H 1 8.148 0.008 . 1 . . . A 48 MET H . 18216 1 534 . 1 1 48 48 MET HA H 1 4.343 0.007 . 1 . . . A 48 MET HA . 18216 1 535 . 1 1 48 48 MET HB3 H 1 2.154 0.005 . 2 . . . A 48 MET HB3 . 18216 1 536 . 1 1 48 48 MET HG2 H 1 2.559 0.009 . 2 . . . A 48 MET HG2 . 18216 1 537 . 1 1 48 48 MET HG3 H 1 2.711 0.05 . 2 . . . A 48 MET HG3 . 18216 1 538 . 1 1 48 48 MET HE1 H 1 2.086 0.002 . 1 . . . A 48 MET HE1 . 18216 1 539 . 1 1 48 48 MET HE2 H 1 2.086 0.002 . 1 . . . A 48 MET HE2 . 18216 1 540 . 1 1 48 48 MET HE3 H 1 2.086 0.002 . 1 . . . A 48 MET HE3 . 18216 1 541 . 1 1 48 48 MET C C 13 176.562 0.15 . 1 . . . A 48 MET C . 18216 1 542 . 1 1 48 48 MET CA C 13 58.942 0.090 . 1 . . . A 48 MET CA . 18216 1 543 . 1 1 48 48 MET CB C 13 32.951 0.070 . 1 . . . A 48 MET CB . 18216 1 544 . 1 1 48 48 MET CG C 13 31.811 0.003 . 1 . . . A 48 MET CG . 18216 1 545 . 1 1 48 48 MET CE C 13 16.837 0.088 . 1 . . . A 48 MET CE . 18216 1 546 . 1 1 48 48 MET N N 15 117.614 0.049 . 1 . . . A 48 MET N . 18216 1 547 . 1 1 49 49 ALA H H 1 7.890 0.004 . 1 . . . A 49 ALA H . 18216 1 548 . 1 1 49 49 ALA HA H 1 4.220 0.012 . 1 . . . A 49 ALA HA . 18216 1 549 . 1 1 49 49 ALA HB1 H 1 1.586 0.011 . 1 . . . A 49 ALA HB1 . 18216 1 550 . 1 1 49 49 ALA HB2 H 1 1.586 0.011 . 1 . . . A 49 ALA HB2 . 18216 1 551 . 1 1 49 49 ALA HB3 H 1 1.586 0.011 . 1 . . . A 49 ALA HB3 . 18216 1 552 . 1 1 49 49 ALA C C 13 179.111 0.15 . 1 . . . A 49 ALA C . 18216 1 553 . 1 1 49 49 ALA CA C 13 54.902 0.064 . 1 . . . A 49 ALA CA . 18216 1 554 . 1 1 49 49 ALA CB C 13 17.956 0.066 . 1 . . . A 49 ALA CB . 18216 1 555 . 1 1 49 49 ALA N N 15 121.729 0.048 . 1 . . . A 49 ALA N . 18216 1 556 . 1 1 50 50 ILE H H 1 8.428 0.006 . 1 . . . A 50 ILE H . 18216 1 557 . 1 1 50 50 ILE HA H 1 3.716 0.010 . 1 . . . A 50 ILE HA . 18216 1 558 . 1 1 50 50 ILE HB H 1 2.276 0.008 . 1 . . . A 50 ILE HB . 18216 1 559 . 1 1 50 50 ILE HG12 H 1 1.391 0.009 . 2 . . . A 50 ILE HG12 . 18216 1 560 . 1 1 50 50 ILE HG13 H 1 1.270 0.008 . 2 . . . A 50 ILE HG13 . 18216 1 561 . 1 1 50 50 ILE HG21 H 1 0.929 0.008 . 1 . . . A 50 ILE HG21 . 18216 1 562 . 1 1 50 50 ILE HG22 H 1 0.929 0.008 . 1 . . . A 50 ILE HG22 . 18216 1 563 . 1 1 50 50 ILE HG23 H 1 0.929 0.008 . 1 . . . A 50 ILE HG23 . 18216 1 564 . 1 1 50 50 ILE HD11 H 1 0.871 0.004 . 1 . . . A 50 ILE HD11 . 18216 1 565 . 1 1 50 50 ILE HD12 H 1 0.871 0.004 . 1 . . . A 50 ILE HD12 . 18216 1 566 . 1 1 50 50 ILE HD13 H 1 0.871 0.004 . 1 . . . A 50 ILE HD13 . 18216 1 567 . 1 1 50 50 ILE C C 13 175.507 0.15 . 1 . . . A 50 ILE C . 18216 1 568 . 1 1 50 50 ILE CA C 13 64.908 0.062 . 1 . . . A 50 ILE CA . 18216 1 569 . 1 1 50 50 ILE CB C 13 36.664 0.065 . 1 . . . A 50 ILE CB . 18216 1 570 . 1 1 50 50 ILE CG1 C 13 28.888 0.092 . 1 . . . A 50 ILE CG1 . 18216 1 571 . 1 1 50 50 ILE CG2 C 13 18.173 0.064 . 1 . . . A 50 ILE CG2 . 18216 1 572 . 1 1 50 50 ILE CD1 C 13 13.165 0.097 . 1 . . . A 50 ILE CD1 . 18216 1 573 . 1 1 50 50 ILE N N 15 122.294 0.088 . 1 . . . A 50 ILE N . 18216 1 574 . 1 1 51 51 GLU H H 1 8.281 0.008 . 1 . . . A 51 GLU H . 18216 1 575 . 1 1 51 51 GLU HA H 1 4.059 0.014 . 1 . . . A 51 GLU HA . 18216 1 576 . 1 1 51 51 GLU HB2 H 1 2.175 0.004 . 2 . . . A 51 GLU HB2 . 18216 1 577 . 1 1 51 51 GLU HB3 H 1 2.500 0.016 . 2 . . . A 51 GLU HB3 . 18216 1 578 . 1 1 51 51 GLU HG3 H 1 2.559 0.05 . 2 . . . A 51 GLU HG3 . 18216 1 579 . 1 1 51 51 GLU C C 13 178.398 0.15 . 1 . . . A 51 GLU C . 18216 1 580 . 1 1 51 51 GLU CA C 13 60.419 0.050 . 1 . . . A 51 GLU CA . 18216 1 581 . 1 1 51 51 GLU CB C 13 30.212 0.050 . 1 . . . A 51 GLU CB . 18216 1 582 . 1 1 51 51 GLU CG C 13 37.421 0.15 . 1 . . . A 51 GLU CG . 18216 1 583 . 1 1 51 51 GLU N N 15 120.060 0.089 . 1 . . . A 51 GLU N . 18216 1 584 . 1 1 52 52 VAL H H 1 7.714 0.011 . 