data_15608 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15608 _Entry.Title ; NMR STRUCTURE OF PROTEIN VPA0419 FROM VIBRIO PARAHAEMOLYTICUS: NORTHEAST STRUCTURAL GENOMICS TARGET VPR68. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-28 _Entry.Accession_date 2007-12-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'KIRAN KUMAR' SINGARAPU . . . 15608 2 DINESH SUKUMARAN . K. . 15608 3 ALEX ELETSKI . . . 15608 4 DAVID PARISH . . . 15608 5 Li Zhao . . . 15608 6 Mei Jiang . . . 15608 7 Melissa Maglaqui . . . 15608 8 Rong Xiao . . . 15608 9 Jinfeng Liu . . . 15608 10 Michael Baran . C. . 15608 11 G.V.T Swapna . . . 15608 12 Thomas Acton . B. . 15608 13 Burkhard Rost . . . 15608 14 Gaetano Montelione . T. . 15608 15 THOMAS SZYPERSKI . . . 15608 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15608 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15608 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 381 15608 '15N chemical shifts' 86 15608 '1H chemical shifts' 623 15608 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-26 2007-12-28 update BMRB 'update entity name' 15608 1 . . 2008-02-13 2007-12-28 original author 'original release' 15608 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JZ5 'BMRB Entry Tracking System' 15608 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15608 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR STRUCTURE OF PROTEIN VPA0419 FROM VIBRIO PARAHAEMOLYTICUS: NORTHEAST STRUCTURAL GENOMICS TARGET VPR68.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'KIRAN KUMAR' SINGARAPU . . . 15608 1 2 DINESH SUKUMARAN . K. . 15608 1 3 Rong Xiao . . . 15608 1 4 THOMAS Acton . . . 15608 1 5 Gaetano Montelione . T. . 15608 1 6 THOMAS SZYPERSKI . . . 15608 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'GFT NMR' 15608 1 NESGC 15608 1 'PROTEIN STRUCTURE' 15608 1 PSI 15608 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15608 _Assembly.ID 1 _Assembly.Name VPA0419 _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 VPA0419 1 $VPA0419 A . yes native no no . . . 15608 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VPA0419 _Entity.Sf_category entity _Entity.Sf_framecode VPA0419 _Entity.Entry_ID 15608 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VPA0419 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AGEIGFIIKEGDEVADVTIF AETKDALESELAKYIELAKS VCAGVEYNVSELTEESKELT ARFKFEVSAEKLIFELKTRS LARLEHHHHHH ; _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10301.690 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JZ5 . "Nmr Solution Structure Of Protein Vpa0419 From Vibrio Parahaemolyticus. Northeast Structural Genomics Target Vpr68" . . . . . 100.00 91 100.00 100.00 7.95e-55 . . . . 15608 1 2 no DBJ BAC61762 . "conserved hypothetical protein [Vibrio parahaemolyticus RIMD 2210633]" . . . . . 91.21 99 100.00 100.00 3.67e-48 . . . . 15608 1 3 no GB AGB11762 . "hypothetical protein VPBB_A0388 [Vibrio parahaemolyticus BB22OP]" . . . . . 91.21 99 100.00 100.00 3.67e-48 . . . . 15608 1 4 no GB AGQ94127 . "hypothetical protein M634_24370 [Vibrio parahaemolyticus O1:Kuk str. FDA_R31]" . . . . . 91.21 99 100.00 100.00 3.67e-48 . . . . 15608 1 5 no GB AGQ97242 . "hypothetical protein M636_01365 [Vibrio parahaemolyticus O1:K33 str. CDC_K4557]" . . . . . 91.21 99 100.00 100.00 3.67e-48 . . . . 15608 1 6 no GB AHJ02336 . "hypothetical protein VPUCM_21215 [Vibrio parahaemolyticus UCM-V493]" . . . . . 91.21 99 100.00 100.00 3.67e-48 . . . . 15608 1 7 no GB AKU56863 . "hypothetical protein FORC8_3303 [Vibrio parahaemolyticus]" . . . . . 91.21 99 100.00 100.00 3.67e-48 . . . . 15608 1 8 no REF NP_799929 . "hypothetical protein VPA0419 [Vibrio parahaemolyticus RIMD 2210633]" . . . . . 91.21 99 100.00 100.00 3.67e-48 . . . . 15608 1 9 no REF WP_005480806 . "hypothetical protein, partial [Vibrio parahaemolyticus]" . . . . . 72.53 66 100.00 100.00 2.57e-35 . . . . 15608 1 10 no REF WP_005488152 . "MULTISPECIES: hypothetical protein [Vibrio]" . . . . . 91.21 99 100.00 100.00 3.67e-48 . . . . 15608 1 11 no REF WP_024701459 . "hypothetical protein [Vibrio parahaemolyticus]" . . . . . 91.21 99 98.80 100.00 9.26e-48 . . . . 15608 1 12 no REF WP_025565380 . "hypothetical protein, partial [Vibrio parahaemolyticus]" . . . . . 85.71 78 100.00 100.00 2.35e-44 . . . . 15608 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 . ALA . 15608 1 2 . GLY . 15608 1 3 . GLU . 15608 1 4 . ILE . 15608 1 5 . GLY . 15608 1 6 . PHE . 15608 1 7 . ILE . 15608 1 8 . ILE . 15608 1 9 . LYS . 15608 1 10 . GLU . 15608 1 11 . GLY . 15608 1 12 . ASP . 15608 1 13 . GLU . 15608 1 14 . VAL . 15608 1 15 . ALA . 15608 1 16 . ASP . 15608 1 17 . VAL . 15608 1 18 . THR . 15608 1 19 . ILE . 15608 1 20 . PHE . 15608 1 21 . ALA . 15608 1 22 . GLU . 15608 1 23 . THR . 15608 1 24 . LYS . 15608 1 25 . ASP . 15608 1 26 . ALA . 15608 1 27 . LEU . 15608 1 28 . GLU . 15608 1 29 . SER . 15608 1 30 . GLU . 15608 1 31 . LEU . 15608 1 32 . ALA . 15608 1 33 . LYS . 15608 1 34 . TYR . 15608 1 35 . ILE . 15608 1 36 . GLU . 15608 1 37 . LEU . 15608 1 38 . ALA . 15608 1 39 . LYS . 15608 1 40 . SER . 15608 1 41 . VAL . 15608 1 42 . CYS . 15608 1 43 . ALA . 15608 1 44 . GLY . 15608 1 45 . VAL . 15608 1 46 . GLU . 15608 1 47 . TYR . 15608 1 48 . ASN . 15608 1 49 . VAL . 15608 1 50 . SER . 15608 1 51 . GLU . 15608 1 52 . LEU . 15608 1 53 . THR . 15608 1 54 . GLU . 15608 1 55 . GLU . 15608 1 56 . SER . 15608 1 57 . LYS . 15608 1 58 . GLU . 15608 1 59 . LEU . 15608 1 60 . THR . 15608 1 61 . ALA . 15608 1 62 . ARG . 15608 1 63 . PHE . 15608 1 64 . LYS . 15608 1 65 . PHE . 15608 1 66 . GLU . 15608 1 67 . VAL . 15608 1 68 . SER . 15608 1 69 . ALA . 15608 1 70 . GLU . 15608 1 71 . LYS . 15608 1 72 . LEU . 15608 1 73 . ILE . 15608 1 74 . PHE . 15608 1 75 . GLU . 15608 1 76 . LEU . 15608 1 77 . LYS . 15608 1 78 . THR . 15608 1 79 . ARG . 15608 1 80 . SER . 15608 1 81 . LEU . 15608 1 82 . ALA . 15608 1 83 . ARG . 15608 1 84 . LEU . 15608 1 85 . GLU . 15608 1 86 . HIS . 15608 1 87 . HIS . 15608 1 88 . HIS . 15608 1 89 . HIS . 15608 1 90 . HIS . 15608 1 91 . HIS . 15608 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 . ALA 1 1 15608 1 . GLY 2 2 15608 1 . GLU 3 3 15608 1 . ILE 4 4 15608 1 . GLY 5 5 15608 1 . PHE 6 6 15608 1 . ILE 7 7 15608 1 . ILE 8 8 15608 1 . LYS 9 9 15608 1 . GLU 10 10 15608 1 . GLY 11 11 15608 1 . ASP 12 12 15608 1 . GLU 13 13 15608 1 . VAL 14 14 15608 1 . ALA 15 15 15608 1 . ASP 16 16 15608 1 . VAL 17 17 15608 1 . THR 18 18 15608 1 . ILE 19 19 15608 1 . PHE 20 20 15608 1 . ALA 21 21 15608 1 . GLU 22 22 15608 1 . THR 23 23 15608 1 . LYS 24 24 15608 1 . ASP 25 25 15608 1 . ALA 26 26 15608 1 . LEU 27 27 15608 1 . GLU 28 28 15608 1 . SER 29 29 15608 1 . GLU 30 30 15608 1 . LEU 31 31 15608 1 . ALA 32 32 15608 1 . LYS 33 33 15608 1 . TYR 34 34 15608 1 . ILE 35 35 15608 1 . GLU 36 36 15608 1 . LEU 37 37 15608 1 . ALA 38 38 15608 1 . LYS 39 39 15608 1 . SER 40 40 15608 1 . VAL 41 41 15608 1 . CYS 42 42 15608 1 . ALA 43 43 15608 1 . GLY 44 44 15608 1 . VAL 45 45 15608 1 . GLU 46 46 15608 1 . TYR 47 47 15608 1 . ASN 48 48 15608 1 . VAL 49 49 15608 1 . SER 50 50 15608 1 . GLU 51 51 15608 1 . LEU 52 52 15608 1 . THR 53 53 15608 1 . GLU 54 54 15608 1 . GLU 55 55 15608 1 . SER 56 56 15608 1 . LYS 57 57 15608 1 . GLU 58 58 15608 1 . LEU 59 59 15608 1 . THR 60 60 15608 1 . ALA 61 61 15608 1 . ARG 62 62 15608 1 . PHE 63 63 15608 1 . LYS 64 64 15608 1 . PHE 65 65 15608 1 . GLU 66 66 15608 1 . VAL 67 67 15608 1 . SER 68 68 15608 1 . ALA 69 69 15608 1 . GLU 70 70 15608 1 . LYS 71 71 15608 1 . LEU 72 72 15608 1 . ILE 73 73 15608 1 . PHE 74 74 15608 1 . GLU 75 75 15608 1 . LEU 76 76 15608 1 . LYS 77 77 15608 1 . THR 78 78 15608 1 . ARG 79 79 15608 1 . SER 80 80 15608 1 . LEU 81 81 15608 1 . ALA 82 82 15608 1 . ARG 83 83 15608 1 . LEU 84 84 15608 1 . GLU 85 85 15608 1 . HIS 86 86 15608 1 . HIS 87 87 15608 1 . HIS 88 88 15608 1 . HIS 89 89 15608 1 . HIS 90 90 15608 1 . HIS 91 91 15608 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 15608 _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 $VPA0419 . 670 plasmid . 'Vibrio parahaemolyticus' 'Vibrio parahaemolyticus' . . Bacteria . Vibrio parahaemolyticus . . . . . . . . . . . . . . . . VPA0419 . . . . 15608 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 15608 _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 $VPA0419 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet21 . . . . . . 15608 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15608 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $VPA0419 . . 1.07 . . mM . . . . 15608 1 2 NaCl . . . . . . . 100 . . mM . . . . 15608 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15608 1 4 H2O . . . . . . . 90 . . % . . . . 15608 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 15608 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 15608 1 pH 5.5 . pH 15608 1 pressure 1 . atm 15608 1 temperature 298 . K 15608 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15608 _Software.ID 1 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15608 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15608 1 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15608 _Software.ID 2 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15608 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15608 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15608 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15608 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15608 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15608 _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' . . 15608 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15608 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15608 _Software.ID 5 _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' . . 15608 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15608 5 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 15608 _Software.ID 6 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 15608 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID validation 15608 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15608 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15608 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15608 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 15608 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15608 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15608 8 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 15608 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15608 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15608 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . . . 15608 1 2 spectrometer_2 Varian INOVA . 600 . . . 15608 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 15608 _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 . . . . . . . . . . . . . . . . . . . . . 