1 . . . A 52 VAL H . 18216 1 585 . 1 1 52 52 VAL HA H 1 3.725 0.012 . 1 . . . A 52 VAL HA . 18216 1 586 . 1 1 52 52 VAL HB H 1 2.096 0.009 . 1 . . . A 52 VAL HB . 18216 1 587 . 1 1 52 52 VAL HG11 H 1 1.128 0.009 . 1 . . . A 52 VAL HG11 . 18216 1 588 . 1 1 52 52 VAL HG12 H 1 1.128 0.009 . 1 . . . A 52 VAL HG12 . 18216 1 589 . 1 1 52 52 VAL HG13 H 1 1.128 0.009 . 1 . . . A 52 VAL HG13 . 18216 1 590 . 1 1 52 52 VAL HG21 H 1 0.953 0.017 . 1 . . . A 52 VAL HG21 . 18216 1 591 . 1 1 52 52 VAL HG22 H 1 0.953 0.017 . 1 . . . A 52 VAL HG22 . 18216 1 592 . 1 1 52 52 VAL HG23 H 1 0.953 0.017 . 1 . . . A 52 VAL HG23 . 18216 1 593 . 1 1 52 52 VAL C C 13 176.701 0.15 . 1 . . . A 52 VAL C . 18216 1 594 . 1 1 52 52 VAL CA C 13 65.682 0.033 . 1 . . . A 52 VAL CA . 18216 1 595 . 1 1 52 52 VAL CB C 13 32.278 0.089 . 1 . . . A 52 VAL CB . 18216 1 596 . 1 1 52 52 VAL CG1 C 13 22.281 0.15 . 2 . . . A 52 VAL CG1 . 18216 1 597 . 1 1 52 52 VAL CG2 C 13 21.215 0.062 . 2 . . . A 52 VAL CG2 . 18216 1 598 . 1 1 52 52 VAL N N 15 117.342 0.038 . 1 . . . A 52 VAL N . 18216 1 599 . 1 1 53 53 GLU H H 1 8.191 0.007 . 1 . . . A 53 GLU H . 18216 1 600 . 1 1 53 53 GLU HA H 1 3.876 0.013 . 1 . . . A 53 GLU HA . 18216 1 601 . 1 1 53 53 GLU HB2 H 1 2.015 0.018 . 2 . . . A 53 GLU HB2 . 18216 1 602 . 1 1 53 53 GLU HB3 H 1 1.604 0.007 . 2 . . . A 53 GLU HB3 . 18216 1 603 . 1 1 53 53 GLU HG3 H 1 2.423 0.024 . 2 . . . A 53 GLU HG3 . 18216 1 604 . 1 1 53 53 GLU C C 13 175.734 0.15 . 1 . . . A 53 GLU C . 18216 1 605 . 1 1 53 53 GLU CA C 13 58.823 0.031 . 1 . . . A 53 GLU CA . 18216 1 606 . 1 1 53 53 GLU CB C 13 29.817 0.061 . 1 . . . A 53 GLU CB . 18216 1 607 . 1 1 53 53 GLU CG C 13 34.830 0.15 . 1 . . . A 53 GLU CG . 18216 1 608 . 1 1 53 53 GLU N N 15 120.657 0.054 . 1 . . . A 53 GLU N . 18216 1 609 . 1 1 54 54 TYR H H 1 8.106 0.005 . 1 . . . A 54 TYR H . 18216 1 610 . 1 1 54 54 TYR HA H 1 4.483 0.015 . 1 . . . A 54 TYR HA . 18216 1 611 . 1 1 54 54 TYR HB2 H 1 3.204 0.006 . 2 . . . A 54 TYR HB2 . 18216 1 612 . 1 1 54 54 TYR HB3 H 1 2.592 0.014 . 2 . . . A 54 TYR HB3 . 18216 1 613 . 1 1 54 54 TYR HD1 H 1 7.249 0.05 . 3 . . . A 54 TYR HD1 . 18216 1 614 . 1 1 54 54 TYR HD2 H 1 7.249 0.05 . 3 . . . A 54 TYR HD2 . 18216 1 615 . 1 1 54 54 TYR HE1 H 1 6.648 0.05 . 3 . . . A 54 TYR HE1 . 18216 1 616 . 1 1 54 54 TYR HE2 H 1 6.648 0.05 . 3 . . . A 54 TYR HE2 . 18216 1 617 . 1 1 54 54 TYR C C 13 174.031 0.15 . 1 . . . A 54 TYR C . 18216 1 618 . 1 1 54 54 TYR CA C 13 59.478 0.096 . 1 . . . A 54 TYR CA . 18216 1 619 . 1 1 54 54 TYR CB C 13 39.373 0.066 . 1 . . . A 54 TYR CB . 18216 1 620 . 1 1 54 54 TYR N N 15 111.170 0.047 . 1 . . . A 54 TYR N . 18216 1 621 . 1 1 55 55 GLY H H 1 8.047 0.002 . 1 . . . A 55 GLY H . 18216 1 622 . 1 1 55 55 GLY HA2 H 1 4.003 0.012 . 2 . . . A 55 GLY HA2 . 18216 1 623 . 1 1 55 55 GLY HA3 H 1 3.918 0.025 . 2 . . . A 55 GLY HA3 . 18216 1 624 . 1 1 55 55 GLY C C 13 172.863 0.15 . 1 . . . A 55 GLY C . 18216 1 625 . 1 1 55 55 GLY CA C 13 47.593 0.023 . 1 . . . A 55 GLY CA . 18216 1 626 . 1 1 55 55 GLY N N 15 112.483 0.045 . 1 . . . A 55 GLY N . 18216 1 627 . 1 1 56 56 ILE H H 1 7.491 0.009 . 1 . . . A 56 ILE H . 18216 1 628 . 1 1 56 56 ILE HA H 1 4.692 0.007 . 1 . . . A 56 ILE HA . 18216 1 629 . 1 1 56 56 ILE HB H 1 1.830 0.003 . 1 . . . A 56 ILE HB . 18216 1 630 . 1 1 56 56 ILE HG13 H 1 1.366 0.004 . 2 . . . A 56 ILE HG13 . 18216 1 631 . 1 1 56 56 ILE HG21 H 1 0.937 0.014 . 1 . . . A 56 ILE HG21 . 18216 1 632 . 1 1 56 56 ILE HG22 H 1 0.937 0.014 . 1 . . . A 56 ILE HG22 . 18216 1 633 . 1 1 56 56 ILE HG23 H 1 0.937 0.014 . 1 . . . A 56 ILE HG23 . 18216 1 634 . 1 1 56 56 ILE HD11 H 1 0.820 0.007 . 1 . . . A 56 ILE HD11 . 18216 1 635 . 1 1 56 56 ILE HD12 H 1 0.820 0.007 . 1 . . . A 56 ILE HD12 . 18216 1 636 . 1 1 56 56 ILE HD13 H 1 0.820 0.007 . 1 . . . A 56 ILE HD13 . 18216 1 637 . 1 1 56 56 ILE C C 13 171.179 0.15 . 1 . . . A 56 ILE C . 18216 1 638 . 1 1 56 56 ILE CA C 13 58.776 0.114 . 1 . . . A 56 ILE CA . 18216 1 639 . 1 1 56 56 ILE CB C 13 42.063 0.059 . 1 . . . A 56 ILE CB . 18216 1 640 . 1 1 56 56 ILE CG1 C 13 25.299 0.001 . 1 . . . A 56 ILE CG1 . 18216 1 641 . 1 1 56 56 ILE CG2 C 13 17.798 0.054 . 1 . . . A 56 ILE CG2 . 18216 1 642 . 1 1 56 56 ILE CD1 C 13 14.759 0.050 . 1 . . . A 56 ILE CD1 . 18216 1 643 . 1 1 56 56 ILE N N 15 112.002 0.016 . 1 . . . A 56 ILE N . 18216 1 644 . 1 1 57 57 ASP H H 1 8.314 0.009 . 1 . . . A 57 ASP H . 18216 1 645 . 1 1 57 57 ASP HA H 1 4.940 0.010 . 1 . . . A 57 ASP HA . 18216 1 646 . 1 1 57 57 ASP HB2 H 1 2.545 0.016 . 2 . . . A 57 ASP HB2 . 18216 1 647 . 1 1 57 57 ASP HB3 H 1 2.474 0.002 . 2 . . . A 57 ASP HB3 . 18216 1 648 . 1 1 57 57 ASP C C 13 174.016 0.15 . 1 . . . A 57 ASP C . 18216 1 649 . 1 1 57 57 ASP CA C 13 52.946 0.083 . 1 . . . A 57 ASP CA . 18216 1 650 . 1 1 57 57 ASP CB C 13 43.115 0.063 . 1 . . . A 57 ASP CB . 18216 1 651 . 1 1 57 57 ASP N N 15 119.662 0.069 . 1 . . . A 57 ASP N . 18216 1 652 . 1 1 58 58 ILE H H 1 9.901 0.019 . 1 . . . A 58 ILE H . 18216 1 653 . 1 1 58 58 ILE HA H 1 4.360 0.015 . 1 . . . A 58 ILE HA . 18216 1 654 . 1 1 58 58 ILE HB H 1 1.694 0.007 . 1 . . . A 58 ILE HB . 18216 1 655 . 1 1 58 58 ILE HG13 H 1 1.441 0.010 . 2 . . . A 58 ILE HG13 . 18216 1 656 . 1 1 58 58 ILE HG21 H 1 0.435 0.012 . 1 . . . A 58 ILE HG21 . 18216 1 657 . 1 1 58 58 ILE HG22 H 1 0.435 0.012 . 1 . . . A 58 ILE HG22 . 18216 1 658 . 1 1 58 58 ILE HG23 H 1 0.435 0.012 . 1 . . . A 58 ILE HG23 . 18216 1 659 . 1 1 58 58 ILE HD11 H 1 0.676 0.010 . 1 . . . A 58 ILE HD11 . 18216 1 660 . 1 1 58 58 ILE HD12 H 1 0.676 0.010 . 1 . . . A 58 ILE HD12 . 18216 1 661 . 1 1 58 58 ILE HD13 H 1 0.676 0.010 . 1 . . . A 58 ILE HD13 . 18216 1 662 . 1 1 58 58 ILE C C 13 170.591 0.15 . 1 . . . A 58 ILE C . 18216 1 663 . 1 1 58 58 ILE CA C 13 59.354 0.061 . 1 . . . A 58 ILE CA . 18216 1 664 . 1 1 58 58 ILE CB C 13 37.984 0.078 . 1 . . . A 58 ILE CB . 18216 1 665 . 1 1 58 58 ILE CG1 C 13 27.208 0.072 . 1 . . . A 58 ILE CG1 . 18216 1 666 . 1 1 58 58 ILE CG2 C 13 17.039 0.065 . 1 . . . A 58 ILE CG2 . 18216 1 667 . 1 1 58 58 ILE CD1 C 13 12.972 0.078 . 1 . . . A 58 ILE CD1 . 18216 1 668 . 1 1 58 58 ILE N N 15 125.903 0.036 . 1 . . . A 58 ILE N . 18216 1 669 . 1 1 59 59 PRO HA H 1 4.536 0.012 . 1 . . . A 59 PRO HA . 18216 1 670 . 1 1 59 59 PRO HB2 H 1 2.447 0.008 . 2 . . . A 59 PRO HB2 . 18216 1 671 . 1 1 59 59 PRO HB3 H 1 2.052 0.001 . 2 . . . A 59 PRO HB3 . 18216 1 672 . 1 1 59 59 PRO HG2 H 1 2.022 0.009 . 2 . . . A 59 PRO HG2 . 18216 1 673 . 1 1 59 59 PRO HD2 H 1 3.586 0.021 . 2 . . . A 59 PRO HD2 . 18216 1 674 . 1 1 59 59 PRO HD3 H 1 3.678 0.05 . 2 . . . A 59 PRO HD3 . 18216 1 675 . 1 1 59 59 PRO C C 13 175.502 0.15 . 1 . . . A 59 PRO C . 18216 1 676 . 1 1 59 59 PRO CA C 13 62.523 0.069 . 1 . . . A 59 PRO CA . 18216 1 677 . 1 1 59 59 PRO CB C 13 32.790 0.055 . 1 . . . A 59 PRO CB . 18216 1 678 . 1 1 59 59 PRO CG C 13 27.775 0.085 . 1 . . . A 59 PRO CG . 18216 1 679 . 1 1 59 59 PRO CD C 13 50.401 0.003 . 1 . . . A 59 PRO CD . 18216 1 680 . 1 1 60 60 ASP H H 1 8.880 0.009 . 1 . . . A 60 ASP H . 18216 1 681 . 1 1 60 60 ASP HA H 1 4.233 0.004 . 1 . . . A 60 ASP HA . 18216 1 682 . 1 1 60 60 ASP HB3 H 1 2.630 0.006 . 2 . . . A 60 ASP HB3 . 18216 1 683 . 1 1 60 60 ASP C C 13 175.742 0.15 . 1 . . . A 60 ASP C . 18216 1 684 . 1 1 60 60 ASP CA C 13 57.966 0.073 . 1 . . . A 60 ASP CA . 18216 1 685 . 1 1 60 60 ASP CB C 13 40.410 0.017 . 1 . . . A 60 ASP CB . 18216 1 686 . 1 1 60 60 ASP N N 15 122.930 0.057 . 