15608 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15608 1 3 '4,3 D GFT HNNACBCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15608 1 4 '4,3 D GFT CABCACONHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15608 1 5 '4,3D HABCABCONHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15608 1 6 '4,3D GFT HCCH COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15608 1 7 '3D HCCH COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15608 1 8 '3D SimNOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15608 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 15608 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15608 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15608 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15608 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 15608 _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' . . . 15608 1 2 '2D 1H-13C HSQC' . . . 15608 1 3 '4,3 D GFT HNNACBCA' . . . 15608 1 4 '4,3 D GFT CABCACONHN' . . . 15608 1 5 '4,3D HABCABCONHN' . . . 15608 1 6 '4,3D GFT HCCH COSY' . . . 15608 1 7 '3D HCCH COSY' . . . 15608 1 8 '3D SimNOESY' . . . 15608 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $AutoAssign . . 15608 1 5 $NMRPipe . . 15608 1 8 $VNMRJ . . 15608 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.088 0.02 . 1 . . . . 1 ALA HA . 15608 1 2 . 1 1 1 1 ALA HB1 H 1 1.506 0.02 . 1 . . . . 1 ALA HB . 15608 1 3 . 1 1 1 1 ALA HB2 H 1 1.506 0.02 . 1 . . . . 1 ALA HB . 15608 1 4 . 1 1 1 1 ALA HB3 H 1 1.506 0.02 . 1 . . . . 1 ALA HB . 15608 1 5 . 1 1 1 1 ALA C C 13 174.251 0.02 . 1 . . . . 1 ALA C . 15608 1 6 . 1 1 1 1 ALA CA C 13 51.943 0.02 . 1 . . . . 1 ALA CA . 15608 1 7 . 1 1 1 1 ALA CB C 13 19.285 0.02 . 1 . . . . 1 ALA CB . 15608 1 8 . 1 1 2 2 GLY H H 1 8.601 0.003 . 1 . . . . 2 GLY H . 15608 1 9 . 1 1 2 2 GLY HA2 H 1 3.768 0.02 . 2 . . . . 2 GLY HA2 . 15608 1 10 . 1 1 2 2 GLY HA3 H 1 3.980 0.02 . 2 . . . . 2 GLY HA3 . 15608 1 11 . 1 1 2 2 GLY C C 13 173.661 0.02 . 1 . . . . 2 GLY C . 15608 1 12 . 1 1 2 2 GLY CA C 13 45.107 0.02 . 1 . . . . 2 GLY CA . 15608 1 13 . 1 1 2 2 GLY N N 15 107.991 0.02 . 1 . . . . 2 GLY N . 15608 1 14 . 1 1 3 3 GLU H H 1 8.622 0.02 . 1 . . . . 3 GLU H . 15608 1 15 . 1 1 3 3 GLU HA H 1 3.785 0.002 . 1 . . . . 3 GLU HA . 15608 1 16 . 1 1 3 3 GLU HB2 H 1 1.838 0.02 . 1 . . . . 3 GLU HB2 . 15608 1 17 . 1 1 3 3 GLU HB3 H 1 1.813 0.02 . 1 . . . . 3 GLU HB3 . 15608 1 18 . 1 1 3 3 GLU HG2 H 1 2.237 0.02 . 2 . . . . 3 GLU HG2 . 15608 1 19 . 1 1 3 3 GLU HG3 H 1 2.110 0.02 . 2 . . . . 3 GLU HG3 . 15608 1 20 . 1 1 3 3 GLU C C 13 177.106 0.02 . 1 . . . . 3 GLU C . 15608 1 21 . 1 1 3 3 GLU CA C 13 57.014 0.02 . 1 . . . . 3 GLU CA . 15608 1 22 . 1 1 3 3 GLU CB C 13 29.168 0.02 . 1 . . . . 3 GLU CB . 15608 1 23 . 1 1 3 3 GLU CG C 13 36.010 0.02 . 1 . . . . 3 GLU CG . 15608 1 24 . 1 1 3 3 GLU N N 15 121.142 0.02 . 1 . . . . 3 GLU N . 15608 1 25 . 1 1 4 4 ILE H H 1 8.219 0.02 . 1 . . . . 4 ILE H . 15608 1 26 . 1 1 4 4 ILE HA H 1 4.130 0.02 . 1 . . . . 4 ILE HA . 15608 1 27 . 1 1 4 4 ILE HB H 1 1.728 0.002 . 1 . . . . 4 ILE HB . 15608 1 28 . 1 1 4 4 ILE HD11 H 1 0.755 0.02 . 1 . . . . 4 ILE HD1 . 15608 1 29 . 1 1 4 4 ILE HD12 H 1 0.755 0.02 . 1 . . . . 4 ILE HD1 . 15608 1 30 . 1 1 4 4 ILE HD13 H 1 0.755 0.02 . 1 . . . . 4 ILE HD1 . 15608 1 31 . 1 1 4 4 ILE HG12 H 1 1.364 0.004 . 2 . . . . 4 ILE HG12 . 15608 1 32 . 1 1 4 4 ILE HG13 H 1 1.063 0.02 . 2 . . . . 4 ILE HG13 . 15608 1 33 . 1 1 4 4 ILE HG21 H 1 0.718 0.005 . 1 . . . . 4 ILE HG2 . 15608 1 34 . 1 1 4 4 ILE HG22 H 1 0.718 0.005 . 1 . . . . 4 ILE HG2 . 15608 1 35 . 1 1 4 4 ILE HG23 H 1 0.718 0.005 . 1 . . . . 4 ILE HG2 . 15608 1 36 . 1 1 4 4 ILE C C 13 176.454 0.02 . 1 . . . . 4 ILE C . 15608 1 37 . 1 1 4 4 ILE CA C 13 61.015 0.02 . 1 . . . . 4 ILE CA . 15608 1 38 . 1 1 4 4 ILE CB C 13 38.899 0.02 . 1 . . . . 4 ILE CB . 15608 1 39 . 1 1 4 4 ILE CD1 C 13 13.004 0.02 . 1 . . . . 4 ILE CD1 . 15608 1 40 . 1 1 4 4 ILE CG1 C 13 27.104 0.02 . 1 . . . . 4 ILE CG1 . 15608 1 41 . 1 1 4 4 ILE CG2 C 13 17.360 0.02 . 1 . . . . 4 ILE CG2 . 15608 1 42 . 1 1 4 4 ILE N N 15 121.272 0.02 . 1 . . . . 4 ILE N . 15608 1 43 . 1 1 5 5 GLY H H 1 8.247 0.02 . 1 . . . . 5 GLY H . 15608 1 44 . 1 1 5 5 GLY HA2 H 1 3.734 0.02 . 2 . . . . 5 GLY HA2 . 15608 1 45 . 1 1 5 5 GLY HA3 H 1 3.944 0.02 . 2 . . . . 5 GLY HA3 . 15608 1 46 . 1 1 5 5 GLY C C 13 174.003 0.02 . 1 . . . . 5 GLY C . 15608 1 47 . 1 1 5 5 GLY CA C 13 44.857 0.02 . 1 . . . . 5 GLY CA . 15608 1 48 . 1 1 5 5 GLY N N 15 111.215 0.02 . 1 . . . . 5 GLY N . 15608 1 49 . 1 1 6 6 PHE H H 1 7.613 0.02 . 1 . . . . 6 PHE H . 15608 1 50 . 1 1 6 6 PHE HA H 1 4.665 0.02 . 1 . . . . 6 PHE HA . 15608 1 51 . 1 1 6 6 PHE HB2 H 1 2.911 0.001 . 1 . . . . 6 PHE HB2 . 15608 1 52 . 1 1 6 6 PHE HB3 H 1 3.265 0.001 . 1 . . . . 6 PHE HB3 . 15608 1 53 . 1 1 6 6 PHE HD1 H 1 7.043 0.004 . 1 . . . . 6 PHE HD1 . 15608 1 54 . 1 1 6 6 PHE HD2 H 1 7.043 0.004 . 1 . . . . 6 PHE HD2 . 15608 1 55 . 1 1 6 6 PHE HE1 H 1 7.030 0.005 . 1 . . . . 6 PHE HE1 . 15608 1 56 . 1 1 6 6 PHE HE2 H 1 7.030 0.005 . 1 . . . . 6 PHE HE2 . 15608 1 57 . 1 1 6 6 PHE HZ H 1 7.137 0.02 . 1 . . . . 6 PHE HZ . 15608 1 58 . 1 1 6 6 PHE C C 13 175.492 0.02 . 1 . . . . 6 PHE C . 15608 1 59 . 1 1 6 6 PHE CA C 13 55.993 0.02 . 1 . . . . 6 PHE CA . 15608 1 60 . 1 1 6 6 PHE CB C 13 39.091 0.02 . 1 . . . . 6 PHE CB . 15608 1 61 . 1 1 6 6 PHE CD1 C 13 130.932 0.02 . 1 . . . . 6 PHE CD1 . 15608 1 62 . 1 1 6 6 PHE CE1 C 13 129.350 0.02 . 1 . . . . 6 PHE CE1 . 15608 1 63 . 1 1 6 6 PHE CZ C 13 129.536 0.02 . 1 . . . . 6 PHE CZ . 15608 1 64 . 1 1 6 6 PHE N N 15 119.773 0.02 . 1 . . . . 6 PHE N . 15608 1 65 . 1 1 7 7 ILE H H 1 8.007 0.02 . 1 . . . . 7 ILE H . 15608 1 66 . 1 1 7 7 ILE HA H 1 3.962 0.02 . 1 . . . . 7 ILE HA . 15608 1 67 . 1 1 7 7 ILE HB H 1 1.798 0.02 . 1 . . . . 7 ILE HB . 15608 1 68 . 1 1 7 7 ILE HD11 H 1 0.803 0.002 . 1 . . . . 7 ILE HD1 . 15608 1 69 . 1 1 7 7 ILE HD12 H 1 0.803 0.002 . 1 . . . . 7 ILE HD1 . 15608 1 70 . 1 1 7 7 ILE HD13 H 1 0.803 0.002 . 1 . . . . 7 ILE HD1 . 15608 1 71 . 1 1 7 7 ILE HG12 H 1 1.473 0.02 . 2 . . . . 7 ILE HG12 . 15608 1 72 . 1 1 7 7 ILE HG13 H 1 1.172 0.02 . 2 . . . . 7 ILE HG13 . 15608 1 73 . 1 1 7 7 ILE HG21 H 1 0.833 0.02 . 1 . . . . 7 ILE HG2 . 15608 1 74 . 1 1 7 7 ILE HG22 H 1 0.833 0.02 . 1 . . . . 7 ILE HG2 . 15608 1 75 . 1 1 7 7 ILE HG23 H 1 0.833 0.02 . 1 . . . . 7 ILE HG2 . 15608 1 76 . 1 1 7 7 ILE C C 13 176.857 0.02 . 1 . . . . 7 ILE C . 15608 1 77 . 1 1 7 7 ILE CA C 13 61.474 0.02 . 1 . . . . 7 ILE CA . 15608 1 78 . 1 1 7 7 ILE CB C 13 38.423 0.02 . 1 . . . . 7 ILE CB . 15608 1 79 . 1 1 7 7 ILE CD1 C 13 12.385 0.02 . 1 . . . . 7 ILE CD1 . 15608 1 80 . 1 1 7 7 ILE CG1 C 13 27.650 0.02 . 1 . . . . 7 ILE CG1 . 15608 1 81 . 1 1 7 7 ILE CG2 C 13 17.448 0.02 . 1 . . . . 7 ILE CG2 . 15608 1 82 . 1 1 7 7 ILE N N 15 122.854 0.02 . 1 . . . . 7 ILE N . 15608 1 83 . 1 1 8 8 ILE H H 1 8.092 0.002 . 1 . . . . 8 ILE H . 15608 1 84 . 1 1 8 8 ILE HA H 1 3.780 0.001 . 1 . . . . 8 ILE HA . 15608 1 85 . 1 1 8 8 ILE HB H 1 1.117 0.02 . 1 . . . . 8 ILE HB . 15608 1 86 . 1 1 8 8 ILE HD11 H 1 0.499 0.002 . 1 . . . . 8 ILE HD1 . 15608 1 87 . 1 1 8 8 ILE HD12 H 1 0.499 0.002 . 1 . . . . 8 ILE HD1 . 15608 1 88 . 1 1 8 8 ILE HD13 H 1 0.499 0.002 . 1 . . . . 8 ILE HD1 . 15608 1 89 . 1 1 8 8 ILE HG12 H 1 0.811 0.02 . 2 . . . . 8 ILE HG12 . 15608 1 90 . 1 1 8 8 ILE HG13 H 1 1.537 0.004 . 2 . . . . 8 ILE HG13 . 15608 1 91 . 1 1 8 8 ILE HG21 H 1 0.791 0.005 . 1 . . . . 8 ILE HG2 . 15608 1 92 . 1 1 8 8 ILE HG22 H 1 0.791 0.005 . 1 . . . . 8 ILE HG2 . 15608 1 93 . 1 1 8 8 ILE HG23 H 1 0.791 0.005 . 1 . . . . 8 ILE HG2 . 15608 1 94 . 1 1 8 8 ILE C C 13 175.368 0.02 . 1 . . . . 8 ILE C . 15608 1 95 . 1 1 8 8 ILE CA C 13 61.831 0.02 . 1 . . . . 8 ILE CA . 15608 1 96 . 1 1 8 8 ILE CB C 13 39.322 0.02 . 1 . . . . 8 ILE CB . 15608 1 97 . 1 1 8 8 ILE CD1 C 13 13.695 0.02 . 1 . . . . 8 ILE CD1 . 15608 1 98 . 1 1 8 8 ILE CG1 C 13 28.027 0.02 . 1 . . . . 8 ILE CG1 . 15608 1 99 . 1 1 8 8 ILE CG2 C 13 18.935 0.02 . 1 . . . . 8 ILE CG2 . 15608 1 100 . 1 1 8 8 ILE N N 15 125.094 0.02 . 1 . . . . 8 ILE N . 15608 1 101 . 1 1 9 9 LYS H H 1 8.301 0.02 . 1 . . . . 9 LYS H . 15608 1 102 . 1 1 9 9 LYS HA H 1 4.298 0.02 . 1 . . . . 9 LYS HA . 15608 1 103 . 1 1 9 9 LYS HB2 H 1 1.880 0.02 . 2 . . . . 9 LYS HB2 . 15608 1 104 . 1 1 9 9 LYS HB3 H 1 1.722 0.003 . 2 . . . . 9 LYS HB3 . 15608 1 105 . 1 1 9 9 LYS HD2 H 1 1.671 0.02 . 2 . . . . 9 LYS HD2 . 15608 1 106 . 1 1 9 9 LYS HD3 H 1 1.673 0.02 . 2 . . . . 9 LYS HD3 . 15608 1 107 . 1 1 9 9 LYS HE2 H 1 3.006 0.02 . 2 . . . . 9 LYS HE2 . 15608 1 108 . 1 1 9 9 LYS HE3 H 1 3.001 0.02 . 2 . . . . 9 LYS HE3 . 15608 1 109 . 1 1 9 9 LYS HG2 H 1 1.506 0.02 . 2 . . . . 9 LYS HG2 . 15608 1 110 . 1 1 9 9 LYS HG3 H 1 1.490 0.02 . 2 . . . . 9 LYS HG3 . 15608 1 111 . 1 1 9 9 LYS C C 13 175.989 0.02 . 1 . . . . 9 LYS C . 15608 1 112 . 1 1 9 9 LYS CA C 13 55.045 0.02 . 1 . . . . 9 LYS CA . 15608 1 113 . 1 1 9 9 LYS CB C 13 33.310 0.02 . 1 . . . . 9 LYS CB . 15608 1 114 . 1 1 9 9 LYS CD C 13 28.718 0.02 . 1 . . . . 9 LYS CD . 15608 1 115 . 1 1 9 9 LYS CE C 13 42.510 0.02 . 1 . . . . 9 LYS CE . 15608 1 116 . 1 1 9 9 LYS CG C 13 24.666 0.02 . 1 . . . . 9 LYS CG . 15608 1 117 . 1 1 9 9 LYS N N 15 128.302 0.02 . 1 . . . . 9 LYS N . 15608 1 118 . 1 1 10 10 GLU H H 1 8.424 0.02 . 1 . . . . 10 GLU H . 15608 1 119 . 1 1 10 10 GLU HA H 1 3.979 0.004 . 1 . . . . 10 GLU HA . 15608 1 120 . 1 1 10 10 GLU HB2 H 1 2.021 0.02 . 2 . . . . 10 GLU HB2 . 15608 1 121 . 1 1 10 10 GLU HB3 H 1 1.930 0.02 . 2 . . . . 10 GLU HB3 . 15608 1 122 . 1 1 10 10 GLU HG2 H 1 2.291 0.02 . 2 . . . . 10 GLU HG2 . 15608 1 123 . 1 1 10 10 GLU HG3 H 1 2.297 0.02 . 2 . . . . 10 GLU HG3 . 15608 1 124 . 1 1 10 10 GLU C C 13 176.113 0.02 . 1 . . . . 10 GLU C . 15608 1 125 . 1 1 10 10 GLU CA C 13 57.358 0.02 . 1 . . . . 10 GLU CA . 15608 1 126 . 1 1 10 10 GLU CB C 13 30.011 0.02 . 1 . . . . 10 GLU CB . 15608 1 127 . 1 1 10 10 GLU CG C 13 36.346 0.02 . 1 . . . . 10 GLU CG . 15608 1 128 . 1 1 10 10 GLU N N 15 119.341 0.02 . 1 . . . . 10 GLU N . 15608 1 129 . 1 1 11 11 GLY H H 1 8.161 0.02 . 1 . . . . 11 GLY H . 15608 1 130 . 1 1 11 11 GLY HA2 H 1 4.265 0.001 . 2 . . . . 11 GLY HA2 . 15608 1 131 . 1 1 11 11 GLY HA3 H 1 4.055 0.02 . 2 . . . . 11 GLY HA3 . 15608 1 132 . 1 1 11 11 GLY C C 13 174.065 0.02 . 1 . . . . 11 GLY C . 15608 1 133 . 1 1 11 11 GLY CA C 13 45.405 0.02 . 1 . . . . 11 GLY CA . 15608 1 134 . 1 1 11 11 GLY N N 15 107.677 0.02 . 1 . . . . 11 GLY N . 15608 1 135 . 1 1 12 12 ASP H H 1 8.684 0.02 . 1 . . . . 12 ASP H . 15608 1 136 . 1 1 12 12 ASP HA H 1 4.473 0.02 . 1 . . . . 12 ASP HA . 15608 1 137 . 1 1 12 12 ASP HB2 H 1 2.662 0.02 . 2 . . . . 12 ASP HB2 . 15608 1 138 . 1 1 12 12 ASP HB3 H 1 2.704 0.02 . 2 . . . . 12 ASP HB3 . 15608 1 139 . 1 1 12 12 ASP C C 13 176.547 0.02 . 1 . . . . 12 ASP C . 15608 1 140 . 1 1 12 12 ASP CA C 13 56.608 0.02 . 1 . . . . 12 ASP CA . 15608 1 141 . 1 1 12 12 ASP CB C 13 40.537 0.02 . 1 . . . . 12 ASP CB . 15608 1 142 . 1 1 12 12 ASP N N 15 120.058 0.02 . 1 . . . . 12 ASP N . 15608 1 143 . 1 1 13 13 GLU H H 1 9.220 0.003 . 1 . . . . 13 GLU H . 15608 1 144 . 1 1 13 13 GLU HA H 1 4.310 0.003 . 1 . . . . 13 GLU HA . 15608 1 145 . 1 1 13 13 GLU HB2 H 1 1.934 0.02 . 2 . . . . 13 GLU HB2 . 15608 1 146 . 1 1 13 13 GLU HB3 H 1 2.003 0.004 . 2 . . . . 13 GLU HB3 . 15608 1 147 . 1 1 13 13 GLU HG2 H 1 2.230 0.02 . 2 . . . . 13 GLU HG2 . 15608 1 148 . 1 1 13 13 GLU HG3 H 1 2.226 0.02 . 2 . . . . 13 GLU HG3 . 15608 1 149 . 1 1 13 13 GLU C C 13 174.251 0.02 . 1 . . . . 13 GLU C . 15608 1 150 . 1 1 13 13 GLU CA C 13 56.291 0.02 . 1 . . . . 13 GLU CA . 15608 1 151 . 1 1 13 13 GLU CB C 13 28.355 0.02 . 1 . . . . 