1 . . . A 60 ASP N . 18216 1 687 . 1 1 61 61 ASP H H 1 8.736 0.010 . 1 . . . A 61 ASP H . 18216 1 688 . 1 1 61 61 ASP HA H 1 4.342 0.009 . 1 . . . A 61 ASP HA . 18216 1 689 . 1 1 61 61 ASP HB3 H 1 2.626 0.006 . 2 . . . A 61 ASP HB3 . 18216 1 690 . 1 1 61 61 ASP C C 13 176.158 0.15 . 1 . . . A 61 ASP C . 18216 1 691 . 1 1 61 61 ASP CA C 13 56.199 0.052 . 1 . . . A 61 ASP CA . 18216 1 692 . 1 1 61 61 ASP CB C 13 39.990 0.15 . 1 . . . A 61 ASP CB . 18216 1 693 . 1 1 61 61 ASP N N 15 115.336 0.035 . 1 . . . A 61 ASP N . 18216 1 694 . 1 1 62 62 GLU H H 1 7.419 0.008 . 1 . . . A 62 GLU H . 18216 1 695 . 1 1 62 62 GLU HA H 1 4.237 0.010 . 1 . . . A 62 GLU HA . 18216 1 696 . 1 1 62 62 GLU HB2 H 1 1.781 0.012 . 2 . . . A 62 GLU HB2 . 18216 1 697 . 1 1 62 62 GLU HB3 H 1 1.985 0.013 . 2 . . . A 62 GLU HB3 . 18216 1 698 . 1 1 62 62 GLU HG2 H 1 2.245 0.018 . 2 . . . A 62 GLU HG2 . 18216 1 699 . 1 1 62 62 GLU HG3 H 1 2.465 0.001 . 2 . . . A 62 GLU HG3 . 18216 1 700 . 1 1 62 62 GLU C C 13 177.114 0.15 . 1 . . . A 62 GLU C . 18216 1 701 . 1 1 62 62 GLU CA C 13 57.354 0.104 . 1 . . . A 62 GLU CA . 18216 1 702 . 1 1 62 62 GLU CB C 13 29.151 0.085 . 1 . . . A 62 GLU CB . 18216 1 703 . 1 1 62 62 GLU CG C 13 35.560 0.15 . 1 . . . A 62 GLU CG . 18216 1 704 . 1 1 62 62 GLU N N 15 118.044 0.064 . 1 . . . A 62 GLU N . 18216 1 705 . 1 1 63 63 ALA H H 1 8.338 0.005 . 1 . . . A 63 ALA H . 18216 1 706 . 1 1 63 63 ALA HA H 1 3.708 0.012 . 1 . . . A 63 ALA HA . 18216 1 707 . 1 1 63 63 ALA HB1 H 1 1.368 0.011 . 1 . . . A 63 ALA HB1 . 18216 1 708 . 1 1 63 63 ALA HB2 H 1 1.368 0.011 . 1 . . . A 63 ALA HB2 . 18216 1 709 . 1 1 63 63 ALA HB3 H 1 1.368 0.011 . 1 . . . A 63 ALA HB3 . 18216 1 710 . 1 1 63 63 ALA C C 13 177.936 0.15 . 1 . . . A 63 ALA C . 18216 1 711 . 1 1 63 63 ALA CA C 13 55.400 0.071 . 1 . . . A 63 ALA CA . 18216 1 712 . 1 1 63 63 ALA CB C 13 18.245 0.064 . 1 . . . A 63 ALA CB . 18216 1 713 . 1 1 63 63 ALA N N 15 123.014 0.047 . 1 . . . A 63 ALA N . 18216 1 714 . 1 1 64 64 THR H H 1 7.534 0.008 . 1 . . . A 64 THR H . 18216 1 715 . 1 1 64 64 THR HA H 1 4.038 0.05 . 1 . . . A 64 THR HA . 18216 1 716 . 1 1 64 64 THR HB H 1 4.189 0.024 . 1 . . . A 64 THR HB . 18216 1 717 . 1 1 64 64 THR HG21 H 1 1.263 0.008 . 1 . . . A 64 THR HG21 . 18216 1 718 . 1 1 64 64 THR HG22 H 1 1.263 0.008 . 1 . . . A 64 THR HG22 . 18216 1 719 . 1 1 64 64 THR HG23 H 1 1.263 0.008 . 1 . . . A 64 THR HG23 . 18216 1 720 . 1 1 64 64 THR C C 13 173.058 0.15 . 1 . . . A 64 THR C . 18216 1 721 . 1 1 64 64 THR CA C 13 64.120 0.015 . 1 . . . A 64 THR CA . 18216 1 722 . 1 1 64 64 THR CB C 13 69.241 0.055 . 1 . . . A 64 THR CB . 18216 1 723 . 1 1 64 64 THR CG2 C 13 22.060 0.001 . 1 . . . A 64 THR CG2 . 18216 1 724 . 1 1 64 64 THR N N 15 107.396 0.081 . 1 . . . A 64 THR N . 18216 1 725 . 1 1 65 65 LYS H H 1 7.201 0.010 . 1 . . . A 65 LYS H . 18216 1 726 . 1 1 65 65 LYS HA H 1 4.233 0.006 . 1 . . . A 65 LYS HA . 18216 1 727 . 1 1 65 65 LYS HB2 H 1 1.994 0.004 . 2 . . . A 65 LYS HB2 . 18216 1 728 . 1 1 65 65 LYS HB3 H 1 1.935 0.017 . 2 . . . A 65 LYS HB3 . 18216 1 729 . 1 1 65 65 LYS HG3 H 1 1.484 0.012 . 2 . . . A 65 LYS HG3 . 18216 1 730 . 1 1 65 65 LYS HD3 H 1 1.753 0.020 . 2 . . . A 65 LYS HD3 . 18216 1 731 . 1 1 65 65 LYS HE3 H 1 2.991 0.05 . 2 . . . A 65 LYS HE3 . 18216 1 732 . 1 1 65 65 LYS C C 13 174.655 0.15 . 1 . . . A 65 LYS C . 18216 1 733 . 1 1 65 65 LYS CA C 13 56.591 0.029 . 1 . . . A 65 LYS CA . 18216 1 734 . 1 1 65 65 LYS CB C 13 33.090 0.037 . 1 . . . A 65 LYS CB . 18216 1 735 . 1 1 65 65 LYS CG C 13 24.936 0.031 . 1 . . . A 65 LYS CG . 18216 1 736 . 1 1 65 65 LYS CD C 13 29.096 0.15 . 1 . . . A 65 LYS CD . 18216 1 737 . 1 1 65 65 LYS CE C 13 42.198 0.023 . 1 . . . A 65 LYS CE . 18216 1 738 . 1 1 65 65 LYS N N 15 118.248 0.055 . 1 . . . A 65 LYS N . 18216 1 739 . 1 1 66 66 ILE H H 1 7.323 0.010 . 1 . . . A 66 ILE H . 18216 1 740 . 1 1 66 66 ILE HA H 1 3.872 0.009 . 1 . . . A 66 ILE HA . 18216 1 741 . 1 1 66 66 ILE HB H 1 1.992 0.010 . 1 . . . A 66 ILE HB . 18216 1 742 . 1 1 66 66 ILE HG12 H 1 1.657 0.002 . 2 . . . A 66 ILE HG12 . 18216 1 743 . 1 1 66 66 ILE HG21 H 1 0.893 0.009 . 1 . . . A 66 ILE HG21 . 18216 1 744 . 1 1 66 66 ILE HG22 H 1 0.893 0.009 . 1 . . . A 66 ILE HG22 . 18216 1 745 . 1 1 66 66 ILE HG23 H 1 0.893 0.009 . 1 . . . A 66 ILE HG23 . 18216 1 746 . 1 1 66 66 ILE HD11 H 1 0.872 0.05 . 1 . . . A 66 ILE HD11 . 18216 1 747 . 1 1 66 66 ILE HD12 H 1 0.872 0.05 . 1 . . . A 66 ILE HD12 . 18216 1 748 . 1 1 66 66 ILE HD13 H 1 0.872 0.05 . 1 . . . A 66 ILE HD13 . 18216 1 749 . 1 1 66 66 ILE C C 13 172.490 0.15 . 1 . . . A 66 ILE C . 18216 1 750 . 1 1 66 66 ILE CA C 13 62.250 0.083 . 1 . . . A 66 ILE CA . 18216 1 751 . 1 1 66 66 ILE CB C 13 37.132 0.080 . 1 . . . A 66 ILE CB . 18216 1 752 . 1 1 66 66 ILE CG1 C 13 27.563 0.003 . 1 . . . A 66 ILE CG1 . 18216 1 753 . 1 1 66 66 ILE CG2 C 13 18.878 0.065 . 1 . . . A 66 ILE CG2 . 18216 1 754 . 1 1 66 66 ILE CD1 C 13 18.407 0.009 . 1 . . . A 66 ILE CD1 . 18216 1 755 . 1 1 66 66 ILE N N 15 121.918 0.047 . 1 . . . A 66 ILE N . 18216 1 756 . 1 1 67 67 LYS H H 1 9.625 0.004 . 1 . . . A 67 LYS H . 18216 1 757 . 1 1 67 67 LYS HA H 1 4.787 0.009 . 1 . . . A 67 LYS HA . 18216 1 758 . 1 1 67 67 LYS HB2 H 1 2.021 0.013 . 2 . . . A 67 LYS HB2 . 18216 1 759 . 1 1 67 67 LYS HB3 H 1 1.944 0.001 . 2 . . . A 67 LYS HB3 . 18216 1 760 . 1 1 67 67 LYS HG3 H 1 1.492 0.05 . 2 . . . A 67 LYS HG3 . 18216 1 761 . 1 1 67 67 LYS HD3 H 1 1.745 0.015 . 2 . . . A 67 LYS HD3 . 18216 1 762 . 1 1 67 67 LYS HE3 H 1 3.033 0.05 . 2 . . . A 67 LYS HE3 . 18216 1 763 . 1 1 67 67 LYS C C 13 176.156 0.15 . 1 . . . A 67 LYS C . 18216 1 764 . 1 1 67 67 LYS CA C 13 56.078 0.096 . 1 . . . A 67 LYS CA . 18216 1 765 . 1 1 67 67 LYS CB C 13 35.435 0.062 . 1 . . . A 67 LYS CB . 18216 1 766 . 1 1 67 67 LYS CG C 13 24.611 0.15 . 1 . . . A 67 LYS CG . 18216 1 767 . 1 1 67 67 LYS CD C 13 28.158 0.079 . 1 . . . A 67 LYS CD . 18216 1 768 . 1 1 67 67 LYS CE C 13 42.529 0.15 . 1 . . . A 67 LYS CE . 18216 1 769 . 1 1 67 67 LYS N N 15 126.438 0.045 . 1 . . . A 67 LYS N . 18216 1 770 . 1 1 68 68 THR H H 1 8.308 0.009 . 1 . . . A 68 THR H . 18216 1 771 . 1 1 68 68 THR HA H 1 5.041 0.019 . 1 . . . A 68 THR HA . 18216 1 772 . 1 1 68 68 THR HB H 1 4.215 0.019 . 1 . . . A 68 THR HB . 18216 1 773 . 1 1 68 68 THR HG21 H 1 1.118 0.05 . 1 . . . A 68 THR HG21 . 18216 1 774 . 1 1 68 68 THR HG22 H 1 1.118 0.05 . 1 . . . A 68 THR HG22 . 18216 1 775 . 1 1 68 68 THR HG23 H 1 1.118 0.05 . 1 . . . A 68 THR HG23 . 18216 1 776 . 1 1 68 68 THR C C 13 173.425 0.15 . 1 . . . A 68 THR C . 18216 1 777 . 1 1 68 68 THR CA C 13 58.436 0.061 . 1 . . . A 68 THR CA . 18216 1 778 . 1 1 68 68 THR CB C 13 73.683 0.061 . 1 . . . A 68 THR CB . 18216 1 779 . 1 1 68 68 THR CG2 C 13 22.353 0.065 . 1 . . . A 68 THR CG2 . 18216 1 780 . 1 1 68 68 THR N N 15 111.201 0.040 . 1 . . . A 68 THR N . 18216 1 781 . 1 1 69 69 VAL H H 1 7.685 0.010 . 1 . . . A 69 VAL H . 18216 1 782 . 1 1 69 69 VAL HA H 1 3.456 0.016 . 1 . . . A 69 VAL HA . 18216 1 783 . 1 1 69 69 VAL HB H 1 2.270 0.005 . 1 . . . A 69 VAL HB . 18216 1 784 . 1 1 69 69 VAL HG11 H 1 0.788 0.004 . 1 . . . A 69 VAL HG11 . 18216 1 785 . 1 1 69 69 VAL HG12 H 1 0.788 0.004 . 1 . . . A 69 VAL HG12 . 18216 1 786 . 1 1 69 69 VAL HG13 H 1 0.788 0.004 . 1 . . . A 69 VAL HG13 . 18216 1 787 . 1 1 69 69 VAL HG21 H 1 0.824 0.008 . 1 . . . A 69 VAL HG21 . 18216 1 788 . 1 1 69 69 VAL HG22 H 1 0.824 0.008 . 1 . . . A 69 VAL HG22 . 