13 GLU CB . 15608 1 152 . 1 1 13 13 GLU CG C 13 36.271 0.02 . 1 . . . . 13 GLU CG . 15608 1 153 . 1 1 13 13 GLU N N 15 117.262 0.02 . 1 . . . . 13 GLU N . 15608 1 154 . 1 1 14 14 VAL H H 1 7.595 0.001 . 1 . . . . 14 VAL H . 15608 1 155 . 1 1 14 14 VAL HA H 1 5.403 0.02 . 1 . . . . 14 VAL HA . 15608 1 156 . 1 1 14 14 VAL HB H 1 2.057 0.001 . 1 . . . . 14 VAL HB . 15608 1 157 . 1 1 14 14 VAL HG11 H 1 0.768 0.02 . 2 . . . . 14 VAL HG1 . 15608 1 158 . 1 1 14 14 VAL HG12 H 1 0.768 0.02 . 2 . . . . 14 VAL HG1 . 15608 1 159 . 1 1 14 14 VAL HG13 H 1 0.768 0.02 . 2 . . . . 14 VAL HG1 . 15608 1 160 . 1 1 14 14 VAL HG21 H 1 0.899 0.003 . 2 . . . . 14 VAL HG2 . 15608 1 161 . 1 1 14 14 VAL HG22 H 1 0.899 0.003 . 2 . . . . 14 VAL HG2 . 15608 1 162 . 1 1 14 14 VAL HG23 H 1 0.899 0.003 . 2 . . . . 14 VAL HG2 . 15608 1 163 . 1 1 14 14 VAL C C 13 175.120 0.02 . 1 . . . . 14 VAL C . 15608 1 164 . 1 1 14 14 VAL CA C 13 60.699 0.02 . 1 . . . . 14 VAL CA . 15608 1 165 . 1 1 14 14 VAL CB C 13 34.253 0.02 . 1 . . . . 14 VAL CB . 15608 1 166 . 1 1 14 14 VAL CG1 C 13 21.310 0.02 . 1 . . . . 14 VAL CG1 . 15608 1 167 . 1 1 14 14 VAL CG2 C 13 21.167 0.02 . 1 . . . . 14 VAL CG2 . 15608 1 168 . 1 1 14 14 VAL N N 15 121.871 0.02 . 1 . . . . 14 VAL N . 15608 1 169 . 1 1 15 15 ALA H H 1 9.459 0.001 . 1 . . . . 15 ALA H . 15608 1 170 . 1 1 15 15 ALA HA H 1 5.082 0.002 . 1 . . . . 15 ALA HA . 15608 1 171 . 1 1 15 15 ALA HB1 H 1 1.801 0.002 . 1 . . . . 15 ALA HB . 15608 1 172 . 1 1 15 15 ALA HB2 H 1 1.801 0.002 . 1 . . . . 15 ALA HB . 15608 1 173 . 1 1 15 15 ALA HB3 H 1 1.801 0.002 . 1 . . . . 15 ALA HB . 15608 1 174 . 1 1 15 15 ALA C C 13 174.902 0.02 . 1 . . . . 15 ALA C . 15608 1 175 . 1 1 15 15 ALA CA C 13 50.276 0.02 . 1 . . . . 15 ALA CA . 15608 1 176 . 1 1 15 15 ALA CB C 13 23.917 0.02 . 1 . . . . 15 ALA CB . 15608 1 177 . 1 1 15 15 ALA N N 15 130.285 0.02 . 1 . . . . 15 ALA N . 15608 1 178 . 1 1 16 16 ASP H H 1 8.766 0.02 . 1 . . . . 16 ASP H . 15608 1 179 . 1 1 16 16 ASP HA H 1 5.864 0.001 . 1 . . . . 16 ASP HA . 15608 1 180 . 1 1 16 16 ASP HB2 H 1 2.576 0.004 . 2 . . . . 16 ASP HB2 . 15608 1 181 . 1 1 16 16 ASP HB3 H 1 2.526 0.001 . 2 . . . . 16 ASP HB3 . 15608 1 182 . 1 1 16 16 ASP C C 13 176.888 0.02 . 1 . . . . 16 ASP C . 15608 1 183 . 1 1 16 16 ASP CA C 13 52.956 0.02 . 1 . . . . 16 ASP CA . 15608 1 184 . 1 1 16 16 ASP CB C 13 42.354 0.02 . 1 . . . . 16 ASP CB . 15608 1 185 . 1 1 16 16 ASP N N 15 122.369 0.02 . 1 . . . . 16 ASP N . 15608 1 186 . 1 1 17 17 VAL H H 1 9.384 0.002 . 1 . . . . 17 VAL H . 15608 1 187 . 1 1 17 17 VAL HA H 1 4.510 0.001 . 1 . . . . 17 VAL HA . 15608 1 188 . 1 1 17 17 VAL HB H 1 1.928 0.02 . 1 . . . . 17 VAL HB . 15608 1 189 . 1 1 17 17 VAL HG11 H 1 0.585 0.001 . 2 . . . . 17 VAL HG1 . 15608 1 190 . 1 1 17 17 VAL HG12 H 1 0.585 0.001 . 2 . . . . 17 VAL HG1 . 15608 1 191 . 1 1 17 17 VAL HG13 H 1 0.585 0.001 . 2 . . . . 17 VAL HG1 . 15608 1 192 . 1 1 17 17 VAL HG21 H 1 0.993 0.02 . 2 . . . . 17 VAL HG2 . 15608 1 193 . 1 1 17 17 VAL HG22 H 1 0.993 0.02 . 2 . . . . 17 VAL HG2 . 15608 1 194 . 1 1 17 17 VAL HG23 H 1 0.993 0.02 . 2 . . . . 17 VAL HG2 . 15608 1 195 . 1 1 17 17 VAL C C 13 174.158 0.02 . 1 . . . . 17 VAL C . 15608 1 196 . 1 1 17 17 VAL CA C 13 60.759 0.02 . 1 . . . . 17 VAL CA . 15608 1 197 . 1 1 17 17 VAL CB C 13 35.904 0.02 . 1 . . . . 17 VAL CB . 15608 1 198 . 1 1 17 17 VAL CG1 C 13 20.538 0.02 . 1 . . . . 17 VAL CG1 . 15608 1 199 . 1 1 17 17 VAL CG2 C 13 20.729 0.02 . 1 . . . . 17 VAL CG2 . 15608 1 200 . 1 1 17 17 VAL N N 15 120.782 0.02 . 1 . . . . 17 VAL N . 15608 1 201 . 1 1 18 18 THR H H 1 8.468 0.02 . 1 . . . . 18 THR H . 15608 1 202 . 1 1 18 18 THR HA H 1 5.146 0.004 . 1 . . . . 18 THR HA . 15608 1 203 . 1 1 18 18 THR HB H 1 3.762 0.02 . 1 . . . . 18 THR HB . 15608 1 204 . 1 1 18 18 THR HG21 H 1 0.798 0.001 . 1 . . . . 18 THR HG2 . 15608 1 205 . 1 1 18 18 THR HG22 H 1 0.798 0.001 . 1 . . . . 18 THR HG2 . 15608 1 206 . 1 1 18 18 THR HG23 H 1 0.798 0.001 . 1 . . . . 18 THR HG2 . 15608 1 207 . 1 1 18 18 THR C C 13 173.103 0.02 . 1 . . . . 18 THR C . 15608 1 208 . 1 1 18 18 THR CA C 13 61.652 0.02 . 1 . . . . 18 THR CA . 15608 1 209 . 1 1 18 18 THR CB C 13 70.289 0.02 . 1 . . . . 18 THR CB . 15608 1 210 . 1 1 18 18 THR CG2 C 13 21.924 0.02 . 1 . . . . 18 THR CG2 . 15608 1 211 . 1 1 18 18 THR N N 15 122.141 0.02 . 1 . . . . 18 THR N . 15608 1 212 . 1 1 19 19 ILE H H 1 8.855 0.005 . 1 . . . . 19 ILE H . 15608 1 213 . 1 1 19 19 ILE HA H 1 4.225 0.001 . 1 . . . . 19 ILE HA . 15608 1 214 . 1 1 19 19 ILE HB H 1 1.508 0.02 . 1 . . . . 19 ILE HB . 15608 1 215 . 1 1 19 19 ILE HD11 H 1 0.595 0.02 . 1 . . . . 19 ILE HD1 . 15608 1 216 . 1 1 19 19 ILE HD12 H 1 0.595 0.02 . 1 . . . . 19 ILE HD1 . 15608 1 217 . 1 1 19 19 ILE HD13 H 1 0.595 0.02 . 1 . . . . 19 ILE HD1 . 15608 1 218 . 1 1 19 19 ILE HG12 H 1 0.714 0.001 . 2 . . . . 19 ILE HG12 . 15608 1 219 . 1 1 19 19 ILE HG13 H 1 1.237 0.02 . 2 . . . . 19 ILE HG13 . 15608 1 220 . 1 1 19 19 ILE HG21 H 1 0.836 0.02 . 1 . . . . 19 ILE HG2 . 15608 1 221 . 1 1 19 19 ILE HG22 H 1 0.836 0.02 . 1 . . . . 19 ILE HG2 . 15608 1 222 . 1 1 19 19 ILE HG23 H 1 0.836 0.02 . 1 . . . . 19 ILE HG2 . 15608 1 223 . 1 1 19 19 ILE C C 13 172.948 0.02 . 1 . . . . 19 ILE C . 15608 1 224 . 1 1 19 19 ILE CA C 13 59.806 0.02 . 1 . . . . 19 ILE CA . 15608 1 225 . 1 1 19 19 ILE CB C 13 41.419 0.02 . 1 . . . . 19 ILE CB . 15608 1 226 . 1 1 19 19 ILE CD1 C 13 14.277 0.02 . 1 . . . . 19 ILE CD1 . 15608 1 227 . 1 1 19 19 ILE CG1 C 13 26.939 0.02 . 1 . . . . 19 ILE CG1 . 15608 1 228 . 1 1 19 19 ILE CG2 C 13 17.941 0.02 . 1 . . . . 19 ILE CG2 . 15608 1 229 . 1 1 19 19 ILE N N 15 126.246 0.02 . 1 . . . . 19 ILE N . 15608 1 230 . 1 1 20 20 PHE H H 1 8.298 0.02 . 1 . . . . 20 PHE H . 15608 1 231 . 1 1 20 20 PHE HA H 1 5.287 0.02 . 1 . . . . 20 PHE HA . 15608 1 232 . 1 1 20 20 PHE HB2 H 1 3.083 0.02 . 2 . . . . 20 PHE HB2 . 15608 1 233 . 1 1 20 20 PHE HB3 H 1 2.771 0.002 . 2 . . . . 20 PHE HB3 . 15608 1 234 . 1 1 20 20 PHE HD1 H 1 7.188 0.007 . 1 . . . . 20 PHE HD1 . 15608 1 235 . 1 1 20 20 PHE HD2 H 1 7.188 0.007 . 1 . . . . 20 PHE HD2 . 15608 1 236 . 1 1 20 20 PHE HE1 H 1 7.189 0.02 . 1 . . . . 20 PHE HE1 . 15608 1 237 . 1 1 20 20 PHE HE2 H 1 7.189 0.02 . 1 . . . . 20 PHE HE2 . 15608 1 238 . 1 1 20 20 PHE HZ H 1 7.147 0.02 . 1 . . . . 20 PHE HZ . 15608 1 239 . 1 1 20 20 PHE C C 13 175.120 0.02 . 1 . . . . 20 PHE C . 15608 1 240 . 1 1 20 20 PHE CA C 13 56.113 0.02 . 1 . . . . 20 PHE CA . 15608 1 241 . 1 1 20 20 PHE CB C 13 41.825 0.02 . 1 . . . . 20 PHE CB . 15608 1 242 . 1 1 20 20 PHE CD1 C 13 131.945 0.02 . 1 . . . . 20 PHE CD1 . 15608 1 243 . 1 1 20 20 PHE CE1 C 13 131.015 0.02 . 1 . . . . 20 PHE CE1 . 15608 1 244 . 1 1 20 20 PHE CZ C 13 129.572 0.02 . 1 . . . . 20 PHE CZ . 15608 1 245 . 1 1 20 20 PHE N N 15 122.363 0.02 . 1 . . . . 20 PHE N . 15608 1 246 . 1 1 21 21 ALA H H 1 8.271 0.02 . 1 . . . . 21 ALA H . 15608 1 247 . 1 1 21 21 ALA HA H 1 4.488 0.002 . 1 . . . . 21 ALA HA . 15608 1 248 . 1 1 21 21 ALA HB1 H 1 1.422 0.002 . 1 . . . . 21 ALA HB . 15608 1 249 . 1 1 21 21 ALA HB2 H 1 1.422 0.002 . 1 . . . . 21 ALA HB . 15608 1 250 . 1 1 21 21 ALA HB3 H 1 1.422 0.002 . 1 . . . . 21 ALA HB . 15608 1 251 . 1 1 21 21 ALA C C 13 175.989 0.02 . 1 . . . . 21 ALA C . 15608 1 252 . 1 1 21 21 ALA CA C 13 51.842 0.02 . 1 . . . . 21 ALA CA . 15608 1 253 . 1 1 21 21 ALA CB C 13 21.493 0.02 . 1 . . . . 21 ALA CB . 15608 1 254 . 1 1 21 21 ALA N N 15 122.512 0.02 . 1 . . . . 21 ALA N . 15608 1 255 . 1 1 22 22 GLU H H 1 8.590 0.02 . 1 . . . . 22 GLU H . 15608 1 256 . 1 1 22 22 GLU HA H 1 4.234 0.002 . 1 . . . . 22 GLU HA . 15608 1 257 . 1 1 22 22 GLU HB2 H 1 2.005 0.003 . 1 . . . . 22 GLU HB2 . 15608 1 258 . 1 1 22 22 GLU HB3 H 1 2.245 0.001 . 1 . . . . 22 GLU HB3 . 15608 1 259 . 1 1 22 22 GLU HG2 H 1 2.364 0.004 . 2 . . . . 22 GLU HG2 . 15608 1 260 . 1 1 22 22 GLU HG3 H 1 2.419 0.02 . 2 . . . . 22 GLU HG3 . 15608 1 261 . 1 1 22 22 GLU C C 13 176.516 0.02 . 1 . . . . 22 GLU C . 15608 1 262 . 1 1 22 22 GLU CA C 13 57.899 0.02 . 1 . . . . 22 GLU CA . 15608 1 263 . 1 1 22 22 GLU CB C 13 31.011 0.02 . 1 . . . . 22 GLU CB . 15608 1 264 . 1 1 22 22 GLU CG C 13 36.619 0.02 . 1 . . . . 22 GLU CG . 15608 1 265 . 1 1 22 22 GLU N N 15 112.784 0.02 . 1 . . . . 22 GLU N . 15608 1 266 . 1 1 23 23 THR H H 1 7.131 0.002 . 1 . . . . 23 THR H . 15608 1 267 . 1 1 23 23 THR HA H 1 4.891 0.02 . 1 . . . . 23 THR HA . 15608 1 268 . 1 1 23 23 THR HB H 1 4.594 0.001 . 1 . . . . 23 THR HB . 15608 1 269 . 1 1 23 23 THR HG21 H 1 1.240 0.004 . 1 . . . . 23 THR HG2 . 15608 1 270 . 1 1 23 23 THR HG22 H 1 1.240 0.004 . 1 . . . . 23 THR HG2 . 15608 1 271 . 1 1 23 23 THR HG23 H 1 1.240 0.004 . 1 . . . . 23 THR HG2 . 15608 1 272 . 1 1 23 23 THR C C 13 174.251 0.02 . 1 . . . . 23 THR C . 15608 1 273 . 1 1 23 23 THR CA C 13 58.327 0.02 . 1 . . . . 23 THR CA . 15608 1 274 . 1 1 23 23 THR CB C 13 73.207 0.02 . 1 . . . . 23 THR CB . 15608 1 275 . 1 1 23 23 THR CG2 C 13 22.156 0.02 . 1 . . . . 23 THR CG2 . 15608 1 276 . 1 1 23 23 THR N N 15 104.026 0.02 . 1 . . . . 23 THR N . 15608 1 277 . 1 1 24 24 LYS H H 1 8.814 0.001 . 1 . . . . 24 LYS H . 15608 1 278 . 1 1 24 24 LYS HA H 1 3.930 0.02 . 1 . . . . 24 LYS HA . 15608 1 279 . 1 1 24 24 LYS HB2 H 1 2.052 0.02 . 1 . . . . 24 LYS HB2 . 15608 1 280 . 1 1 24 24 LYS HB3 H 1 1.803 0.02 . 1 . . . . 24 LYS HB3 . 15608 1 281 . 1 1 24 24 LYS HD2 H 1 1.519 0.001 . 2 . . . . 24 LYS HD2 . 15608 1 282 . 1 1 24 24 LYS HD3 H 1 1.647 0.02 . 2 . . . . 24 LYS HD3 . 15608 1 283 . 1 1 24 24 LYS HE2 H 1 2.845 0.02 . 2 . . . . 24 LYS HE2 . 15608 1 284 . 1 1 24 24 LYS HE3 H 1 2.800 0.02 . 2 . . . . 24 LYS HE3 . 15608 1 285 . 1 1 24 24 LYS HG2 H 1 1.379 0.001 . 2 . . . . 24 LYS HG2 . 15608 1 286 . 1 1 24 24 LYS HG3 H 1 1.379 0.02 . 2 . . . . 24 LYS HG3 . 15608 1 287 . 1 1 24 24 LYS C C 13 178.005 0.02 . 1 . . . . 24 LYS C . 15608 1 288 . 1 1 24 24 LYS CA C 13 59.805 0.02 . 1 . . . . 24 LYS CA . 15608 1 289 . 1 1 24 24 LYS CB C 13 32.115 0.02 . 1 . . . . 24 LYS CB . 15608 1 290 . 1 1 24 24 LYS CD C 13 29.439 0.02 . 1 . . . . 24 LYS CD . 15608 1 291 . 1 1 24 24 LYS CE C 13 41.952 0.02 . 1 . . . . 24 LYS CE . 15608 1 292 . 1 1 24 24 LYS CG C 13 24.780 0.02 . 1 . . . . 24 LYS CG . 15608 1 293 . 1 1 24 24 LYS N N 15 123.212 0.02 . 1 . . . . 24 LYS N . 15608 1 294 . 1 1 25 25 ASP H H 1 8.461 0.004 . 1 . . . . 25 ASP H . 15608 1 295 . 1 1 25 25 ASP HA H 1 4.380 0.001 . 1 . . . . 25 ASP HA . 15608 1 296 . 1 1 25 25 ASP HB2 H 1 2.570 0.02 . 2 . . . . 25 ASP HB2 . 15608 1 297 . 1 1 25 25 ASP HB3 H 1 2.642 0.02 . 2 . . . . 25 ASP HB3 . 15608 1 298 . 1 1 25 25 ASP C C 13 178.750 0.02 . 1 . . . . 25 ASP C . 15608 1 299 . 1 1 25 25 ASP CA C 13 56.887 0.02 . 1 . . . . 25 ASP CA . 15608 1 300 . 1 1 25 25 ASP CB C 13 40.269 0.02 . 1 . . . . 25 ASP CB . 15608 1 301 . 1 1 25 25 ASP N N 15 116.721 0.02 . 1 . . . . 25 ASP N . 15608 1 302 . 1 1 26 26 ALA H H 1 7.838 0.004 . 1 . . . . 26 ALA H . 15608 1 303 . 1 1 26 26 ALA HA H 1 4.246 0.003 . 1 . . . . 26 ALA HA . 15608 1 304 . 1 1 26 26 ALA HB1 H 1 1.492 0.003 . 1 . . . . 26 ALA HB . 15608 1 305 . 1 1 26 26 ALA HB2 H 1 1.492 0.003 . 1 . . . . 26 ALA HB . 15608 1 306 . 1 1 26 26 ALA HB3 H 1 1.492 0.003 . 1 . . . . 26 ALA HB . 15608 1 307 . 1 1 26 26 ALA C C 13 180.178 0.02 . 1 . . . . 26 ALA C . 15608 1 308 . 1 1 26 26 ALA CA C 13 54.445 0.02 . 