18216 1 789 . 1 1 69 69 VAL HG23 H 1 0.824 0.008 . 1 . . . A 69 VAL HG23 . 18216 1 790 . 1 1 69 69 VAL C C 13 176.481 0.15 . 1 . . . A 69 VAL C . 18216 1 791 . 1 1 69 69 VAL CA C 13 67.506 0.060 . 1 . . . A 69 VAL CA . 18216 1 792 . 1 1 69 69 VAL CB C 13 31.255 0.048 . 1 . . . A 69 VAL CB . 18216 1 793 . 1 1 69 69 VAL CG1 C 13 21.111 0.003 . 2 . . . A 69 VAL CG1 . 18216 1 794 . 1 1 69 69 VAL CG2 C 13 22.110 0.001 . 2 . . . A 69 VAL CG2 . 18216 1 795 . 1 1 69 69 VAL N N 15 120.740 0.078 . 1 . . . A 69 VAL N . 18216 1 796 . 1 1 70 70 SER H H 1 8.866 0.008 . 1 . . . A 70 SER H . 18216 1 797 . 1 1 70 70 SER HA H 1 4.094 0.002 . 1 . . . A 70 SER HA . 18216 1 798 . 1 1 70 70 SER HB3 H 1 3.983 0.004 . 2 . . . A 70 SER HB3 . 18216 1 799 . 1 1 70 70 SER C C 13 174.461 0.15 . 1 . . . A 70 SER C . 18216 1 800 . 1 1 70 70 SER CA C 13 61.222 0.084 . 1 . . . A 70 SER CA . 18216 1 801 . 1 1 70 70 SER CB C 13 62.761 0.029 . 1 . . . A 70 SER CB . 18216 1 802 . 1 1 70 70 SER N N 15 114.441 0.033 . 1 . . . A 70 SER N . 18216 1 803 . 1 1 71 71 ASP H H 1 8.094 0.006 . 1 . . . A 71 ASP H . 18216 1 804 . 1 1 71 71 ASP HA H 1 4.434 0.009 . 1 . . . A 71 ASP HA . 18216 1 805 . 1 1 71 71 ASP HB2 H 1 2.790 0.014 . 2 . . . A 71 ASP HB2 . 18216 1 806 . 1 1 71 71 ASP HB3 H 1 3.343 0.017 . 2 . . . A 71 ASP HB3 . 18216 1 807 . 1 1 71 71 ASP C C 13 177.272 0.15 . 1 . . . A 71 ASP C . 18216 1 808 . 1 1 71 71 ASP CA C 13 57.801 0.055 . 1 . . . A 71 ASP CA . 18216 1 809 . 1 1 71 71 ASP CB C 13 41.976 0.059 . 1 . . . A 71 ASP CB . 18216 1 810 . 1 1 71 71 ASP N N 15 121.065 0.053 . 1 . . . A 71 ASP N . 18216 1 811 . 1 1 72 72 VAL H H 1 7.714 0.004 . 1 . . . A 72 VAL H . 18216 1 812 . 1 1 72 72 VAL HA H 1 3.706 0.026 . 1 . . . A 72 VAL HA . 18216 1 813 . 1 1 72 72 VAL HB H 1 1.892 0.002 . 1 . . . A 72 VAL HB . 18216 1 814 . 1 1 72 72 VAL HG11 H 1 1.119 0.003 . 1 . . . A 72 VAL HG11 . 18216 1 815 . 1 1 72 72 VAL HG12 H 1 1.119 0.003 . 1 . . . A 72 VAL HG12 . 18216 1 816 . 1 1 72 72 VAL HG13 H 1 1.119 0.003 . 1 . . . A 72 VAL HG13 . 18216 1 817 . 1 1 72 72 VAL HG21 H 1 1.038 0.006 . 1 . . . A 72 VAL HG21 . 18216 1 818 . 1 1 72 72 VAL HG22 H 1 1.038 0.006 . 1 . . . A 72 VAL HG22 . 18216 1 819 . 1 1 72 72 VAL HG23 H 1 1.038 0.006 . 1 . . . A 72 VAL HG23 . 18216 1 820 . 1 1 72 72 VAL C C 13 174.409 0.15 . 1 . . . A 72 VAL C . 18216 1 821 . 1 1 72 72 VAL CA C 13 66.232 0.047 . 1 . . . A 72 VAL CA . 18216 1 822 . 1 1 72 72 VAL CB C 13 31.733 0.052 . 1 . . . A 72 VAL CB . 18216 1 823 . 1 1 72 72 VAL CG1 C 13 23.310 0.15 . 2 . . . A 72 VAL CG1 . 18216 1 824 . 1 1 72 72 VAL CG2 C 13 22.784 0.078 . 2 . . . A 72 VAL CG2 . 18216 1 825 . 1 1 72 72 VAL N N 15 120.351 0.034 . 1 . . . A 72 VAL N . 18216 1 826 . 1 1 73 73 ILE H H 1 7.710 0.004 . 1 . . . A 73 ILE H . 18216 1 827 . 1 1 73 73 ILE HA H 1 3.365 0.014 . 1 . . . A 73 ILE HA . 18216 1 828 . 1 1 73 73 ILE HB H 1 1.927 0.013 . 1 . . . A 73 ILE HB . 18216 1 829 . 1 1 73 73 ILE HG13 H 1 1.832 0.008 . 2 . . . A 73 ILE HG13 . 18216 1 830 . 1 1 73 73 ILE HG21 H 1 0.877 0.005 . 1 . . . A 73 ILE HG21 . 18216 1 831 . 1 1 73 73 ILE HG22 H 1 0.877 0.005 . 1 . . . A 73 ILE HG22 . 18216 1 832 . 1 1 73 73 ILE HG23 H 1 0.877 0.005 . 1 . . . A 73 ILE HG23 . 18216 1 833 . 1 1 73 73 ILE HD11 H 1 0.904 0.015 . 1 . . . A 73 ILE HD11 . 18216 1 834 . 1 1 73 73 ILE HD12 H 1 0.904 0.015 . 1 . . . A 73 ILE HD12 . 18216 1 835 . 1 1 73 73 ILE HD13 H 1 0.904 0.015 . 1 . . . A 73 ILE HD13 . 18216 1 836 . 1 1 73 73 ILE C C 13 175.111 0.15 . 1 . . . A 73 ILE C . 18216 1 837 . 1 1 73 73 ILE CA C 13 66.114 0.070 . 1 . . . A 73 ILE CA . 18216 1 838 . 1 1 73 73 ILE CB C 13 38.264 0.065 . 1 . . . A 73 ILE CB . 18216 1 839 . 1 1 73 73 ILE CG1 C 13 29.981 0.062 . 