1 . . . . 26 ALA CA . 15608 1 309 . 1 1 26 26 ALA CB C 13 18.886 0.02 . 1 . . . . 26 ALA CB . 15608 1 310 . 1 1 26 26 ALA N N 15 122.740 0.02 . 1 . . . . 26 ALA N . 15608 1 311 . 1 1 27 27 LEU H H 1 7.995 0.003 . 1 . . . . 27 LEU H . 15608 1 312 . 1 1 27 27 LEU HA H 1 3.756 0.02 . 1 . . . . 27 LEU HA . 15608 1 313 . 1 1 27 27 LEU HB2 H 1 2.053 0.002 . 1 . . . . 27 LEU HB2 . 15608 1 314 . 1 1 27 27 LEU HB3 H 1 1.403 0.02 . 1 . . . . 27 LEU HB3 . 15608 1 315 . 1 1 27 27 LEU HD11 H 1 0.531 0.02 . 2 . . . . 27 LEU HD1 . 15608 1 316 . 1 1 27 27 LEU HD12 H 1 0.531 0.02 . 2 . . . . 27 LEU HD1 . 15608 1 317 . 1 1 27 27 LEU HD13 H 1 0.531 0.02 . 2 . . . . 27 LEU HD1 . 15608 1 318 . 1 1 27 27 LEU HD21 H 1 0.559 0.02 . 2 . . . . 27 LEU HD2 . 15608 1 319 . 1 1 27 27 LEU HD22 H 1 0.559 0.02 . 2 . . . . 27 LEU HD2 . 15608 1 320 . 1 1 27 27 LEU HD23 H 1 0.559 0.02 . 2 . . . . 27 LEU HD2 . 15608 1 321 . 1 1 27 27 LEU HG H 1 1.587 0.02 . 1 . . . . 27 LEU HG . 15608 1 322 . 1 1 27 27 LEU C C 13 178.688 0.02 . 1 . . . . 27 LEU C . 15608 1 323 . 1 1 27 27 LEU CA C 13 58.019 0.02 . 1 . . . . 27 LEU CA . 15608 1 324 . 1 1 27 27 LEU CB C 13 42.056 0.02 . 1 . . . . 27 LEU CB . 15608 1 325 . 1 1 27 27 LEU CD1 C 13 26.028 0.02 . 1 . . . . 27 LEU CD1 . 15608 1 326 . 1 1 27 27 LEU CD2 C 13 24.720 0.02 . 1 . . . . 27 LEU CD2 . 15608 1 327 . 1 1 27 27 LEU CG C 13 25.911 0.02 . 1 . . . . 27 LEU CG . 15608 1 328 . 1 1 27 27 LEU N N 15 120.544 0.02 . 1 . . . . 27 LEU N . 15608 1 329 . 1 1 28 28 GLU H H 1 8.244 0.02 . 1 . . . . 28 GLU H . 15608 1 330 . 1 1 28 28 GLU HA H 1 3.809 0.02 . 1 . . . . 28 GLU HA . 15608 1 331 . 1 1 28 28 GLU HB2 H 1 2.178 0.002 . 1 . . . . 28 GLU HB2 . 15608 1 332 . 1 1 28 28 GLU HB3 H 1 2.022 0.004 . 1 . . . . 28 GLU HB3 . 15608 1 333 . 1 1 28 28 GLU HG2 H 1 2.096 0.007 . 2 . . . . 28 GLU HG2 . 15608 1 334 . 1 1 28 28 GLU HG3 H 1 2.496 0.001 . 2 . . . . 28 GLU HG3 . 15608 1 335 . 1 1 28 28 GLU C C 13 179.743 0.02 . 1 . . . . 28 GLU C . 15608 1 336 . 1 1 28 28 GLU CA C 13 59.925 0.02 . 1 . . . . 28 GLU CA . 15608 1 337 . 1 1 28 28 GLU CB C 13 29.309 0.02 . 1 . . . . 28 GLU CB . 15608 1 338 . 1 1 28 28 GLU CG C 13 37.196 0.02 . 1 . . . . 28 GLU CG . 15608 1 339 . 1 1 28 28 GLU N N 15 116.707 0.02 . 1 . . . . 28 GLU N . 15608 1 340 . 1 1 29 29 SER H H 1 8.144 0.002 . 1 . . . . 29 SER H . 15608 1 341 . 1 1 29 29 SER HA H 1 4.281 0.02 . 1 . . . . 29 SER HA . 15608 1 342 . 1 1 29 29 SER HB2 H 1 4.017 0.02 . 2 . . . . 29 SER HB2 . 15608 1 343 . 1 1 29 29 SER HB3 H 1 3.976 0.003 . 2 . . . . 29 SER HB3 . 15608 1 344 . 1 1 29 29 SER C C 13 177.323 0.02 . 1 . . . . 29 SER C . 15608 1 345 . 1 1 29 29 SER CA C 13 61.375 0.02 . 1 . . . . 29 SER CA . 15608 1 346 . 1 1 29 29 SER CB C 13 62.577 0.02 . 1 . . . . 29 SER CB . 15608 1 347 . 1 1 29 29 SER N N 15 116.031 0.02 . 1 . . . . 29 SER N . 15608 1 348 . 1 1 30 30 GLU H H 1 8.158 0.02 . 1 . . . . 30 GLU H . 15608 1 349 . 1 1 30 30 GLU HA H 1 4.262 0.004 . 1 . . . . 30 GLU HA . 15608 1 350 . 1 1 30 30 GLU HB2 H 1 2.222 0.003 . 2 . . . . 30 GLU HB2 . 15608 1 351 . 1 1 30 30 GLU HB3 H 1 2.155 0.003 . 2 . . . . 30 GLU HB3 . 15608 1 352 . 1 1 30 30 GLU HG2 H 1 2.445 0.02 . 2 . . . . 30 GLU HG2 . 15608 1 353 . 1 1 30 30 GLU HG3 H 1 2.568 0.02 . 2 . . . . 30 GLU HG3 . 15608 1 354 . 1 1 30 30 GLU C C 13 179.091 0.02 . 1 . . . . 30 GLU C . 15608 1 355 . 1 1 30 30 GLU CA C 13 58.912 0.02 . 1 . . . . 30 GLU CA . 15608 1 356 . 1 1 30 30 GLU CB C 13 29.658 0.02 . 1 . . . . 30 GLU CB . 15608 1 357 . 1 1 30 30 GLU CG C 13 35.361 0.02 . 1 . . . . 30 GLU CG . 15608 1 358 . 1 1 30 30 GLU N N 15 122.568 0.02 . 1 . . . . 30 GLU N . 15608 1 359 . 1 1 31 31 LEU H H 1 8.618 0.003 . 1 . . . . 31 LEU H . 15608 1 360 . 1 1 31 31 LEU HA H 1 4.081 0.02 . 1 . . . . 31 LEU HA . 15608 1 361 . 1 1 31 31 LEU HB2 H 1 1.521 0.001 . 1 . . . . 31 LEU HB2 . 15608 1 362 . 1 1 31 31 LEU HB3 H 1 2.059 0.02 . 1 . . . . 31 LEU HB3 . 15608 1 363 . 1 1 31 31 LEU HD11 H 1 0.984 0.001 . 2 . . . . 31 LEU HD1 . 15608 1 364 . 1 1 31 31 LEU HD12 H 1 0.984 0.001 . 2 . . . . 31 LEU HD1 . 15608 1 365 . 1 1 31 31 LEU HD13 H 1 0.984 0.001 . 2 . . . . 31 LEU HD1 . 15608 1 366 . 1 1 31 31 LEU HD21 H 1 0.817 0.02 . 2 . . . . 31 LEU HD2 . 15608 1 367 . 1 1 31 31 LEU HD22 H 1 0.817 0.02 . 2 . . . . 31 LEU HD2 . 15608 1 368 . 1 1 31 31 LEU HD23 H 1 0.817 0.02 . 2 . . . . 31 LEU HD2 . 15608 1 369 . 1 1 31 31 LEU HG H 1 1.628 0.001 . 1 . . . . 31 LEU HG . 15608 1 370 . 1 1 31 31 LEU C C 13 178.409 0.02 . 1 . . . . 31 LEU C . 15608 1 371 . 1 1 31 31 LEU CA C 13 58.376 0.02 . 1 . . . . 31 LEU CA . 15608 1 372 . 1 1 31 31 LEU CB C 13 40.894 0.02 . 1 . . . . 31 LEU CB . 15608 1 373 . 1 1 31 31 LEU CD1 C 13 26.470 0.02 . 1 . . . . 31 LEU CD1 . 15608 1 374 . 1 1 31 31 LEU CD2 C 13 22.136 0.02 . 1 . . . . 31 LEU CD2 . 15608 1 375 . 1 1 31 31 LEU CG C 13 26.770 0.02 . 1 . . . . 31 LEU CG . 15608 1 376 . 1 1 31 31 LEU N N 15 120.063 0.02 . 1 . . . . 31 LEU N . 15608 1 377 . 1 1 32 32 ALA H H 1 7.841 0.005 . 1 . . . . 32 ALA H . 15608 1 378 . 1 1 32 32 ALA HA H 1 4.014 0.02 . 1 . . . . 32 ALA HA . 15608 1 379 . 1 1 32 32 ALA HB1 H 1 1.565 0.02 . 1 . . . . 32 ALA HB . 15608 1 380 . 1 1 32 32 ALA HB2 H 1 1.565 0.02 . 1 . . . . 32 ALA HB . 15608 1 381 . 1 1 32 32 ALA HB3 H 1 1.565 0.02 . 1 . . . . 32 ALA HB . 15608 1 382 . 1 1 32 32 ALA C C 13 180.240 0.02 . 1 . . . . 32 ALA C . 15608 1 383 . 1 1 32 32 ALA CA C 13 55.436 0.02 . 1 . . . . 32 ALA CA . 15608 1 384 . 1 1 32 32 ALA CB C 13 17.635 0.02 . 1 . . . . 32 ALA CB . 15608 1 385 . 1 1 32 32 ALA N N 15 119.059 0.02 . 1 . . . . 32 ALA N . 15608 1 386 . 1 1 33 33 LYS H H 1 7.482 0.02 . 1 . . . . 33 LYS H . 15608 1 387 . 1 1 33 33 LYS HA H 1 4.079 0.008 . 1 . . . . 33 LYS HA . 15608 1 388 . 1 1 33 33 LYS HB2 H 1 2.054 0.001 . 1 . . . . 33 LYS HB2 . 15608 1 389 . 1 1 33 33 LYS HB3 H 1 1.796 0.02 . 1 . . . . 33 LYS HB3 . 15608 1 390 . 1 1 33 33 LYS HD2 H 1 1.447 0.02 . 2 . . . . 33 LYS HD2 . 15608 1 391 . 1 1 33 33 LYS HD3 H 1 1.520 0.02 . 2 . . . . 33 LYS HD3 . 15608 1 392 . 1 1 33 33 LYS HE2 H 1 2.799 0.02 . 2 . . . . 33 LYS HE2 . 15608 1 393 . 1 1 33 33 LYS HE3 H 1 2.851 0.02 . 2 . . . . 33 LYS HE3 . 15608 1 394 . 1 1 33 33 LYS HG2 H 1 1.352 0.02 . 2 . . . . 33 LYS HG2 . 15608 1 395 . 1 1 33 33 LYS HG3 H 1 1.651 0.003 . 2 . . . . 33 LYS HG3 . 15608 1 396 . 1 1 33 33 LYS C C 13 180.053 0.02 . 1 . . . . 33 LYS C . 15608 1 397 . 1 1 33 33 LYS CA C 13 59.032 0.02 . 1 . . . . 33 LYS CA . 15608 1 398 . 1 1 33 33 LYS CB C 13 32.266 0.02 . 1 . . . . 33 LYS CB . 15608 1 399 . 1 1 33 33 LYS CD C 13 29.431 0.02 . 1 . . . . 33 LYS CD . 15608 1 400 . 1 1 33 33 LYS CE C 13 41.780 0.02 . 1 . . . . 33 LYS CE . 15608 1 401 . 1 1 33 33 LYS CG C 13 24.768 0.02 . 1 . . . . 33 LYS CG . 15608 1 402 . 1 1 33 33 LYS N N 15 117.281 0.02 . 1 . . . . 33 LYS N . 15608 1 403 . 1 1 34 34 TYR H H 1 7.912 0.001 . 1 . . . . 34 TYR H . 15608 1 404 . 1 1 34 34 TYR HA H 1 3.952 0.02 . 1 . . . . 34 TYR HA . 15608 1 405 . 1 1 34 34 TYR HB2 H 1 3.298 0.001 . 1 . . . . 34 TYR HB2 . 15608 1 406 . 1 1 34 34 TYR HB3 H 1 2.881 0.001 . 1 . . . . 34 TYR HB3 . 15608 1 407 . 1 1 34 34 TYR HD1 H 1 7.210 0.003 . 1 . . . . 34 TYR HD1 . 15608 1 408 . 1 1 34 34 TYR HD2 H 1 7.210 0.003 . 1 . . . . 34 TYR HD2 . 15608 1 409 . 1 1 34 34 TYR HE1 H 1 6.724 0.007 . 1 . . . . 34 TYR HE1 . 15608 1 410 . 1 1 34 34 TYR HE2 H 1 6.724 0.007 . 1 . . . . 34 TYR HE2 . 15608 1 411 . 1 1 34 34 TYR C C 13 177.881 0.02 . 1 . . . . 34 TYR C . 15608 1 412 . 1 1 34 34 TYR CA C 13 63.201 0.02 . 1 . . . . 34 TYR CA . 15608 1 413 . 1 1 34 34 TYR CB C 13 38.452 0.02 . 1 . . . . 34 TYR CB . 15608 1 414 . 1 1 34 34 TYR CD1 C 13 132.540 0.02 . 1 . . . . 34 TYR CD1 . 15608 1 415 . 1 1 34 34 TYR CE1 C 13 118.350 0.02 . 1 . . . . 34 TYR CE1 . 15608 1 416 . 1 1 34 34 TYR N N 15 119.735 0.02 . 1 . . . . 34 TYR N . 15608 1 417 . 1 1 35 35 ILE H H 1 8.597 0.02 . 1 . . . . 35 ILE H . 15608 1 418 . 1 1 35 35 ILE HA H 1 3.446 0.003 . 1 . . . . 35 ILE HA . 15608 1 419 . 1 1 35 35 ILE HB H 1 1.727 0.003 . 1 . . . . 35 ILE HB . 15608 1 420 . 1 1 35 35 ILE HD11 H 1 0.612 0.02 . 1 . . . . 35 ILE HD1 . 15608 1 421 . 1 1 35 35 ILE HD12 H 1 0.612 0.02 . 1 . . . . 35 ILE HD1 . 15608 1 422 . 1 1 35 35 ILE HD13 H 1 0.612 0.02 . 1 . . . . 35 ILE HD1 . 15608 1 423 . 1 1 35 35 ILE HG12 H 1 1.607 0.002 . 2 . . . . 35 ILE HG12 . 15608 1 424 . 1 1 35 35 ILE HG13 H 1 0.128 0.003 . 2 . . . . 35 ILE HG13 . 15608 1 425 . 1 1 35 35 ILE HG21 H 1 0.741 0.001 . 1 . . . . 35 ILE HG2 . 15608 1 426 . 1 1 35 35 ILE HG22 H 1 0.741 0.001 . 1 . . . . 35 ILE HG2 . 15608 1 427 . 1 1 35 35 ILE HG23 H 1 0.741 0.001 . 1 . . . . 35 ILE HG2 . 15608 1 428 . 1 1 35 35 ILE C C 13 177.416 0.02 . 1 . . . . 35 ILE C . 15608 1 429 . 1 1 35 35 ILE CA C 13 66.244 0.02 . 1 . . . . 35 ILE CA . 15608 1 430 . 1 1 35 35 ILE CB C 13 37.946 0.02 . 1 . . . . 35 ILE CB . 15608 1 431 . 1 1 35 35 ILE CD1 C 13 14.174 0.02 . 1 . . . . 35 ILE CD1 . 15608 1 432 . 1 1 35 35 ILE CG1 C 13 28.939 0.02 . 1 . . . . 35 ILE CG1 . 15608 1 433 . 1 1 35 35 ILE CG2 C 13 16.999 0.02 . 1 . . . . 35 ILE CG2 . 15608 1 434 . 1 1 35 35 ILE N N 15 120.643 0.02 . 1 . . . . 35 ILE N . 15608 1 435 . 1 1 36 36 GLU H H 1 8.012 0.001 . 1 . . . . 36 GLU H . 15608 1 436 . 1 1 36 36 GLU HA H 1 3.934 0.02 . 1 . . . . 36 GLU HA . 15608 1 437 . 1 1 36 36 GLU HB2 H 1 2.067 0.001 . 1 . . . . 36 GLU HB2 . 15608 1 438 . 1 1 36 36 GLU HB3 H 1 2.082 0.02 . 1 . . . . 36 GLU HB3 . 15608 1 439 . 1 1 36 36 GLU HG2 H 1 2.264 0.02 . 2 . . . . 36 GLU HG2 . 15608 1 440 . 1 1 36 36 GLU HG3 H 1 2.355 0.02 . 2 . . . . 36 GLU HG3 . 15608 1 441 . 1 1 36 36 GLU C C 13 179.743 0.02 . 1 . . . . 36 GLU C . 15608 1 442 . 1 1 36 36 GLU CA C 13 59.329 0.02 . 1 . . . . 36 GLU CA . 15608 1 443 . 1 1 36 36 GLU CB C 13 29.131 0.02 . 1 . . . . 36 GLU CB . 15608 1 444 . 1 1 36 36 GLU CG C 13 36.010 0.02 . 1 . . . . 36 GLU CG . 15608 1 445 . 1 1 36 36 GLU N N 15 118.532 0.02 . 1 . . . . 36 GLU N . 15608 1 446 . 1 1 37 37 LEU H H 1 7.780 0.02 . 1 . . . . 37 LEU H . 15608 1 447 . 1 1 37 37 LEU HA H 1 4.158 0.002 . 1 . . . . 37 LEU HA . 15608 1 448 . 1 1 37 37 LEU HB2 H 1 1.732 0.001 . 2 . . . . 37 LEU HB2 . 15608 1 449 . 1 1 37 37 LEU HB3 H 1 1.731 0.02 . 2 . . . . 37 LEU HB3 . 15608 1 450 . 1 1 37 37 LEU HD11 H 1 0.747 0.002 . 2 . . . . 37 LEU HD1 . 15608 1 451 . 1 1 37 37 LEU HD12 H 1 0.747 0.002 . 2 . . . . 37 LEU HD1 . 15608 1 452 . 1 1 37 37 LEU HD13 H 1 0.747 0.002 . 2 . . . . 37 LEU HD1 . 15608 1 453 . 1 1 37 37 LEU HD21 H 1 0.622 0.02 . 2 . . . . 37 LEU HD2 . 15608 1 454 . 1 1 37 37 LEU HD22 H 1 0.622 0.02 . 2 . . . . 37 LEU HD2 . 15608 1 455 . 1 1 37 37 LEU HD23 H 1 0.622 0.02 . 2 . . . . 37 LEU HD2 . 15608 1 456 . 1 1 37 37 LEU HG H 1 1.620 0.002 . 1 . . . . 37 LEU HG . 15608 1 457 . 1 1 37 37 LEU C C 13 179.960 0.02 . 1 . . . . 37 LEU C . 15608 1 458 . 1 1 37 37 LEU CA C 13 57.542 0.02 . 1 . . . . 37 LEU CA . 15608 1 459 . 1 1 37 37 LEU CB C 13 42.026 0.02 . 1 . . . . 37 LEU CB . 15608 1 460 . 1 1 37 37 LEU CD1 C 13 23.836 0.02 . 1 . . . . 37 LEU CD1 . 15608 1 461 . 1 1 37 37 LEU CD2 C 13 25.227 0.02 . 1 . . . . 37 LEU CD2 . 15608 1 462 . 1 1 37 37 LEU CG C 13 27.208 0.02 . 1 . . . . 37 LEU CG . 15608 1 463 . 1 1 37 37 LEU N N 15 120.249 0.02 . 1 . . . . 37 LEU N . 15608 1 464 . 1 1 38 38 ALA H H 1 8.826 0.02 . 1 . . . . 38 ALA H . 15608 1 465 . 