1 . . . A 73 ILE CG1 . 18216 1 840 . 1 1 73 73 ILE CG2 C 13 17.134 0.011 . 1 . . . A 73 ILE CG2 . 18216 1 841 . 1 1 73 73 ILE CD1 C 13 16.221 0.002 . 1 . . . A 73 ILE CD1 . 18216 1 842 . 1 1 73 73 ILE N N 15 120.114 0.075 . 1 . . . A 73 ILE N . 18216 1 843 . 1 1 74 74 LYS H H 1 8.422 0.005 . 1 . . . A 74 LYS H . 18216 1 844 . 1 1 74 74 LYS HA H 1 3.863 0.011 . 1 . . . A 74 LYS HA . 18216 1 845 . 1 1 74 74 LYS HB2 H 1 1.976 0.05 . 2 . . . A 74 LYS HB2 . 18216 1 846 . 1 1 74 74 LYS HB3 H 1 1.881 0.012 . 2 . . . A 74 LYS HB3 . 18216 1 847 . 1 1 74 74 LYS HG2 H 1 1.458 0.005 . 2 . . . A 74 LYS HG2 . 18216 1 848 . 1 1 74 74 LYS HD3 H 1 1.714 0.05 . 2 . . . A 74 LYS HD3 . 18216 1 849 . 1 1 74 74 LYS HE3 H 1 3.001 0.05 . 2 . . . A 74 LYS HE3 . 18216 1 850 . 1 1 74 74 LYS C C 13 175.814 0.15 . 1 . . . A 74 LYS C . 18216 1 851 . 1 1 74 74 LYS CA C 13 59.868 0.053 . 1 . . . A 74 LYS CA . 18216 1 852 . 1 1 74 74 LYS CB C 13 32.727 0.055 . 1 . . . A 74 LYS CB . 18216 1 853 . 1 1 74 74 LYS CG C 13 24.760 0.15 . 1 . . . A 74 LYS CG . 18216 1 854 . 1 1 74 74 LYS CD C 13 29.460 0.15 . 1 . . . A 74 LYS CD . 18216 1 855 . 1 1 74 74 LYS CE C 13 41.822 0.082 . 1 . . . A 74 LYS CE . 18216 1 856 . 1 1 74 74 LYS N N 15 118.158 0.034 . 1 . . . A 74 LYS N . 18216 1 857 . 1 1 75 75 TYR H H 1 7.701 0.003 . 1 . . . A 75 TYR H . 18216 1 858 . 1 1 75 75 TYR HA H 1 3.959 0.016 . 1 . . . A 75 TYR HA . 18216 1 859 . 1 1 75 75 TYR HB2 H 1 2.981 0.05 . 2 . . . A 75 TYR HB2 . 18216 1 860 . 1 1 75 75 TYR HB3 H 1 3.118 0.013 . 2 . . . A 75 TYR HB3 . 18216 1 861 . 1 1 75 75 TYR HD1 H 1 6.859 0.05 . 3 . . . A 75 TYR HD1 . 18216 1 862 . 1 1 75 75 TYR HD2 H 1 6.859 0.05 . 3 . . . A 75 TYR HD2 . 18216 1 863 . 1 1 75 75 TYR HE1 H 1 6.675 0.05 . 3 . . . A 75 TYR HE1 . 18216 1 864 . 1 1 75 75 TYR HE2 H 1 6.675 0.05 . 3 . . . A 75 TYR HE2 . 18216 1 865 . 1 1 75 75 TYR C C 13 176.122 0.15 . 1 . . . A 75 TYR C . 18216 1 866 . 1 1 75 75 TYR CA C 13 62.025 0.027 . 1 . . . A 75 TYR CA . 18216 1 867 . 1 1 75 75 TYR CB C 13 38.891 0.033 . 1 . . . A 75 TYR CB . 18216 1 868 . 1 1 75 75 TYR N N 15 119.834 0.022 . 1 . . . A 75 TYR N . 18216 1 869 . 1 1 76 76 ILE H H 1 8.032 0.008 . 1 . . . A 76 ILE H . 18216 1 870 . 1 1 76 76 ILE HA H 1 3.255 0.013 . 1 . . . A 76 ILE HA . 18216 1 871 . 1 1 76 76 ILE HB H 1 1.574 0.010 . 1 . . . A 76 ILE HB . 18216 1 872 . 1 1 76 76 ILE HG13 H 1 0.475 0.006 . 2 . . . A 76 ILE HG13 . 18216 1 873 . 1 1 76 76 ILE HG21 H 1 0.169 0.008 . 1 . . . A 76 ILE HG21 . 18216 1 874 . 1 1 76 76 ILE HG22 H 1 0.169 0.008 . 1 . . . A 76 ILE HG22 . 18216 1 875 . 1 1 76 76 ILE HG23 H 1 0.169 0.008 . 1 . . . A 76 ILE HG23 . 18216 1 876 . 1 1 76 76 ILE HD11 H 1 0.353 0.008 . 1 . . . A 76 ILE HD11 . 18216 1 877 . 1 1 76 76 ILE HD12 H 1 0.353 0.008 . 1 . . . A 76 ILE HD12 . 18216 1 878 . 1 1 76 76 ILE HD13 H 1 0.353 0.008 . 1 . . . A 76 ILE HD13 . 18216 1 879 . 1 1 76 76 ILE C C 13 176.730 0.15 . 1 . . . A 76 ILE C . 18216 1 880 . 1 1 76 76 ILE CA C 13 65.383 0.078 . 1 . . . A 76 ILE CA . 18216 1 881 . 1 1 76 76 ILE CB C 13 38.797 0.103 . 1 . . . A 76 ILE CB . 18216 1 882 . 1 1 76 76 ILE CG1 C 13 28.383 0.054 . 1 . . . A 76 ILE CG1 . 18216 1 883 . 1 1 76 76 ILE CG2 C 13 16.932 0.048 . 1 . . . A 76 ILE CG2 . 18216 1 884 . 1 1 76 76 ILE CD1 C 13 16.044 0.075 . 1 . . . A 76 ILE CD1 . 18216 1 885 . 1 1 76 76 ILE N N 15 117.609 0.058 . 1 . . . A 76 ILE N . 18216 1 886 . 1 1 77 77 LYS H H 1 8.353 0.004 . 1 . . . A 77 LYS H . 18216 1 887 . 1 1 77 77 LYS HA H 1 3.804 0.009 . 1 . . . A 77 LYS HA . 18216 1 888 . 1 1 77 77 LYS HB2 H 1 1.824 0.005 . 2 . . . A 77 LYS HB2 . 18216 1 889 . 1 1 77 77 LYS HB3 H 1 1.854 0.019 . 2 . . . A 77 LYS HB3 . 18216 1 890 . 1 1 77 77 LYS HG3 H 1 1.335 0.002 . 2 . . . A 77 LYS HG3 . 