1 1 38 38 ALA HA H 1 3.838 0.02 . 1 . . . . 38 ALA HA . 15608 1 466 . 1 1 38 38 ALA HB1 H 1 0.953 0.02 . 1 . . . . 38 ALA HB . 15608 1 467 . 1 1 38 38 ALA HB2 H 1 0.953 0.02 . 1 . . . . 38 ALA HB . 15608 1 468 . 1 1 38 38 ALA HB3 H 1 0.953 0.02 . 1 . . . . 38 ALA HB . 15608 1 469 . 1 1 38 38 ALA C C 13 179.216 0.02 . 1 . . . . 38 ALA C . 15608 1 470 . 1 1 38 38 ALA CA C 13 56.291 0.02 . 1 . . . . 38 ALA CA . 15608 1 471 . 1 1 38 38 ALA CB C 13 18.926 0.02 . 1 . . . . 38 ALA CB . 15608 1 472 . 1 1 38 38 ALA N N 15 123.908 0.02 . 1 . . . . 38 ALA N . 15608 1 473 . 1 1 39 39 LYS H H 1 8.511 0.02 . 1 . . . . 39 LYS H . 15608 1 474 . 1 1 39 39 LYS HA H 1 4.289 0.003 . 1 . . . . 39 LYS HA . 15608 1 475 . 1 1 39 39 LYS HB2 H 1 1.858 0.02 . 2 . . . . 39 LYS HB2 . 15608 1 476 . 1 1 39 39 LYS HB3 H 1 1.801 0.02 . 2 . . . . 39 LYS HB3 . 15608 1 477 . 1 1 39 39 LYS HD2 H 1 1.698 0.001 . 2 . . . . 39 LYS HD2 . 15608 1 478 . 1 1 39 39 LYS HD3 H 1 1.709 0.02 . 2 . . . . 39 LYS HD3 . 15608 1 479 . 1 1 39 39 LYS HE2 H 1 2.980 0.004 . 2 . . . . 39 LYS HE2 . 15608 1 480 . 1 1 39 39 LYS HE3 H 1 3.021 0.02 . 2 . . . . 39 LYS HE3 . 15608 1 481 . 1 1 39 39 LYS HG2 H 1 1.612 0.005 . 2 . . . . 39 LYS HG2 . 15608 1 482 . 1 1 39 39 LYS HG3 H 1 1.468 0.02 . 2 . . . . 39 LYS HG3 . 15608 1 483 . 1 1 39 39 LYS C C 13 178.471 0.02 . 1 . . . . 39 LYS C . 15608 1 484 . 1 1 39 39 LYS CA C 13 58.138 0.02 . 1 . . . . 39 LYS CA . 15608 1 485 . 1 1 39 39 LYS CB C 13 32.705 0.02 . 1 . . . . 39 LYS CB . 15608 1 486 . 1 1 39 39 LYS CD C 13 29.824 0.02 . 1 . . . . 39 LYS CD . 15608 1 487 . 1 1 39 39 LYS CE C 13 42.139 0.02 . 1 . . . . 39 LYS CE . 15608 1 488 . 1 1 39 39 LYS CG C 13 26.643 0.02 . 1 . . . . 39 LYS CG . 15608 1 489 . 1 1 39 39 LYS N N 15 116.835 0.02 . 1 . . . . 39 LYS N . 15608 1 490 . 1 1 40 40 SER H H 1 7.844 0.001 . 1 . . . . 40 SER H . 15608 1 491 . 1 1 40 40 SER HA H 1 4.257 0.02 . 1 . . . . 40 SER HA . 15608 1 492 . 1 1 40 40 SER HB2 H 1 4.042 0.02 . 2 . . . . 40 SER HB2 . 15608 1 493 . 1 1 40 40 SER HB3 H 1 4.071 0.02 . 2 . . . . 40 SER HB3 . 15608 1 494 . 1 1 40 40 SER C C 13 175.368 0.02 . 1 . . . . 40 SER C . 15608 1 495 . 1 1 40 40 SER CA C 13 60.680 0.02 . 1 . . . . 40 SER CA . 15608 1 496 . 1 1 40 40 SER CB C 13 62.801 0.02 . 1 . . . . 40 SER CB . 15608 1 497 . 1 1 40 40 SER N N 15 114.479 0.02 . 1 . . . . 40 SER N . 15608 1 498 . 1 1 41 41 VAL H H 1 7.461 0.02 . 1 . . . . 41 VAL H . 15608 1 499 . 1 1 41 41 VAL HA H 1 3.949 0.02 . 1 . . . . 41 VAL HA . 15608 1 500 . 1 1 41 41 VAL HB H 1 2.317 0.02 . 1 . . . . 41 VAL HB . 15608 1 501 . 1 1 41 41 VAL HG11 H 1 0.935 0.004 . 1 . . . . 41 VAL HG1 . 15608 1 502 . 1 1 41 41 VAL HG12 H 1 0.935 0.004 . 1 . . . . 41 VAL HG1 . 15608 1 503 . 1 1 41 41 VAL HG13 H 1 0.935 0.004 . 1 . . . . 41 VAL HG1 . 15608 1 504 . 1 1 41 41 VAL HG21 H 1 1.033 0.001 . 1 . . . . 41 VAL HG2 . 15608 1 505 . 1 1 41 41 VAL HG22 H 1 1.033 0.001 . 1 . . . . 41 VAL HG2 . 15608 1 506 . 1 1 41 41 VAL HG23 H 1 1.033 0.001 . 1 . . . . 41 VAL HG2 . 15608 1 507 . 1 1 41 41 VAL C C 13 175.709 0.02 . 1 . . . . 41 VAL C . 15608 1 508 . 1 1 41 41 VAL CA C 13 64.154 0.02 . 1 . . . . 41 VAL CA . 15608 1 509 . 1 1 41 41 VAL CB C 13 32.332 0.02 . 1 . . . . 41 VAL CB . 15608 1 510 . 1 1 41 41 VAL CG1 C 13 21.892 0.02 . 1 . . . . 41 VAL CG1 . 15608 1 511 . 1 1 41 41 VAL CG2 C 13 22.344 0.02 . 1 . . . . 41 VAL CG2 . 15608 1 512 . 1 1 41 41 VAL N N 15 122.008 0.02 . 1 . . . . 41 VAL N . 15608 1 513 . 1 1 42 42 CYS H H 1 8.379 0.002 . 1 . . . . 42 CYS H . 15608 1 514 . 1 1 42 42 CYS HA H 1 4.652 0.002 . 1 . . . . 42 CYS HA . 15608 1 515 . 1 1 42 42 CYS HB2 H 1 2.810 0.003 . 1 . . . . 42 CYS HB2 . 15608 1 516 . 1 1 42 42 CYS HB3 H 1 2.906 0.002 . 1 . . . . 42 CYS HB3 . 15608 1 517 . 1 1 42 42 CYS C C 13 173.599 0.02 . 1 . . . . 42 CYS C . 15608 1 518 . 1 1 42 42 CYS CA C 13 57.244 0.02 . 1 . . . . 42 CYS CA . 15608 1 519 . 1 1 42 42 CYS CB C 13 29.886 0.02 . 1 . . . . 42 CYS CB . 15608 1 520 . 1 1 42 42 CYS N N 15 121.409 0.02 . 1 . . . . 42 CYS N . 15608 1 521 . 1 1 43 43 ALA H H 1 9.171 0.001 . 1 . . . . 43 ALA H . 15608 1 522 . 1 1 43 43 ALA HA H 1 4.293 0.02 . 1 . . . . 43 ALA HA . 15608 1 523 . 1 1 43 43 ALA HB1 H 1 1.501 0.003 . 1 . . . . 43 ALA HB . 15608 1 524 . 1 1 43 43 ALA HB2 H 1 1.501 0.003 . 1 . . . . 43 ALA HB . 15608 1 525 . 1 1 43 43 ALA HB3 H 1 1.501 0.003 . 1 . . . . 43 ALA HB . 15608 1 526 . 1 1 43 43 ALA C C 13 179.247 0.02 . 1 . . . . 43 ALA C . 15608 1 527 . 1 1 43 43 ALA CA C 13 55.339 0.02 . 1 . . . . 43 ALA CA . 15608 1 528 . 1 1 43 43 ALA CB C 13 17.873 0.02 . 1 . . . . 43 ALA CB . 15608 1 529 . 1 1 43 43 ALA N N 15 132.821 0.02 . 1 . . . . 43 ALA N . 15608 1 530 . 1 1 44 44 GLY H H 1 8.371 0.02 . 1 . . . . 44 GLY H . 15608 1 531 . 1 1 44 44 GLY HA2 H 1 4.346 0.003 . 1 . . . . 44 GLY HA2 . 15608 1 532 . 1 1 44 44 GLY HA3 H 1 3.643 0.02 . 1 . . . . 44 GLY HA3 . 15608 1 533 . 1 1 44 44 GLY C C 13 174.530 0.02 . 1 . . . . 44 GLY C . 15608 1 534 . 1 1 44 44 GLY CA C 13 44.513 0.02 . 1 . . . . 44 GLY CA . 15608 1 535 . 1 1 44 44 GLY N N 15 105.214 0.02 . 1 . . . . 44 GLY N . 15608 1 536 . 1 1 45 45 VAL H H 1 7.502 0.003 . 1 . . . . 45 VAL H . 15608 1 537 . 1 1 45 45 VAL HA H 1 3.921 0.001 . 1 . . . . 45 VAL HA . 15608 1 538 . 1 1 45 45 VAL HB H 1 2.123 0.02 . 1 . . . . 45 VAL HB . 15608 1 539 . 1 1 45 45 VAL HG11 H 1 0.854 0.02 . 1 . . . . 45 VAL HG1 . 15608 1 540 . 1 1 45 45 VAL HG12 H 1 0.854 0.02 . 1 . . . . 45 VAL HG1 . 15608 1 541 . 1 1 45 45 VAL HG13 H 1 0.854 0.02 . 1 . . . . 45 VAL HG1 . 15608 1 542 . 1 1 45 45 VAL HG21 H 1 0.372 0.02 . 1 . . . . 45 VAL HG2 . 15608 1 543 . 1 1 45 45 VAL HG22 H 1 0.372 0.02 . 1 . . . . 45 VAL HG2 . 15608 1 544 . 1 1 45 45 VAL HG23 H 1 0.372 0.02 . 1 . . . . 45 VAL HG2 . 15608 1 545 . 1 1 45 45 VAL C C 13 172.544 0.02 . 1 . . . . 45 VAL C . 15608 1 546 . 1 1 45 45 VAL CA C 13 62.069 0.02 . 1 . . . . 45 VAL CA . 15608 1 547 . 1 1 45 45 VAL CB C 13 31.692 0.02 . 1 . . . . 45 VAL CB . 15608 1 548 . 1 1 45 45 VAL CG1 C 13 19.627 0.02 . 1 . . . . 45 VAL CG1 . 15608 1 549 . 1 1 45 45 VAL CG2 C 13 22.152 0.02 . 1 . . . . 45 VAL CG2 . 15608 1 550 . 1 1 45 45 VAL N N 15 122.531 0.02 . 1 . . . . 45 VAL N . 15608 1 551 . 1 1 46 46 GLU H H 1 7.645 0.002 . 1 . . . . 46 GLU H . 15608 1 552 . 1 1 46 46 GLU HA H 1 4.774 0.02 . 1 . . . . 46 GLU HA . 15608 1 553 . 1 1 46 46 GLU HB2 H 1 1.708 0.006 . 2 . . . . 46 GLU HB2 . 15608 1 554 . 1 1 46 46 GLU HB3 H 1 1.895 0.005 . 2 . . . . 46 GLU HB3 . 15608 1 555 . 1 1 46 46 GLU HG2 H 1 2.112 0.02 . 2 . . . . 46 GLU HG2 . 15608 1 556 . 1 1 46 46 GLU HG3 H 1 2.298 0.02 . 2 . . . . 46 GLU HG3 . 15608 1 557 . 1 1 46 46 GLU C C 13 174.623 0.02 . 1 . . . . 46 GLU C . 15608 1 558 . 1 1 46 46 GLU CA C 13 53.849 0.02 . 1 . . . . 46 GLU CA . 15608 1 559 . 1 1 46 46 GLU CB C 13 33.181 0.02 . 1 . . . . 46 GLU CB . 15608 1 560 . 1 1 46 46 GLU CG C 13 36.010 0.02 . 1 . . . . 46 GLU CG . 15608 1 561 . 1 1 46 46 GLU N N 15 125.964 0.02 . 1 . . . . 46 GLU N . 15608 1 562 . 1 1 47 47 TYR H H 1 8.188 0.001 . 1 . . . . 47 TYR H . 15608 1 563 . 1 1 47 47 TYR HA H 1 5.592 0.02 . 1 . . . . 47 TYR HA . 15608 1 564 . 1 1 47 47 TYR HB2 H 1 1.845 0.009 . 2 . . . . 47 TYR HB2 . 15608 1 565 . 1 1 47 47 TYR HB3 H 1 2.483 0.02 . 2 . . . . 47 TYR HB3 . 15608 1 566 . 1 1 47 47 TYR HD1 H 1 6.450 0.02 . 1 . . . . 47 TYR HD1 . 15608 1 567 . 1 1 47 47 TYR HD2 H 1 6.450 0.02 . 1 . . . . 47 TYR HD2 . 15608 1 568 . 1 1 47 47 TYR HE1 H 1 6.639 0.005 . 1 . . . . 47 TYR HE1 . 15608 1 569 . 1 1 47 47 TYR HE2 H 1 6.639 0.005 . 1 . . . . 47 TYR HE2 . 15608 1 570 . 1 1 47 47 TYR C C 13 174.344 0.02 . 1 . . . . 47 TYR C . 15608 1 571 . 1 1 47 47 TYR CA C 13 55.150 0.02 . 1 . . . . 47 TYR CA . 15608 1 572 . 1 1 47 47 TYR CB C 13 41.148 0.02 . 1 . . . . 47 TYR CB . 15608 1 573 . 1 1 47 47 TYR CD1 C 13 132.637 0.02 . 1 . . . . 47 TYR CD1 . 15608 1 574 . 1 1 47 47 TYR CE1 C 13 117.625 0.02 . 1 . . . . 47 TYR CE1 . 15608 1 575 . 1 1 47 47 TYR N N 15 116.781 0.02 . 1 . . . . 47 TYR N . 15608 1 576 . 1 1 48 48 ASN H H 1 8.603 0.003 . 1 . . . . 48 ASN H . 15608 1 577 . 1 1 48 48 ASN HA H 1 4.937 0.002 . 1 . . . . 48 ASN HA . 15608 1 578 . 1 1 48 48 ASN HB2 H 1 2.026 0.002 . 1 . . . . 48 ASN HB2 . 15608 1 579 . 1 1 48 48 ASN HB3 H 1 2.711 0.02 . 1 . . . . 48 ASN HB3 . 15608 1 580 . 1 1 48 48 ASN HD21 H 1 7.026 0.004 . 2 . . . . 48 ASN HD21 . 15608 1 581 . 1 1 48 48 ASN HD22 H 1 6.912 0.004 . 2 . . . . 48 ASN HD22 . 15608 1 582 . 1 1 48 48 ASN C C 13 172.668 0.02 . 1 . . . . 48 ASN C . 15608 1 583 . 1 1 48 48 ASN CA C 13 50.917 0.02 . 1 . . . . 48 ASN CA . 15608 1 584 . 1 1 48 48 ASN CB C 13 44.083 0.02 . 1 . . . . 48 ASN CB . 15608 1 585 . 1 1 48 48 ASN N N 15 118.394 0.02 . 1 . . . . 48 ASN N . 15608 1 586 . 1 1 48 48 ASN ND2 N 15 109.317 0.02 . 1 . . . . 48 ASN ND2 . 15608 1 587 . 1 1 49 49 VAL H H 1 8.615 0.001 . 1 . . . . 49 VAL H . 15608 1 588 . 1 1 49 49 VAL HA H 1 4.787 0.002 . 1 . . . . 49 VAL HA . 15608 1 589 . 1 1 49 49 VAL HB H 1 1.978 0.02 . 1 . . . . 49 VAL HB . 15608 1 590 . 1 1 49 49 VAL HG11 H 1 0.985 0.02 . 2 . . . . 49 VAL HG1 . 15608 1 591 . 1 1 49 49 VAL HG12 H 1 0.985 0.02 . 2 . . . . 49 VAL HG1 . 15608 1 592 . 1 1 49 49 VAL HG13 H 1 0.985 0.02 . 2 . . . . 49 VAL HG1 . 15608 1 593 . 1 1 49 49 VAL HG21 H 1 1.195 0.02 . 2 . . . . 49 VAL HG2 . 15608 1 594 . 1 1 49 49 VAL HG22 H 1 1.195 0.02 . 2 . . . . 49 VAL HG2 . 15608 1 595 . 1 1 49 49 VAL HG23 H 1 1.195 0.02 . 2 . . . . 49 VAL HG2 . 15608 1 596 . 1 1 49 49 VAL C C 13 175.306 0.02 . 1 . . . . 49 VAL C . 15608 1 597 . 1 1 49 49 VAL CA C 13 60.759 0.02 . 1 . . . . 49 VAL CA . 15608 1 598 . 1 1 49 49 VAL CB C 13 34.968 0.02 . 1 . . . . 49 VAL CB . 15608 1 599 . 1 1 49 49 VAL CG1 C 13 21.380 0.02 . 1 . . . . 49 VAL CG1 . 15608 1 600 . 1 1 49 49 VAL CG2 C 13 21.970 0.02 . 1 . . . . 49 VAL CG2 . 15608 1 601 . 1 1 49 49 VAL N N 15 119.972 0.02 . 1 . . . . 49 VAL N . 15608 1 602 . 1 1 50 50 SER H H 1 8.649 0.001 . 1 . . . . 50 SER H . 15608 1 603 . 1 1 50 50 SER HA H 1 4.284 0.02 . 1 . . . . 50 SER HA . 15608 1 604 . 1 1 50 50 SER HB2 H 1 4.019 0.001 . 2 . . . . 50 SER HB2 . 15608 1 605 . 1 1 50 50 SER HB3 H 1 4.210 0.02 . 2 . . . . 50 SER HB3 . 15608 1 606 . 1 1 50 50 SER C C 13 172.513 0.02 . 1 . . . . 50 SER C . 15608 1 607 . 1 1 50 50 SER CA C 13 58.956 0.02 . 1 . . . . 50 SER CA . 15608 1 608 . 1 1 50 50 SER CB C 13 63.849 0.02 . 1 . . . . 50 SER CB . 15608 1 609 . 1 1 50 50 SER N N 15 122.312 0.02 . 1 . . . . 50 SER N . 15608 1 610 . 1 1 51 51 GLU H H 1 8.342 0.02 . 1 . . . . 51 GLU H . 15608 1 611 . 1 1 51 51 GLU HA H 1 4.063 0.02 . 1 . . . . 51 GLU HA . 15608 1 612 . 1 1 51 51 GLU HB2 H 1 1.940 0.02 . 2 . . . . 51 GLU HB2 . 15608 1 613 . 1 1 51 51 GLU HB3 H 1 1.952 0.02 . 2 . . . . 51 GLU HB3 . 15608 1 614 . 1 1 51 51 GLU HG2 H 1 2.292 0.001 . 2 . . . . 51 GLU HG2 . 15608 1 615 . 1 1 51 51 GLU HG3 H 1 2.176 0.02 . 2 . . . . 51 GLU HG3 . 15608 1 616 . 1 1 51 51 GLU C C 13 176.454 0.02 . 1 . . . . 51 GLU C . 15608 1 617 . 1 1 51 51 GLU CA C 13 57.185 0.02 . 1 . . . . 51 GLU CA . 15608 1 618 . 1 1 51 51 GLU CB C 13 30.158 0.02 . 1 . . . . 51 GLU CB . 15608 1 619 . 1 1 51 51 GLU CG C 13 36.002 0.02 . 1 . . . . 51 GLU CG . 15608 1 620 . 1 1 51 51 GLU N N 15 118.742 0.02 . 1 . . . . 51 GLU N . 15608 1 621 . 1 1 52 52 LEU H H 1 8.599 0.003 . 1 . . . . 52 LEU H . 15608 1 622 . 1 1 52 52 LEU HA H 1 4.820 0.02 . 1 . . . . 52 LEU HA . 15608 1 623 . 1 1 52 52 LEU HB2 H 1 1.650 0.02 . 2 . . . . 52 LEU HB2 . 15608 1 624 . 1 1 52 52 LEU HB3 H 1 1.464 0.02 . 2 . . . . 52 LEU HB3 . 15608 1 625 . 1 1 52 52 LEU HD11 H 1 0.889 0.003 . 2 . . . . 52 LEU HD1 . 15608 1 626 . 1 1 52 52 LEU HD12 H 1 0.889 0.003 . 2 . . . . 52 LEU HD1 . 15608 1 627 . 1 1 52 52 LEU HD13 H 1 0.889 0.003 . 2 . . . . 52 LEU HD1 . 15608 1 628 . 1 1 52 52 LEU HD21 H 1 0.912 0.005 . 2 . . . . 52 LEU HD2 . 15608 1 629 . 1 1 52 52 LEU HD22 H 1 0.912 0.005 . 2 . . . . 52 LEU HD2 . 15608 1 630 . 1 1 52 52 LEU HD23 H 1 0.912 0.005 . 2 . . . . 52 LEU HD2 . 15608 1 631 . 1 1 52 52 LEU HG H 1 1.664 0.02 . 1 . . . . 52 LEU HG . 15608 1 632 . 1 1 52 52 LEU C C 13 176.609 0.02 . 1 . . . . 52 LEU C . 15608 1 633 . 1 1 52 52 LEU CA C 13 53.670 0.02 . 1 . . . . 52 LEU CA . 15608 1 634 . 1 1 52 52 LEU CB C 13 44.211 0.02 . 1 . . . . 52 LEU CB . 15608 1 635 . 1 1 52 52 LEU CD1 C 13 25.168 0.02 . 1 . . . . 52 LEU CD1 . 15608 1 636 . 1 1 52 52 LEU CD2 C 13 25.438 0.02 . 1 . . . . 52 LEU CD2 . 15608 1 637 . 1 1 52 52 LEU CG C 13 26.770 0.02 . 1 . . . . 52 LEU CG . 15608 1 638 . 1 1 52 52 LEU N N 15 126.981 0.02 . 1 . . . . 52 LEU N . 15608 1 639 . 1 1 53 53 THR H H 1 9.009 0.004 . 1 . . . . 53 THR H . 15608 1 640 . 1 1 53 53 THR HA H 1 4.767 0.02 . 1 . . . . 53 THR HA . 15608 1 641 . 1 1 53 53 THR HB H 1 4.593 0.001 . 1 . . . . 53 THR HB . 15608 1 642 . 1 1 53 53 THR HG21 H 1 1.152 0.004 . 1 . . . . 53 THR HG2 . 15608 1 643 . 1 1 53 53 THR HG22 H 1 1.152 0.004 . 1 . . . . 53 THR HG2 . 15608 1 644 . 1 1 53 53 THR HG23 H 1 1.152 0.004 . 1 . . . . 53 THR HG2 . 15608 1 645 . 1 1 53 53 THR C C 13 175.492 0.02 . 1 . . . . 53 THR C . 15608 1 646 . 1 1 53 53 THR CA C 13 59.765 0.02 . 1 . . . . 53 THR CA . 15608 1 647 . 1 1 53 53 THR CB C 13 71.778 0.02 . 1 . . . . 53 THR CB . 15608 1 648 . 1 1 53 53 THR CG2 C 13 21.042 0.02 . 1 . . . . 53 THR CG2 . 15608 1 649 . 1 1 53 53 THR N N 15 115.056 0.02 . 1 . . . . 53 THR N . 15608 1 650 . 1 1 54 54 GLU H H 1 8.883 0.02 . 1 . . . . 54 GLU H . 15608 1 651 . 1 1 54 54 GLU HA H 1 4.076 0.002 . 1 . . . . 54 GLU HA . 15608 1 652 . 1 1 54 54 GLU HB2 H 1 2.165 0.02 . 2 . . . . 54 GLU HB2 . 15608 1 653 . 1 1 54 54 GLU HB3 H 1 2.076 0.02 . 2 . . . . 54 GLU HB3 . 15608 1 654 . 1 1 54 54 GLU HG2 H 1 2.401 0.02 . 2 . . . . 54 GLU HG2 . 15608 1 655 . 1 1 54 54 GLU HG3 H 1 2.419 0.02 . 2 . . . . 54 GLU HG3 . 15608 1 656 . 1 1 54 54 GLU C C 13 177.509 0.02 . 1 . . . . 54 GLU C . 15608 1 657 . 1 1 54 54 GLU CA C 13 58.912 0.02 . 1 . . . . 54 GLU CA . 15608 1 658 . 1 1 54 54 GLU CB C 13 29.160 0.02 . 1 . . . . 54 GLU CB . 15608 1 659 . 1 1 54 54 GLU CG C 13 36.010 0.02 . 1 . . . . 54 GLU CG . 15608 1 660 . 1 1 54 54 GLU N N 15 118.271 0.02 . 1 . . . . 54 GLU N . 15608 1 661 . 1 1 55 55 GLU H H 1 8.096 0.002 . 1 . . . . 55 GLU H . 15608 1 662 . 1 1 55 55 GLU HA H 1 4.426 0.02 . 1 . . . . 55 GLU HA . 15608 1 663 . 1 1 55 55 GLU HB2 H 1 1.826 0.02 . 2 . . . . 55 GLU HB2 . 15608 1 664 . 1 1 55 55 GLU HB3 H 1 2.222 0.002 . 2 . . . . 55 GLU HB3 . 15608 1 665 . 1 1 55 55 GLU HG2 H 1 2.268 0.02 . 2 . . . . 55 GLU HG2 . 15608 1 666 . 1 1 55 55 GLU HG3 H 1 2.262 0.02 . 2 . . . . 55 GLU HG3 . 15608 1 667 . 1 1 55 55 GLU C C 13 176.578 0.02 . 1 . . . . 55 GLU C . 15608 1 668 . 1 1 55 55 GLU CA C 13 55.875 0.02 . 1 . . . . 55 GLU CA . 15608 1 669 . 1 1 55 55 GLU CB C 13 29.809 0.02 . 1 . . . . 55 GLU CB . 15608 1 670 . 1 1 55 55 GLU CG C 13 36.304 0.02 . 1 . . . . 55 GLU CG . 15608 1 671 . 1 1 55 55 GLU N N 15 115.294 0.02 . 1 . . . . 55 GLU N . 15608 1 672 . 1 1 56 56 SER H H 1 7.678 0.002 . 1 . . . . 56 SER H . 15608 1 673 . 1 1 56 56 SER HA H 1 4.193 0.02 . 1 . . . . 56 SER HA . 15608 1 674 . 1 1 56 56 SER HB2 H 1 3.812 0.001 . 2 . . . . 56 SER HB2 . 15608 1 675 . 1 1 56 56 SER HB3 H 1 3.960 0.001 . 2 . . . . 56 SER HB3 . 15608 1 676 . 1 1 56 56 SER C C 13 173.506 0.02 . 1 . . . . 56 SER C . 15608 1 677 . 1 1 56 56 SER CA C 13 61.712 0.02 . 1 . . . . 56 SER CA . 15608 1 678 . 1 1 56 56 SER CB C 13 64.477 0.02 . 1 . . . . 56 SER CB . 15608 1 679 . 1 1 56 56 SER N N 15 118.137 0.02 . 1 . . . . 56 SER N . 15608 1 680 . 1 1 57 57 LYS H H 1 8.659 0.001 . 1 . . . . 57 LYS H . 15608 1 681 . 1 1 57 57 LYS HA H 1 4.685 0.02 . 1 . . . . 57 LYS HA . 15608 1 682 . 1 1 57 57 LYS HB2 H 1 2.351 0.02 . 2 . . . . 57 LYS HB2 . 15608 1 683 . 1 1 57 57 LYS HB3 H 1 1.650 0.02 . 2 . . . . 57 LYS HB3 . 15608 1 684 . 1 1 57 57 LYS HD2 H 1 1.698 0.02 . 2 . . . . 57 LYS HD2 . 15608 1 685 . 1 1 57 57 LYS HD3 H 1 1.635 0.02 . 2 . . . . 57 LYS HD3 . 15608 1 686 . 1 1 57 57 LYS HE2 H 1 3.001 0.02 . 2 . . . . 57 LYS HE2 . 15608 1 687 . 1 1 57 57 LYS HE3 H 1 3.071 0.02 . 2 . . . . 57 LYS HE3 . 15608 1 688 . 1 1 57 57 LYS HG2 H 1 1.389 0.02 . 2 . . . . 57 LYS HG2 . 15608 1 689 . 1 1 57 57 LYS HG3 H 1 1.492 0.02 . 2 . . . . 57 LYS HG3 . 15608 1 690 . 1 1 57 57 LYS C C 13 174.778 0.02 . 1 . . . . 57 LYS C . 15608 1 691 . 1 1 57 57 LYS CA C 13 54.385 0.02 . 1 . . . . 57 LYS CA . 15608 1 692 . 1 1 57 57 LYS CB C 13 33.658 0.02 . 1 . . . . 57 LYS CB . 15608 1 693 . 1 1 57 57 LYS CD C 13 28.661 0.02 . 1 . . . . 57 LYS CD . 15608 1 694 . 1 1 57 57 LYS CE C 13 42.566 0.02 . 1 . . . . 57 LYS CE . 15608 1 695 . 1 1 57 57 LYS CG C 13 24.740 0.02 . 1 . . . . 57 LYS CG . 15608 1 696 . 1 1 57 57 LYS N N 15 120.135 0.02 . 1 . . . . 57 LYS N . 15608 1 697 . 1 1 58 58 GLU H H 1 7.472 0.02 . 1 . . . . 58 GLU H . 15608 1 698 . 1 1 58 58 GLU HA H 1 5.353 0.02 . 1 . . . . 58 GLU HA . 15608 1 699 . 1 1 58 58 GLU HB2 H 1 1.693 0.02 . 2 . . . . 58 GLU HB2 . 15608 1 700 . 1 1 58 58 GLU HB3 H 1 1.935 0.003 . 2 . . . . 58 GLU HB3 . 15608 1 701 . 1 1 58 58 GLU HG2 H 1 1.856 0.02 . 2 . . . . 58 GLU HG2 . 15608 1 702 . 1 1 58 58 GLU HG3 H 1 2.024 0.02 . 2 . . . . 58 GLU HG3 . 15608 1 703 . 1 1 58 58 GLU C C 13 174.313 0.02 . 1 . . . . 58 GLU C . 15608 1 704 . 1 1 58 58 GLU CA C 13 53.730 0.02 . 1 . . . . 58 GLU CA . 15608 1 705 . 1 1 58 58 GLU CB C 13 33.479 0.02 . 1 . . . . 58 GLU CB . 15608 1 706 . 1 1 58 58 GLU CG C 13 34.970 0.02 . 1 . . . . 58 GLU CG . 15608 1 707 . 1 1 58 58 GLU N N 15 116.493 0.02 . 1 . . . . 58 GLU N . 15608 1 708 . 1 1 59 59 LEU H H 1 8.693 0.004 . 1 . . . . 59 LEU H . 15608 1 709 . 1 1 59 59 LEU HA H 1 4.414 0.02 . 1 . . . . 59 LEU HA . 15608 1 710 . 1 1 59 59 LEU HB2 H 1 1.555 0.02 . 2 . . . . 59 LEU HB2 . 15608 1 711 . 1 1 59 59 LEU HB3 H 1 1.565 0.002 . 2 . . . . 59 LEU HB3 . 15608 1 712 . 1 1 59 59 LEU HD11 H 1 0.808 0.002 . 2 . . . . 59 LEU HD1 . 15608 1 713 . 1 1 59 59 LEU HD12 H 1 0.808 0.002 . 2 . . . . 59 LEU HD1 . 15608 1 714 . 1 1 59 59 LEU HD13 H 1 0.808 0.002 . 2 . . . . 59 LEU HD1 . 15608 1 715 . 1 1 59 59 LEU HD21 H 1 0.531 0.02 . 2 . . . . 59 LEU HD2 . 15608 1 716 . 1 1 59 59 LEU HD22 H 1 0.531 0.02 . 2 . . . . 59 LEU HD2 . 15608 1 717 . 1 1 59 59 LEU HD23 H 1 0.531 0.02 . 2 . . . . 59 LEU HD2 . 15608 1 718 . 1 1 59 59 LEU HG H 1 0.834 0.02 . 1 . . . . 59 LEU HG . 15608 1 719 . 1 1 59 59 LEU C C 13 174.313 0.02 . 1 . . . . 59 LEU C . 15608 1 720 . 1 1 59 59 LEU CA C 13 54.432 0.02 . 1 . . . . 59 LEU CA . 15608 1 721 . 1 1 59 59 LEU CB C 13 46.241 0.02 . 1 . . . . 59 LEU CB . 15608 1 722 . 1 1 59 59 LEU CD1 C 13 27.655 0.02 . 1 . . . . 59 LEU CD1 . 15608 1 723 . 1 1 59 59 LEU CD2 C 13 25.914 0.02 . 1 . . . . 59 LEU CD2 . 15608 1 724 . 1 1 59 59 LEU CG C 13 25.867 0.02 . 1 . . . . 59 LEU CG . 15608 1 725 . 1 1 59 59 LEU N N 15 121.608 0.02 . 1 . . . . 59 LEU N . 15608 1 726 . 1 1 60 60 THR H H 1 8.745 0.02 . 1 . . . . 60 THR H . 15608 1 727 . 1 1 60 60 THR HA H 1 5.323 0.02 . 1 . . . . 60 THR HA . 15608 1 728 . 1 1 60 60 THR HB H 1 3.925 0.003 . 1 . . . . 60 THR HB . 15608 1 729 . 1 1 60 60 THR HG21 H 1 1.165 0.002 . 1 . . . . 60 THR HG2 . 15608 1 730 . 1 1 60 60 THR HG22 H 1 1.165 0.002 . 1 . . . . 60 THR HG2 . 15608 1 731 . 1 1 60 60 THR HG23 H 1 1.165 0.002 . 1 . . . . 60 THR HG2 . 15608 1 732 . 1 1 60 60 THR C C 13 172.203 0.02 . 1 . . . . 60 THR C . 15608 1 733 . 1 1 60 60 THR CA C 13 61.334 0.02 . 1 . . . . 60 THR CA . 15608 1 734 . 1 1 60 60 THR CB C 13 71.330 0.02 . 1 . . . . 60 THR CB . 15608 1 735 . 1 1 60 60 THR CG2 C 13 21.188 0.02 . 1 . . . . 60 THR CG2 . 15608 1 736 . 1 1 60 60 THR N N 15 118.936 0.02 . 1 . . . . 60 THR N . 15608 1 737 . 1 1 61 61 ALA H H 1 9.263 0.02 . 1 . . . . 61 ALA H . 15608 1 738 . 1 1 61 61 ALA HA H 1 5.178 0.004 . 1 . . . . 61 ALA HA . 15608 1 739 . 1 1 61 61 ALA HB1 H 1 0.950 0.003 . 1 . . . . 61 ALA HB . 15608 1 740 . 1 1 61 61 ALA HB2 H 1 0.950 0.003 . 1 . . . . 61 ALA HB . 15608 1 741 . 1 1 61 61 ALA HB3 H 1 0.950 0.003 . 1 . . . . 61 ALA HB . 15608 1 742 . 1 1 61 61 ALA C C 13 173.537 0.02 . 1 . . . . 61 ALA C . 15608 1 743 . 1 1 61 61 ALA CA C 13 49.368 0.02 . 1 . . . . 61 ALA CA . 15608 1 744 . 1 1 61 61 ALA CB C 13 22.688 0.02 . 1 . . . . 61 ALA CB . 15608 1 745 . 1 1 61 61 ALA N N 15 128.971 0.02 . 1 . . . . 61 ALA N . 15608 1 746 . 1 1 62 62 ARG H H 1 8.298 0.001 . 1 . . . . 62 ARG H . 15608 1 747 . 1 1 62 62 ARG HA H 1 5.095 0.002 . 1 . . . . 62 ARG HA . 15608 1 748 . 1 1 62 62 ARG HB2 H 1 1.316 0.02 . 2 . . . . 62 ARG HB2 . 15608 1 749 . 1 1 62 62 ARG HB3 H 1 0.945 0.002 . 2 . . . . 62 ARG HB3 . 15608 1 750 . 1 1 62 62 ARG HD2 H 1 2.666 0.02 . 2 . . . . 62 ARG HD2 . 15608 1 751 . 1 1 62 62 ARG HD3 H 1 2.680 0.004 . 2 . . . . 62 ARG HD3 . 15608 1 752 . 1 1 62 62 ARG HG2 H 1 1.035 0.02 . 2 . . . . 62 ARG HG2 . 15608 1 753 . 1 1 62 62 ARG HG3 H 1 1.378 0.002 . 2 . . . . 62 ARG HG3 . 15608 1 754 . 1 1 62 62 ARG C C 13 174.034 0.02 . 1 . . . . 62 ARG C . 15608 1 755 . 1 1 62 62 ARG CA C 13 54.347 0.02 . 1 . . . . 62 ARG CA . 15608 1 756 . 1 1 62 62 ARG CB C 13 33.279 0.02 . 1 . . . . 62 ARG CB . 15608 1 757 . 1 1 62 62 ARG CD C 13 43.354 0.02 . 1 . . . . 62 ARG CD . 15608 1 758 . 1 1 62 62 ARG CG C 13 26.042 0.02 . 1 . . . . 62 ARG CG . 15608 1 759 . 1 1 62 62 ARG N N 15 122.768 0.02 . 1 . . . . 62 ARG N . 15608 1 760 . 1 1 63 63 PHE H H 1 9.361 0.02 . 1 . . . . 63 PHE H . 15608 1 761 . 1 1 63 63 PHE HA H 1 4.698 0.007 . 1 . . . . 63 PHE HA . 15608 1 762 . 1 1 63 63 PHE HB2 H 1 2.682 0.02 . 2 . . . . 63 PHE HB2 . 15608 1 763 . 1 1 63 63 PHE HB3 H 1 1.941 0.008 . 2 . . . . 63 PHE HB3 . 15608 1 764 . 1 1 63 63 PHE HD1 H 1 6.877 0.003 . 1 . . . . 63 PHE HD1 . 15608 1 765 . 1 1 63 63 PHE HD2 H 1 6.877 0.003 . 1 . . . . 63 PHE HD2 . 15608 1 766 . 1 1 63 63 PHE HE1 H 1 6.705 0.02 . 1 . . . . 63 PHE HE1 . 15608 1 767 . 1 1 63 63 PHE HE2 H 1 6.705 0.02 . 1 . . . . 63 PHE HE2 . 15608 1 768 . 1 1 63 63 PHE HZ H 1 6.591 0.02 . 1 . . . . 63 PHE HZ . 15608 1 769 . 1 1 63 63 PHE C C 13 173.165 0.02 . 1 . . . . 63 PHE C . 15608 1 770 . 1 1 63 63 PHE CA C 13 56.497 0.02 . 1 . . . . 63 PHE CA . 15608 1 771 . 1 1 63 63 PHE CB C 13 42.560 0.02 . 1 . . . . 63 PHE CB . 15608 1 772 . 1 1 63 63 PHE CD1 C 13 132.101 0.02 . 1 . . . . 63 PHE CD1 . 15608 1 773 . 1 1 63 63 PHE CE1 C 13 130.132 0.02 . 1 . . . . 63 PHE CE1 . 15608 1 774 . 1 1 63 63 PHE CZ C 13 127.360 0.02 . 1 . . . . 63 PHE CZ . 15608 1 775 . 1 1 63 63 PHE N N 15 123.001 0.02 . 1 . . . . 63 PHE N . 15608 1 776 . 1 1 64 64 LYS H H 1 9.243 0.02 . 1 . . . . 64 LYS H . 15608 1 777 . 1 1 64 64 LYS HA H 1 4.651 0.001 . 1 . . . . 64 LYS HA . 15608 1 778 . 1 1 64 64 LYS HB2 H 1 1.377 0.02 . 2 . . . . 64 LYS HB2 . 15608 1 779 . 