18216 1 891 . 1 1 77 77 LYS HD3 H 1 1.663 0.05 . 2 . . . A 77 LYS HD3 . 18216 1 892 . 1 1 77 77 LYS C C 13 177.793 0.15 . 1 . . . A 77 LYS C . 18216 1 893 . 1 1 77 77 LYS CA C 13 60.288 0.070 . 1 . . . A 77 LYS CA . 18216 1 894 . 1 1 77 77 LYS CB C 13 32.504 0.047 . 1 . . . A 77 LYS CB . 18216 1 895 . 1 1 77 77 LYS CG C 13 26.961 0.002 . 1 . . . A 77 LYS CG . 18216 1 896 . 1 1 77 77 LYS CD C 13 30.385 0.15 . 1 . . . A 77 LYS CD . 18216 1 897 . 1 1 77 77 LYS CE C 13 42.029 0.15 . 1 . . . A 77 LYS CE . 18216 1 898 . 1 1 77 77 LYS N N 15 117.750 0.066 . 1 . . . A 77 LYS N . 18216 1 899 . 1 1 78 78 GLU H H 1 8.057 0.006 . 1 . . . A 78 GLU H . 18216 1 900 . 1 1 78 78 GLU HA H 1 4.048 0.007 . 1 . . . A 78 GLU HA . 18216 1 901 . 1 1 78 78 GLU HB3 H 1 1.953 0.017 . 2 . . . A 78 GLU HB3 . 18216 1 902 . 1 1 78 78 GLU HG2 H 1 2.328 0.05 . 2 . . . A 78 GLU HG2 . 18216 1 903 . 1 1 78 78 GLU HG3 H 1 2.429 0.05 . 2 . . . A 78 GLU HG3 . 18216 1 904 . 1 1 78 78 GLU C C 13 175.974 0.15 . 1 . . . A 78 GLU C . 18216 1 905 . 1 1 78 78 GLU CA C 13 58.352 0.038 . 1 . . . A 78 GLU CA . 18216 1 906 . 1 1 78 78 GLU CB C 13 29.598 0.029 . 1 . . . A 78 GLU CB . 18216 1 907 . 1 1 78 78 GLU CG C 13 36.747 0.15 . 1 . . . A 78 GLU CG . 18216 1 908 . 1 1 78 78 GLU N N 15 117.517 0.054 . 1 . . . A 78 GLU N . 18216 1 909 . 1 1 79 79 ARG H H 1 7.544 0.004 . 1 . . . A 79 ARG H . 18216 1 910 . 1 1 79 79 ARG HA H 1 4.271 0.009 . 1 . . . A 79 ARG HA . 18216 1 911 . 1 1 79 79 ARG HB2 H 1 1.484 0.011 . 2 . . . A 79 ARG HB2 . 18216 1 912 . 1 1 79 79 ARG HB3 H 1 2.008 0.003 . 2 . . . A 79 ARG HB3 . 18216 1 913 . 1 1 79 79 ARG HG3 H 1 1.386 0.006 . 2 . . . A 79 ARG HG3 . 18216 1 914 . 1 1 79 79 ARG HD2 H 1 2.778 0.05 . 2 . . . A 79 ARG HD2 . 18216 1 915 . 1 1 79 79 ARG HD3 H 1 2.957 0.010 . 2 . . . A 79 ARG HD3 . 18216 1 916 . 1 1 79 79 ARG C C 13 174.583 0.15 . 1 . . . A 79 ARG C . 18216 1 917 . 1 1 79 79 ARG CA C 13 55.965 0.039 . 1 . . . A 79 ARG CA . 18216 1 918 . 1 1 79 79 ARG CB C 13 30.171 0.089 . 1 . . . A 79 ARG CB . 18216 1 919 . 1 1 79 79 ARG CG C 13 26.752 0.056 . 1 . . . A 79 ARG CG . 18216 1 920 . 1 1 79 79 ARG CD C 13 42.059 0.096 . 1 . . . A 79 ARG CD . 18216 1 921 . 1 1 79 79 ARG N N 15 117.613 0.035 . 1 . . . A 79 ARG N . 18216 1 922 . 1 1 80 80 GLN H H 1 7.675 0.004 . 1 . . . A 80 GLN H . 18216 1 923 . 1 1 80 80 GLN HA H 1 4.400 0.008 . 1 . . . A 80 GLN HA . 18216 1 924 . 1 1 80 80 GLN HB3 H 1 2.116 0.005 . 2 . . . A 80 GLN HB3 . 18216 1 925 . 1 1 80 80 GLN HG2 H 1 2.458 0.006 . 2 . . . A 80 GLN HG2 . 18216 1 926 . 1 1 80 80 GLN HE21 H 1 6.796 0.003 . 2 . . . A 80 GLN HE21 . 18216 1 927 . 1 1 80 80 GLN HE22 H 1 7.455 0.004 . 2 . . . A 80 GLN HE22 . 18216 1 928 . 1 1 80 80 GLN C C 13 173.178 0.15 . 1 . . . A 80 GLN C . 18216 1 929 . 1 1 80 80 GLN CA C 13 56.114 0.090 . 1 . . . A 80 GLN CA . 18216 1 930 . 1 1 80 80 GLN CB C 13 29.391 0.103 . 1 . . . A 80 GLN CB . 18216 1 931 . 1 1 80 80 GLN CG C 13 33.958 0.035 . 1 . . . A 80 GLN CG . 18216 1 932 . 1 1 80 80 GLN CD C 13 178.241 0.015 . 1 . . . A 80 GLN CD . 18216 1 933 . 1 1 80 80 GLN N N 15 119.495 0.063 . 1 . . . A 80 GLN N . 18216 1 934 . 1 1 80 80 GLN NE2 N 15 111.172 0.020 . 1 . . . A 80 GLN NE2 . 18216 1 935 . 1 1 81 81 SER H H 1 7.944 0.006 . 1 . . . A 81 SER H . 18216 1 936 . 1 1 81 81 SER HA H 1 4.267 0.012 . 1 . . . A 81 SER HA . 18216 1 937 . 1 1 81 81 SER HB3 H 1 3.877 0.008 . 2 . . . A 81 SER HB3 . 18216 1 938 . 1 1 81 81 SER C C 13 176.705 0.15 . 1 . . . A 81 SER C . 18216 1 939 . 1 1 81 81 SER CA C 13 60.453 0.062 . 1 . . . A 81 SER CA . 18216 1 940 . 1 1 81 81 SER CB C 13 64.971 0.035 . 1 . . . A 81 SER CB . 18216 1 941 . 1 1 81 81 SER N N 15 122.412 0.031 . 1 . . . A 81 SER N . 18216 1 stop_ save_