1 1 64 64 LYS HB3 H 1 1.683 0.001 . 2 . . . . 64 LYS HB3 . 15608 1 780 . 1 1 64 64 LYS HD2 H 1 1.621 0.001 . 2 . . . . 64 LYS HD2 . 15608 1 781 . 1 1 64 64 LYS HD3 H 1 1.482 0.002 . 2 . . . . 64 LYS HD3 . 15608 1 782 . 1 1 64 64 LYS HE2 H 1 2.906 0.001 . 2 . . . . 64 LYS HE2 . 15608 1 783 . 1 1 64 64 LYS HE3 H 1 2.906 0.02 . 2 . . . . 64 LYS HE3 . 15608 1 784 . 1 1 64 64 LYS HG2 H 1 1.215 0.002 . 2 . . . . 64 LYS HG2 . 15608 1 785 . 1 1 64 64 LYS HG3 H 1 1.304 0.02 . 2 . . . . 64 LYS HG3 . 15608 1 786 . 1 1 64 64 LYS C C 13 174.685 0.02 . 1 . . . . 64 LYS C . 15608 1 787 . 1 1 64 64 LYS CA C 13 55.076 0.02 . 1 . . . . 64 LYS CA . 15608 1 788 . 1 1 64 64 LYS CB C 13 34.904 0.02 . 1 . . . . 64 LYS CB . 15608 1 789 . 1 1 64 64 LYS CD C 13 29.606 0.02 . 1 . . . . 64 LYS CD . 15608 1 790 . 1 1 64 64 LYS CE C 13 41.780 0.02 . 1 . . . . 64 LYS CE . 15608 1 791 . 1 1 64 64 LYS CG C 13 24.567 0.02 . 1 . . . . 64 LYS CG . 15608 1 792 . 1 1 64 64 LYS N N 15 122.768 0.02 . 1 . . . . 64 LYS N . 15608 1 793 . 1 1 65 65 PHE H H 1 8.657 0.02 . 1 . . . . 65 PHE H . 15608 1 794 . 1 1 65 65 PHE HA H 1 4.431 0.002 . 1 . . . . 65 PHE HA . 15608 1 795 . 1 1 65 65 PHE HB2 H 1 2.867 0.001 . 2 . . . . 65 PHE HB2 . 15608 1 796 . 1 1 65 65 PHE HB3 H 1 4.000 0.02 . 2 . . . . 65 PHE HB3 . 15608 1 797 . 1 1 65 65 PHE HD1 H 1 7.214 0.02 . 1 . . . . 65 PHE HD1 . 15608 1 798 . 1 1 65 65 PHE HD2 H 1 7.214 0.02 . 1 . . . . 65 PHE HD2 . 15608 1 799 . 1 1 65 65 PHE HE1 H 1 6.956 0.02 . 1 . . . . 65 PHE HE1 . 15608 1 800 . 1 1 65 65 PHE HE2 H 1 6.956 0.02 . 1 . . . . 65 PHE HE2 . 15608 1 801 . 1 1 65 65 PHE HZ H 1 5.456 0.003 . 1 . . . . 65 PHE HZ . 15608 1 802 . 1 1 65 65 PHE C C 13 173.382 0.02 . 1 . . . . 65 PHE C . 15608 1 803 . 1 1 65 65 PHE CA C 13 58.410 0.02 . 1 . . . . 65 PHE CA . 15608 1 804 . 1 1 65 65 PHE CB C 13 39.495 0.02 . 1 . . . . 65 PHE CB . 15608 1 805 . 1 1 65 65 PHE CD1 C 13 131.617 0.02 . 1 . . . . 65 PHE CD1 . 15608 1 806 . 1 1 65 65 PHE CE1 C 13 130.315 0.02 . 1 . . . . 65 PHE CE1 . 15608 1 807 . 1 1 65 65 PHE CZ C 13 128.286 0.02 . 1 . . . . 65 PHE CZ . 15608 1 808 . 1 1 65 65 PHE N N 15 128.274 0.02 . 1 . . . . 65 PHE N . 15608 1 809 . 1 1 66 66 GLU H H 1 8.347 0.001 . 1 . . . . 66 GLU H . 15608 1 810 . 1 1 66 66 GLU HA H 1 4.197 0.02 . 1 . . . . 66 GLU HA . 15608 1 811 . 1 1 66 66 GLU HB2 H 1 2.158 0.02 . 2 . . . . 66 GLU HB2 . 15608 1 812 . 1 1 66 66 GLU HB3 H 1 2.451 0.02 . 2 . . . . 66 GLU HB3 . 15608 1 813 . 1 1 66 66 GLU HG2 H 1 2.357 0.02 . 2 . . . . 66 GLU HG2 . 15608 1 814 . 1 1 66 66 GLU HG3 H 1 2.271 0.02 . 2 . . . . 66 GLU HG3 . 15608 1 815 . 1 1 66 66 GLU C C 13 177.819 0.02 . 1 . . . . 66 GLU C . 15608 1 816 . 1 1 66 66 GLU CA C 13 59.270 0.02 . 1 . . . . 66 GLU CA . 15608 1 817 . 1 1 66 66 GLU CB C 13 30.054 0.02 . 1 . . . . 66 GLU CB . 15608 1 818 . 1 1 66 66 GLU CG C 13 37.079 0.02 . 1 . . . . 66 GLU CG . 15608 1 819 . 1 1 66 66 GLU N N 15 118.575 0.02 . 1 . . . . 66 GLU N . 15608 1 820 . 1 1 67 67 VAL H H 1 7.865 0.003 . 1 . . . . 67 VAL H . 15608 1 821 . 1 1 67 67 VAL HA H 1 4.863 0.002 . 1 . . . . 67 VAL HA . 15608 1 822 . 1 1 67 67 VAL HB H 1 2.491 0.001 . 1 . . . . 67 VAL HB . 15608 1 823 . 1 1 67 67 VAL HG11 H 1 1.013 0.003 . 2 . . . . 67 VAL HG1 . 15608 1 824 . 1 1 67 67 VAL HG12 H 1 1.013 0.003 . 2 . . . . 67 VAL HG1 . 15608 1 825 . 1 1 67 67 VAL HG13 H 1 1.013 0.003 . 2 . . . . 67 VAL HG1 . 15608 1 826 . 1 1 67 67 VAL HG21 H 1 0.937 0.001 . 2 . . . . 67 VAL HG2 . 15608 1 827 . 1 1 67 67 VAL HG22 H 1 0.937 0.001 . 2 . . . . 67 VAL HG2 . 15608 1 828 . 1 1 67 67 VAL HG23 H 1 0.937 0.001 . 2 . . . . 67 VAL HG2 . 15608 1 829 . 1 1 67 67 VAL C C 13 177.354 0.02 . 1 . . . . 67 VAL C . 15608 1 830 . 1 1 67 67 VAL CA C 13 58.852 0.02 . 1 . . . . 67 VAL CA . 15608 1 831 . 1 1 67 67 VAL CB C 13 36.040 0.02 . 1 . . . . 67 VAL CB . 15608 1 832 . 1 1 67 67 VAL CG1 C 13 22.208 0.02 . 1 . . . . 67 VAL CG1 . 15608 1 833 . 1 1 67 67 VAL CG2 C 13 18.925 0.02 . 1 . . . . 67 VAL CG2 . 15608 1 834 . 1 1 67 67 VAL N N 15 108.666 0.02 . 1 . . . . 67 VAL N . 15608 1 835 . 1 1 68 68 SER H H 1 9.287 0.02 . 1 . . . . 68 SER H . 15608 1 836 . 1 1 68 68 SER HA H 1 4.061 0.002 . 1 . . . . 68 SER HA . 15608 1 837 . 1 1 68 68 SER HB2 H 1 3.947 0.001 . 2 . . . . 68 SER HB2 . 15608 1 838 . 1 1 68 68 SER HB3 H 1 3.845 0.02 . 2 . . . . 68 SER HB3 . 15608 1 839 . 1 1 68 68 SER C C 13 176.857 0.02 . 1 . . . . 68 SER C . 15608 1 840 . 1 1 68 68 SER CA C 13 61.812 0.02 . 1 . . . . 68 SER CA . 15608 1 841 . 1 1 68 68 SER CB C 13 62.291 0.02 . 1 . . . . 68 SER CB . 15608 1 842 . 1 1 68 68 SER N N 15 120.620 0.02 . 1 . . . . 68 SER N . 15608 1 843 . 1 1 69 69 ALA H H 1 8.505 0.004 . 1 . . . . 69 ALA H . 15608 1 844 . 1 1 69 69 ALA HA H 1 4.048 0.002 . 1 . . . . 69 ALA HA . 15608 1 845 . 1 1 69 69 ALA HB1 H 1 1.439 0.002 . 1 . . . . 69 ALA HB . 15608 1 846 . 1 1 69 69 ALA HB2 H 1 1.439 0.002 . 1 . . . . 69 ALA HB . 15608 1 847 . 1 1 69 69 ALA HB3 H 1 1.439 0.002 . 1 . . . . 69 ALA HB . 15608 1 848 . 1 1 69 69 ALA C C 13 180.457 0.02 . 1 . . . . 69 ALA C . 15608 1 849 . 1 1 69 69 ALA CA C 13 55.458 0.02 . 1 . . . . 69 ALA CA . 15608 1 850 . 1 1 69 69 ALA CB C 13 18.521 0.02 . 1 . . . . 69 ALA CB . 15608 1 851 . 1 1 69 69 ALA N N 15 122.008 0.02 . 1 . . . . 69 ALA N . 15608 1 852 . 1 1 70 70 GLU H H 1 7.010 0.001 . 1 . . . . 70 GLU H . 15608 1 853 . 1 1 70 70 GLU HA H 1 3.688 0.002 . 1 . . . . 70 GLU HA . 15608 1 854 . 1 1 70 70 GLU HB2 H 1 2.723 0.001 . 2 . . . . 70 GLU HB2 . 15608 1 855 . 1 1 70 70 GLU HB3 H 1 1.656 0.003 . 2 . . . . 70 GLU HB3 . 15608 1 856 . 1 1 70 70 GLU HG2 H 1 2.280 0.002 . 2 . . . . 70 GLU HG2 . 15608 1 857 . 1 1 70 70 GLU HG3 H 1 2.380 0.004 . 2 . . . . 70 GLU HG3 . 15608 1 858 . 1 1 70 70 GLU C C 13 176.764 0.02 . 1 . . . . 70 GLU C . 15608 1 859 . 1 1 70 70 GLU CA C 13 57.629 0.02 . 1 . . . . 70 GLU CA . 15608 1 860 . 1 1 70 70 GLU CB C 13 29.637 0.02 . 1 . . . . 70 GLU CB . 15608 1 861 . 1 1 70 70 GLU CG C 13 35.632 0.02 . 1 . . . . 70 GLU CG . 15608 1 862 . 1 1 70 70 GLU N N 15 114.476 0.02 . 1 . . . . 70 GLU N . 15608 1 863 . 1 1 71 71 LYS H H 1 6.596 0.001 . 1 . . . . 71 LYS H . 15608 1 864 . 1 1 71 71 LYS HA H 1 3.115 0.02 . 1 . . . . 71 LYS HA . 15608 1 865 . 1 1 71 71 LYS HB2 H 1 1.775 0.003 . 2 . . . . 71 LYS HB2 . 15608 1 866 . 1 1 71 71 LYS HB3 H 1 2.258 0.004 . 2 . . . . 71 LYS HB3 . 15608 1 867 . 1 1 71 71 LYS HD2 H 1 1.610 0.02 . 2 . . . . 71 LYS HD2 . 15608 1 868 . 1 1 71 71 LYS HD3 H 1 1.696 0.003 . 2 . . . . 71 LYS HD3 . 15608 1 869 . 1 1 71 71 LYS HE2 H 1 3.035 0.001 . 2 . . . . 71 LYS HE2 . 15608 1 870 . 1 1 71 71 LYS HE3 H 1 2.994 0.001 . 2 . . . . 71 LYS HE3 . 15608 1 871 . 1 1 71 71 LYS HG2 H 1 1.333 0.003 . 2 . . . . 71 LYS HG2 . 15608 1 872 . 1 1 71 71 LYS HG3 H 1 1.493 0.004 . 2 . . . . 71 LYS HG3 . 15608 1 873 . 1 1 71 71 LYS C C 13 178.099 0.02 . 1 . . . . 71 LYS C . 15608 1 874 . 1 1 71 71 LYS CA C 13 59.546 0.02 . 1 . . . . 71 LYS CA . 15608 1 875 . 1 1 71 71 LYS CB C 13 32.262 0.02 . 1 . . . . 71 LYS CB . 15608 1 876 . 1 1 71 71 LYS CD C 13 29.488 0.02 . 1 . . . . 71 LYS CD . 15608 1 877 . 1 1 71 71 LYS CE C 13 42.545 0.02 . 1 . . . . 71 LYS CE . 15608 1 878 . 1 1 71 71 LYS CG C 13 24.688 0.02 . 1 . . . . 71 LYS CG . 15608 1 879 . 1 1 71 71 LYS N N 15 119.687 0.02 . 1 . . . . 71 LYS N . 15608 1 880 . 1 1 72 72 LEU H H 1 7.819 0.02 . 1 . . . . 72 LEU H . 15608 1 881 . 1 1 72 72 LEU HA H 1 4.104 0.001 . 1 . . . . 72 LEU HA . 15608 1 882 . 1 1 72 72 LEU HB2 H 1 1.806 0.001 . 1 . . . . 72 LEU HB2 . 15608 1 883 . 1 1 72 72 LEU HB3 H 1 1.571 0.02 . 1 . . . . 72 LEU HB3 . 15608 1 884 . 1 1 72 72 LEU HD11 H 1 0.913 0.002 . 2 . . . . 72 LEU HD1 . 15608 1 885 . 1 1 72 72 LEU HD12 H 1 0.913 0.002 . 2 . . . . 72 LEU HD1 . 15608 1 886 . 1 1 72 72 LEU HD13 H 1 0.913 0.002 . 2 . . . . 72 LEU HD1 . 15608 1 887 . 1 1 72 72 LEU HD21 H 1 0.909 0.003 . 2 . . . . 72 LEU HD2 . 15608 1 888 . 1 1 72 72 LEU HD22 H 1 0.909 0.003 . 2 . . . . 72 LEU HD2 . 15608 1 889 . 1 1 72 72 LEU HD23 H 1 0.909 0.003 . 2 . . . . 72 LEU HD2 . 15608 1 890 . 1 1 72 72 LEU HG H 1 1.742 0.02 . 1 . . . . 72 LEU HG . 15608 1 891 . 1 1 72 72 LEU C C 13 179.898 0.02 . 1 . . . . 72 LEU C . 15608 1 892 . 1 1 72 72 LEU CA C 13 57.983 0.02 . 1 . . . . 72 LEU CA . 15608 1 893 . 1 1 72 72 LEU CB C 13 41.431 0.02 . 1 . . . . 72 LEU CB . 15608 1 894 . 1 1 72 72 LEU CD1 C 13 24.944 0.02 . 1 . . . . 72 LEU CD1 . 15608 1 895 . 1 1 72 72 LEU CD2 C 13 23.095 0.02 . 1 . . . . 72 LEU CD2 . 15608 1 896 . 1 1 72 72 LEU CG C 13 26.770 0.02 . 1 . . . . 72 LEU CG . 15608 1 897 . 1 1 72 72 LEU N N 15 118.032 0.02 . 1 . . . . 72 LEU N . 15608 1 898 . 1 1 73 73 ILE H H 1 7.570 0.002 . 1 . . . . 73 ILE H . 15608 1 899 . 1 1 73 73 ILE HA H 1 3.742 0.001 . 1 . . . . 73 ILE HA . 15608 1 900 . 1 1 73 73 ILE HB H 1 1.832 0.005 . 1 . . . . 73 ILE HB . 15608 1 901 . 1 1 73 73 ILE HD11 H 1 0.844 0.003 . 1 . . . . 73 ILE HD1 . 15608 1 902 . 1 1 73 73 ILE HD12 H 1 0.844 0.003 . 1 . . . . 73 ILE HD1 . 15608 1 903 . 1 1 73 73 ILE HD13 H 1 0.844 0.003 . 1 . . . . 73 ILE HD1 . 15608 1 904 . 1 1 73 73 ILE HG12 H 1 1.711 0.02 . 2 . . . . 73 ILE HG12 . 15608 1 905 . 1 1 73 73 ILE HG13 H 1 1.182 0.02 . 2 . . . . 73 ILE HG13 . 15608 1 906 . 1 1 73 73 ILE HG21 H 1 0.946 0.005 . 1 . . . . 73 ILE HG2 . 15608 1 907 . 1 1 73 73 ILE HG22 H 1 0.946 0.005 . 1 . . . . 73 ILE HG2 . 15608 1 908 . 1 1 73 73 ILE HG23 H 1 0.946 0.005 . 1 . . . . 73 ILE HG2 . 15608 1 909 . 1 1 73 73 ILE C C 13 177.912 0.02 . 1 . . . . 73 ILE C . 15608 1 910 . 1 1 73 73 ILE CA C 13 64.557 0.02 . 1 . . . . 73 ILE CA . 15608 1 911 . 1 1 73 73 ILE CB C 13 37.589 0.02 . 1 . . . . 73 ILE CB . 15608 1 912 . 1 1 73 73 ILE CD1 C 13 12.662 0.02 . 1 . . . . 73 ILE CD1 . 15608 1 913 . 1 1 73 73 ILE CG1 C 13 29.009 0.02 . 1 . . . . 73 ILE CG1 . 15608 1 914 . 1 1 73 73 ILE CG2 C 13 18.093 0.02 . 1 . . . . 73 ILE CG2 . 15608 1 915 . 1 1 73 73 ILE N N 15 120.190 0.02 . 1 . . . . 73 ILE N . 15608 1 916 . 1 1 74 74 PHE H H 1 8.258 0.02 . 1 . . . . 74 PHE H . 15608 1 917 . 1 1 74 74 PHE HA H 1 3.899 0.002 . 1 . . . . 74 PHE HA . 15608 1 918 . 1 1 74 74 PHE HB2 H 1 2.588 0.001 . 2 . . . . 74 PHE HB2 . 15608 1 919 . 1 1 74 74 PHE HB3 H 1 2.826 0.02 . 2 . . . . 74 PHE HB3 . 15608 1 920 . 1 1 74 74 PHE HD1 H 1 6.865 0.02 . 1 . . . . 74 PHE HD1 . 15608 1 921 . 1 1 74 74 PHE HD2 H 1 6.865 0.02 . 1 . . . . 74 PHE HD2 . 15608 1 922 . 1 1 74 74 PHE HE1 H 1 7.057 0.02 . 1 . . . . 74 PHE HE1 . 15608 1 923 . 1 1 74 74 PHE HE2 H 1 7.057 0.02 . 1 . . . . 74 PHE HE2 . 15608 1 924 . 1 1 74 74 PHE HZ H 1 6.503 0.02 . 1 . . . . 74 PHE HZ . 15608 1 925 . 1 1 74 74 PHE C C 13 177.106 0.02 . 1 . . . . 74 PHE C . 15608 1 926 . 1 1 74 74 PHE CA C 13 61.619 0.02 . 1 . . . . 74 PHE CA . 15608 1 927 . 1 1 74 74 PHE CB C 13 39.710 0.02 . 1 . . . . 74 PHE CB . 15608 1 928 . 1 1 74 74 PHE CD1 C 13 131.095 0.02 . 1 . . . . 74 PHE CD1 . 15608 1 929 . 1 1 74 74 PHE CE1 C 13 131.001 0.02 . 1 . . . . 74 PHE CE1 . 15608 1 930 . 1 1 74 74 PHE CZ C 13 129.531 0.02 . 1 . . . . 74 PHE CZ . 15608 1 931 . 1 1 74 74 PHE N N 15 120.230 0.02 . 1 . . . . 74 PHE N . 15608 1 932 . 1 1 75 75 GLU H H 1 8.540 0.02 . 1 . . . . 75 GLU H . 15608 1 933 . 1 1 75 75 GLU HA H 1 3.713 0.002 . 1 . . . . 75 GLU HA . 15608 1 934 . 1 1 75 75 GLU HB2 H 1 2.230 0.02 . 2 . . . . 75 GLU HB2 . 15608 1 935 . 1 1 75 75 GLU HB3 H 1 1.999 0.001 . 2 . . . . 75 GLU HB3 . 15608 1 936 . 1 1 75 75 GLU HG2 H 1 2.704 0.002 . 2 . . . . 75 GLU HG2 . 15608 1 937 . 1 1 75 75 GLU HG3 H 1 2.224 0.001 . 2 . . . . 75 GLU HG3 . 15608 1 938 . 1 1 75 75 GLU C C 13 179.371 0.02 . 1 . . . . 75 GLU C . 15608 1 939 . 1 1 75 75 GLU CA C 13 59.963 0.02 . 1 . . . . 75 GLU CA . 15608 1 940 . 1 1 75 75 GLU CB C 13 29.280 0.02 . 1 . . . . 75 GLU CB . 15608 1 941 . 1 1 75 75 GLU CG C 13 37.555 0.02 . 1 . . . . 75 GLU CG . 15608 1 942 . 1 1 75 75 GLU N N 15 118.356 0.02 . 1 . . . . 75 GLU N . 15608 1 943 . 1 1 76 76 LEU H H 1 7.899 0.002 . 1 . . . . 76 LEU H . 15608 1 944 . 1 1 76 76 LEU HA H 1 4.048 0.002 . 1 . . . . 76 LEU HA . 15608 1 945 . 1 1 76 76 LEU HB2 H 1 1.727 0.02 . 2 . . . . 76 LEU HB2 . 15608 1 946 . 1 1 76 76 LEU HB3 H 1 1.867 0.02 . 2 . . . . 76 LEU HB3 . 15608 1 947 . 1 1 76 76 LEU HD11 H 1 0.892 0.001 . 1 . . . . 76 LEU HD1 . 15608 1 948 . 1 1 76 76 LEU HD12 H 1 0.892 0.001 . 1 . . . . 76 LEU HD1 . 15608 1 949 . 1 1 76 76 LEU HD13 H 1 0.892 0.001 . 1 . . . . 76 LEU HD1 . 15608 1 950 . 1 1 76 76 LEU HD21 H 1 0.871 0.02 . 1 . . . . 76 LEU HD2 . 15608 1 951 . 1 1 76 76 LEU HD22 H 1 0.871 0.02 . 1 . . . . 76 LEU HD2 . 15608 1 952 . 1 1 76 76 LEU HD23 H 1 0.871 0.02 . 1 . . . . 76 LEU HD2 . 15608 1 953 . 1 1 76 76 LEU HG H 1 1.725 0.02 . 1 . . . . 76 LEU HG . 15608 1 954 . 1 1 76 76 LEU C C 13 180.488 0.02 . 1 . . . . 76 LEU C . 15608 1 955 . 1 1 76 76 LEU CA C 13 58.257 0.02 . 1 . . . . 76 LEU CA . 15608 1 956 . 1 1 76 76 LEU CB C 13 41.648 0.02 . 1 . . . . 76 LEU CB . 15608 1 957 . 1 1 76 76 LEU CD1 C 13 24.730 0.02 . 1 . . . . 76 LEU CD1 . 15608 1 958 . 1 1 76 76 LEU CD2 C 13 23.887 0.02 . 1 . . . . 76 LEU CD2 . 15608 1 959 . 1 1 76 76 LEU CG C 13 26.770 0.02 . 1 . . . . 76 LEU CG . 15608 1 960 . 1 1 76 76 LEU N N 15 120.628 0.02 . 1 . . . . 76 LEU N . 15608 1 961 . 1 1 77 77 LYS H H 1 8.389 0.02 . 1 . . . . 77 LYS H . 15608 1 962 . 1 1 77 77 LYS HA H 1 4.048 0.001 . 1 . . . . 77 LYS HA . 15608 1 963 . 1 1 77 77 LYS HB2 H 1 1.814 0.004 . 2 . . . . 77 LYS HB2 . 15608 1 964 . 1 1 77 77 LYS HB3 H 1 1.774 0.002 . 2 . . . . 77 LYS HB3 . 15608 1 965 . 1 1 77 77 LYS HD2 H 1 1.525 0.017 . 2 . . . . 77 LYS HD2 . 15608 1 966 . 1 1 77 77 LYS HD3 H 1 1.445 0.001 . 2 . . . . 77 LYS HD3 . 15608 1 967 . 1 1 77 77 LYS HE2 H 1 2.899 0.001 . 2 . . . . 77 LYS HE2 . 15608 1 968 . 1 1 77 77 LYS HE3 H 1 2.799 0.001 . 2 . . . . 77 LYS HE3 . 15608 1 969 . 1 1 77 77 LYS HG2 H 1 1.447 0.002 . 1 . . . . 77 LYS HG2 . 15608 1 970 . 1 1 77 77 LYS HG3 H 1 1.642 0.003 . 1 . . . . 77 LYS HG3 . 15608 1 971 . 1 1 77 77 LYS C C 13 179.712 0.02 . 1 . . . . 77 LYS C . 15608 1 972 . 1 1 77 77 LYS CA C 13 59.210 0.02 . 1 . . . . 77 LYS CA . 15608 1 973 . 1 1 77 77 LYS CB C 13 32.854 0.02 . 1 . . . . 77 LYS CB . 15608 1 974 . 1 1 77 77 LYS CD C 13 29.305 0.02 . 1 . . . . 77 LYS CD . 15608 1 975 . 1 1 77 77 LYS CE C 13 41.896 0.02 . 1 . . . . 77 LYS CE . 15608 1 976 . 1 1 77 77 LYS CG C 13 26.136 0.02 . 1 . . . . 77 LYS CG . 15608 1 977 . 1 1 77 77 LYS N N 15 119.393 0.02 . 1 . . . . 77 LYS N . 15608 1 978 . 1 1 78 78 THR H H 1 8.288 0.004 . 1 . . . . 78 THR H . 15608 1 979 . 1 1 78 78 THR HA H 1 3.692 0.002 . 1 . . . . 78 THR HA . 15608 1 980 . 1 1 78 78 THR HB H 1 4.160 0.001 . 1 . . . . 78 THR HB . 15608 1 981 . 1 1 78 78 THR HG21 H 1 0.525 0.002 . 1 . . . . 78 THR HG2 . 15608 1 982 . 1 1 78 78 THR HG22 H 1 0.525 0.002 . 1 . . . . 78 THR HG2 . 15608 1 983 . 1 1 78 78 THR HG23 H 1 0.525 0.002 . 1 . . . . 78 THR HG2 . 15608 1 984 . 1 1 78 78 THR C C 13 176.950 0.02 . 1 . . . . 78 THR C . 15608 1 985 . 1 1 78 78 THR CA C 13 64.571 0.02 . 1 . . . . 78 THR CA . 15608 1 986 . 1 1 78 78 THR CB C 13 69.157 0.02 . 1 . . . . 78 THR CB . 15608 1 987 . 1 1 78 78 THR CG2 C 13 22.400 0.02 . 1 . . . . 78 THR CG2 . 15608 1 988 . 1 1 78 78 THR N N 15 110.842 0.02 . 1 . . . . 78 THR N . 15608 1 989 . 1 1 79 79 ARG H H 1 7.534 0.003 . 1 . . . . 79 ARG H . 15608 1 990 . 1 1 79 79 ARG HA H 1 4.146 0.02 . 1 . . . . 79 ARG HA . 15608 1 991 . 1 1 79 79 ARG HB2 H 1 1.964 0.02 . 1 . . . . 79 ARG HB2 . 15608 1 992 . 1 1 79 79 ARG HB3 H 1 1.936 0.02 . 1 . . . . 79 ARG HB3 . 15608 1 993 . 1 1 79 79 ARG HD2 H 1 3.232 0.02 . 2 . . . . 79 ARG HD2 . 15608 1 994 . 1 1 79 79 ARG HD3 H 1 3.183 0.02 . 2 . . . . 79 ARG HD3 . 15608 1 995 . 1 1 79 79 ARG HG2 H 1 1.735 0.02 . 2 . . . . 79 ARG HG2 . 15608 1 996 . 1 1 79 79 ARG HG3 H 1 1.909 0.02 . 2 . . . . 79 ARG HG3 . 15608 1 997 . 1 1 79 79 ARG C C 13 178.316 0.02 . 1 . . . . 79 ARG C . 15608 1 998 . 1 1 79 79 ARG CA C 13 58.912 0.02 . 1 . . . . 79 ARG CA . 15608 1 999 . 1 1 79 79 ARG CB C 13 29.759 0.02 . 1 . . . . 79 ARG CB . 15608 1 1000 . 1 1 79 79 ARG CD C 13 43.480 0.02 . 1 . . . . 79 ARG CD . 15608 1 1001 . 1 1 79 79 ARG CG C 13 27.310 0.02 . 1 . . . . 79 ARG CG . 15608 1 1002 . 1 1 79 79 ARG N N 15 122.163 0.02 . 1 . . . . 79 ARG N . 15608 1 1003 . 1 1 80 80 SER H H 1 7.633 0.002 . 1 . . . . 80 SER H . 15608 1 1004 . 1 1 80 80 SER HA H 1 4.325 0.003 . 1 . . . . 80 SER HA . 15608 1 1005 . 1 1 80 80 SER HB2 H 1 3.932 0.003 . 2 . . . . 80 SER HB2 . 15608 1 1006 . 1 1 80 80 SER HB3 H 1 3.924 0.02 . 2 . . . . 80 SER HB3 . 15608 1 1007 . 1 1 80 80 SER C C 13 175.368 0.02 . 1 . . . . 80 SER C . 15608 1 1008 . 1 1 80 80 SER CA C 13 59.925 0.02 . 1 . . . . 80 SER CA . 15608 1 1009 . 1 1 80 80 SER CB C 13 62.933 0.02 . 1 . . . . 80 SER CB . 15608 1 1010 . 1 1 80 80 SER N N 15 112.707 0.02 . 1 . . . . 80 SER N . 15608 1 1011 . 1 1 81 81 LEU H H 1 7.394 0.002 . 1 . . . . 81 LEU H . 15608 1 1012 . 1 1 81 81 LEU HA H 1 4.169 0.02 . 1 . . . . 81 LEU HA . 15608 1 1013 . 1 1 81 81 LEU HB2 H 1 1.466 0.02 . 2 . . . . 81 LEU HB2 . 15608 1 1014 . 1 1 81 81 LEU HB3 H 1 1.587 0.002 . 2 . . . . 81 LEU HB3 . 15608 1 1015 . 1 1 81 81 LEU HD11 H 1 0.393 0.002 . 2 . . . . 81 LEU HD1 . 15608 1 1016 . 1 1 81 81 LEU HD12 H 1 0.393 0.002 . 2 . . . . 81 LEU HD1 . 15608 1 1017 . 1 1 81 81 LEU HD13 H 1 0.393 0.002 . 2 . . . . 81 LEU HD1 . 15608 1 1018 . 1 1 81 81 LEU HD21 H 1 0.549 0.02 . 2 . . . . 81 LEU HD2 . 15608 1 1019 . 1 1 81 81 LEU HD22 H 1 0.549 0.02 . 2 . . . . 81 LEU HD2 . 15608 1 1020 . 1 1 81 81 LEU HD23 H 1 0.549 0.02 . 2 . . . . 81 LEU HD2 . 15608 1 1021 . 1 1 81 81 LEU HG H 1 1.449 0.002 . 1 . . . . 81 LEU HG . 15608 1 1022 . 1 1 81 81 LEU C C 13 177.881 0.02 . 1 . . . . 81 LEU C . 15608 1 1023 . 1 1 81 81 LEU CA C 13 56.112 0.02 . 1 . . . . 81 LEU CA . 15608 1 1024 . 1 1 81 81 LEU CB C 13 41.937 0.02 . 1 . . . . 81 LEU CB . 15608 1 1025 . 1 1 81 81 LEU CD1 C 13 24.688 0.02 . 1 . . . . 81 LEU CD1 . 15608 1 1026 . 1 1 81 81 LEU CD2 C 13 23.334 0.02 . 1 . . . . 81 LEU CD2 . 15608 1 1027 . 1 1 81 81 LEU CG C 13 26.770 0.02 . 1 . . . . 81 LEU CG . 15608 1 1028 . 1 1 81 81 LEU N N 15 122.064 0.02 . 1 . . . . 81 LEU N . 15608 1 1029 . 1 1 82 82 ALA H H 1 7.868 0.02 . 1 . . . . 82 ALA H . 15608 1 1030 . 1 1 82 82 ALA HA H 1 4.247 0.02 . 1 . . . . 82 ALA HA . 15608 1 1031 . 1 1 82 82 ALA HB1 H 1 1.485 0.02 . 1 . . . . 82 ALA HB . 15608 1 1032 . 1 1 82 82 ALA HB2 H 1 1.485 0.02 . 1 . . . . 82 ALA HB . 15608 1 1033 . 1 1 82 82 ALA HB3 H 1 1.485 0.02 . 1 . . . . 82 ALA HB . 15608 1 1034 . 1 1 82 82 ALA C C 13 178.502 0.02 . 1 . . . . 82 ALA C . 15608 1 1035 . 1 1 82 82 ALA CA C 13 53.313 0.02 . 1 . . . . 82 ALA CA . 15608 1 1036 . 1 1 82 82 ALA CB C 13 18.588 0.02 . 1 . . . . 82 ALA CB . 15608 1 1037 . 1 1 82 82 ALA N N 15 122.282 0.02 . 1 . . . . 82 ALA N . 15608 1 1038 . 1 1 83 83 ARG H H 1 8.003 0.02 . 1 . . . . 83 ARG H . 15608 1 1039 . 1 1 83 83 ARG HA H 1 4.310 0.02 . 1 . . . . 83 ARG HA . 15608 1 1040 . 1 1 83 83 ARG HB2 H 1 1.863 0.02 . 2 . . . . 83 ARG HB2 . 15608 1 1041 . 1 1 83 83 ARG HB3 H 1 1.922 0.002 . 2 . . . . 83 ARG HB3 . 15608 1 1042 . 1 1 83 83 ARG HD2 H 1 3.228 0.001 . 2 . . . . 83 ARG HD2 . 15608 1 1043 . 1 1 83 83 ARG HD3 H 1 3.233 0.02 . 2 . . . . 83 ARG HD3 . 15608 1 1044 . 1 1 83 83 ARG HG2 H 1 1.716 0.02 . 2 . . . . 83 ARG HG2 . 15608 1 1045 . 1 1 83 83 ARG HG3 H 1 1.698 0.02 . 2 . . . . 83 ARG HG3 . 15608 1 1046 . 1 1 83 83 ARG C C 13 176.857 0.02 . 1 . . . . 83 ARG C . 15608 1 1047 . 1 1 83 83 ARG CA C 13 56.584 0.02 . 1 . . . . 83 ARG CA . 15608 1 1048 . 1 1 83 83 ARG CB C 13 30.516 0.02 . 1 . . . . 83 ARG CB . 15608 1 1049 . 1 1 83 83 ARG CD C 13 43.357 0.02 . 1 . . . . 83 ARG CD . 15608 1 1050 . 1 1 83 83 ARG CG C 13 27.240 0.02 . 1 . . . . 83 ARG CG . 15608 1 1051 . 1 1 83 83 ARG N N 15 118.594 0.02 . 1 . . . . 83 ARG N . 15608 1 1052 . 1 1 84 84 LEU H H 1 8.031 0.02 . 1 . . . . 84 LEU H . 15608 1 1053 . 1 1 84 84 LEU HA H 1 4.268 0.02 . 1 . . . . 84 LEU HA . 15608 1 1054 . 1 1 84 84 LEU HB2 H 1 1.697 0.02 . 2 . . . . 84 LEU HB2 . 15608 1 1055 . 1 1 84 84 LEU HB3 H 1 1.573 0.02 . 2 . . . . 84 LEU HB3 . 15608 1 1056 . 1 1 84 84 LEU HD11 H 1 0.905 0.02 . 2 . . . . 84 LEU HD1 . 15608 1 1057 . 1 1 84 84 LEU HD12 H 1 0.905 0.02 . 2 . . . . 84 LEU HD1 . 15608 1 1058 . 1 1 84 84 LEU HD13 H 1 0.905 0.02 . 2 . . . . 84 LEU HD1 . 15608 1 1059 . 1 1 84 84 LEU HD21 H 1 0.847 0.02 . 2 . . . . 84 LEU HD2 . 15608 1 1060 . 1 1 84 84 LEU HD22 H 1 0.847 0.02 . 2 . . . . 84 LEU HD2 . 15608 1 1061 . 1 1 84 84 LEU HD23 H 1 0.847 0.02 . 2 . . . . 84 LEU HD2 . 15608 1 1062 . 1 1 84 84 LEU HG H 1 1.637 0.02 . 1 . . . . 84 LEU HG . 15608 1 1063 . 1 1 84 84 LEU C C 13 177.540 0.02 . 1 . . . . 84 LEU C . 15608 1 1064 . 1 1 84 84 LEU CA C 13 55.410 0.02 . 1 . . . . 84 LEU CA . 15608 1 1065 . 1 1 84 84 LEU CB C 13 42.034 0.02 . 1 . . . . 84 LEU CB . 15608 1 1066 . 1 1 84 84 LEU CD1 C 13 24.989 0.02 . 1 . . . . 84 LEU CD1 . 15608 1 1067 . 1 1 84 84 LEU CD2 C 13 23.240 0.02 . 1 . . . . 84 LEU CD2 . 15608 1 1068 . 1 1 84 84 LEU CG C 13 26.770 0.02 . 1 . . . . 84 LEU CG . 15608 1 1069 . 1 1 84 84 LEU N N 15 121.608 0.02 . 1 . . . . 84 LEU N . 15608 1 1070 . 1 1 85 85 GLU H H 1 8.196 0.02 . 1 . . . . 85 GLU H . 15608 1 1071 . 1 1 85 85 GLU HA H 1 4.190 0.02 . 1 . . . . 85 GLU HA . 15608 1 1072 . 1 1 85 85 GLU HB2 H 1 1.937 0.02 . 2 . . . . 85 GLU HB2 . 15608 1 1073 . 1 1 85 85 GLU HB3 H 1 1.940 0.02 . 2 . . . . 85 GLU HB3 . 15608 1 1074 . 1 1 85 85 GLU HG2 H 1 2.204 0.02 . 2 . . . . 85 GLU HG2 . 15608 1 1075 . 1 1 85 85 GLU HG3 H 1 2.283 0.02 . 2 . . . . 85 GLU HG3 . 15608 1 1076 . 1 1 85 85 GLU C C 13 176.361 0.02 . 1 . . . . 85 GLU C . 15608 1 1077 . 1 1 85 85 GLU CA C 13 56.436 0.02 . 1 . . . . 85 GLU CA . 15608 1 1078 . 1 1 85 85 GLU CB C 13 29.941 0.02 . 1 . . . . 85 GLU CB . 15608 1 1079 . 1 1 85 85 GLU CG C 13 35.918 0.02 . 1 . . . . 85 GLU CG . 15608 1 1080 . 1 1 85 85 GLU N N 15 120.467 0.02 . 1 . . . . 85 GLU N . 15608 1 1081 . 1 1 86 86 HIS H H 1 8.339 0.02 . 1 . . . . 86 HIS H . 15608 1 1082 . 1 1 86 86 HIS HA H 1 4.599 0.02 . 1 . . . . 86 HIS HA . 15608 1 1083 . 1 1 86 86 HIS HB2 H 1 3.119 0.02 . 2 . . . . 86 HIS HB2 . 15608 1 1084 . 1 1 86 86 HIS HB3 H 1 3.042 0.02 . 2 . . . . 86 HIS HB3 . 15608 1 1085 . 1 1 86 86 HIS HD2 H 1 7.109 0.02 . 1 . . . . 86 HIS HD2 . 15608 1 1086 . 1 1 86 86 HIS HE1 H 1 8.080 0.02 . 1 . . . . 86 HIS HE1 . 15608 1 1087 . 1 1 86 86 HIS CA C 13 55.483 0.02 . 1 . . . . 86 HIS CA . 15608 1 1088 . 1 1 86 86 HIS CB C 13 29.532 0.02 . 1 . . . . 86 HIS CB . 15608 1 1089 . 1 1 86 86 HIS CD2 C 13 119.648 0.02 . 1 . . . . 86 HIS CD2 . 15608 1 1090 . 1 1 86 86 HIS N N 15 118.936 0.02 . 1 . . . . 86 HIS N . 15608 1 stop_ save_