data_16791 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16791 _Entry.Title ; solution NMR structure of yaiA from Escherichia Eoli. Northeast Structural Genomics Target ER244 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-28 _Entry.Accession_date 2010-03-28 _Entry.Last_release_date 2010-04-26 _Entry.Original_release_date 2010-04-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 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 Yuefeng Tang . . . 16791 2 Haleema Janjua . . . 16791 3 Rong Xiao . . . 16791 4 Thomas Acton . B. . 16791 5 G.V.T. Swapna . . . 16791 6 Burkhard Rost . . . 16791 7 Geatano Montelione . T. . 16791 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 . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16791 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16791 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 281 16791 '15N chemical shifts' 58 16791 '1H chemical shifts' 445 16791 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-04-26 2010-03-28 original author . 16791 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KVT 'BMRB Entry Tracking System' 16791 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16791 _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 'solution NMR structure of yaiA from Escherichia coli. Northeast Structural Genomics Target ER244' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yuefeng Tang . . . 16791 1 2 Haleema Janjua . . . 16791 1 3 Rong Xiao . . . 16791 1 4 Thomas Acton . B. . 16791 1 5 G.V.T. Swapna . . . 16791 1 6 Burkhard Rost . . . 16791 1 7 Gaetano Montelione . T. . 16791 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16791 _Assembly.ID 1 _Assembly.Name yaiA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 ER244 1 $ER244 A . yes native yes no . . . 16791 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ER244 _Entity.Sf_category entity _Entity.Sf_framecode ER244 _Entity.Entry_ID 16791 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name yaiA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPTKPPYPREAYIVTIEKGK PGQTVTWYQLRADHPKPDSL ISEHPTAQEAMDAKKRYEDP DKELEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residue 64 to 71 represent a non-native purification tag (LEHHHHHH)' _Entity.Ambiguous_conformational_states yes _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16710.875 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KVT . "Solution Nmr Structure Of Yaia From Escherichia Eoli. Northe Structural Genomics Target Er244" . . . . . 100.00 71 100.00 100.00 1.01e-42 . . . . 16791 1 2 no DBJ BAB33862 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 3 no DBJ BAE76170 . "hypothetical protein [Escherichia coli str. K12 substr. W3110]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 4 no DBJ BAG75934 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 5 no DBJ BAI23762 . "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 6 no DBJ BAI29233 . "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 7 no EMBL CAP74924 . "Uncharacterized protein yaiA [Escherichia coli LF82]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 8 no EMBL CAQ30857 . "predicted protein [Escherichia coli BL21(DE3)]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 9 no EMBL CAQ97261 . "conserved hypothetical protein [Escherichia coli IAI1]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 10 no EMBL CAR01733 . "conserved hypothetical protein [Escherichia coli S88]" . . . . . 88.73 63 98.41 100.00 3.19e-36 . . . . 16791 1 11 no EMBL CAR06622 . "conserved hypothetical protein [Escherichia coli ED1a]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 12 no GB AAA83834 . "unknown protein [Escherichia coli]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 13 no GB AAB18113 . "unknown [Escherichia coli str. K-12 substr. MG1655]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 14 no GB AAC73492 . "OxyR-regulated conserved protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 15 no GB AAG54735 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 16 no GB AAN41984 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 17 no REF NP_308466 . "hypothetical protein ECs0439 [Escherichia coli O157:H7 str. Sakai]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 18 no REF NP_414923 . "OxyR-regulated conserved protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 19 no REF NP_706277 . "hypothetical protein SF0325 [Shigella flexneri 2a str. 301]" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 20 no REF WP_001142433 . "MULTISPECIES: hypothetical protein [Escherichia]" . . . . . 88.73 63 98.41 100.00 3.19e-36 . . . . 16791 1 21 no REF WP_001142434 . "hypothetical protein [Escherichia coli]" . . . . . 88.73 63 98.41 98.41 3.40e-36 . . . . 16791 1 22 no SP P0AAN5 . "RecName: Full=Uncharacterized protein YaiA" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 23 no SP P0AAN6 . "RecName: Full=Uncharacterized protein YaiA" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 24 no SP P0AAN7 . "RecName: Full=Uncharacterized protein YaiA" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 25 no SP P0AAN8 . "RecName: Full=Uncharacterized protein YaiA" . . . . . 88.73 63 100.00 100.00 9.97e-37 . . . . 16791 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16791 1 2 . PRO . 16791 1 3 . THR . 16791 1 4 . LYS . 16791 1 5 . PRO . 16791 1 6 . PRO . 16791 1 7 . TYR . 16791 1 8 . PRO . 16791 1 9 . ARG . 16791 1 10 . GLU . 16791 1 11 . ALA . 16791 1 12 . TYR . 16791 1 13 . ILE . 16791 1 14 . VAL . 16791 1 15 . THR . 16791 1 16 . ILE . 16791 1 17 . GLU . 16791 1 18 . LYS . 16791 1 19 . GLY . 16791 1 20 . LYS . 16791 1 21 . PRO . 16791 1 22 . GLY . 16791 1 23 . GLN . 16791 1 24 . THR . 16791 1 25 . VAL . 16791 1 26 . THR . 16791 1 27 . TRP . 16791 1 28 . TYR . 16791 1 29 . GLN . 16791 1 30 . LEU . 16791 1 31 . ARG . 16791 1 32 . ALA . 16791 1 33 . ASP . 16791 1 34 . HIS . 16791 1 35 . PRO . 16791 1 36 . LYS . 16791 1 37 . PRO . 16791 1 38 . ASP . 16791 1 39 . SER . 16791 1 40 . LEU . 16791 1 41 . ILE . 16791 1 42 . SER . 16791 1 43 . GLU . 16791 1 44 . HIS . 16791 1 45 . PRO . 16791 1 46 . THR . 16791 1 47 . ALA . 16791 1 48 . GLN . 16791 1 49 . GLU . 16791 1 50 . ALA . 16791 1 51 . MET . 16791 1 52 . ASP . 16791 1 53 . ALA . 16791 1 54 . LYS . 16791 1 55 . LYS . 16791 1 56 . ARG . 16791 1 57 . TYR . 16791 1 58 . GLU . 16791 1 59 . ASP . 16791 1 60 . PRO . 16791 1 61 . ASP . 16791 1 62 . LYS . 16791 1 63 . GLU . 16791 1 64 . LEU . 16791 1 65 . GLU . 16791 1 66 . HIS . 16791 1 67 . HIS . 16791 1 68 . HIS . 16791 1 69 . HIS . 16791 1 70 . HIS . 16791 1 71 . HIS . 16791 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16791 1 . PRO 2 2 16791 1 . THR 3 3 16791 1 . LYS 4 4 16791 1 . PRO 5 5 16791 1 . PRO 6 6 16791 1 . TYR 7 7 16791 1 . PRO 8 8 16791 1 . ARG 9 9 16791 1 . GLU 10 10 16791 1 . ALA 11 11 16791 1 . TYR 12 12 16791 1 . ILE 13 13 16791 1 . VAL 14 14 16791 1 . THR 15 15 16791 1 . ILE 16 16 16791 1 . GLU 17 17 16791 1 . LYS 18 18 16791 1 . GLY 19 19 16791 1 . LYS 20 20 16791 1 . PRO 21 21 16791 1 . GLY 22 22 16791 1 . GLN 23 23 16791 1 . THR 24 24 16791 1 . VAL 25 25 16791 1 . THR 26 26 16791 1 . TRP 27 27 16791 1 . TYR 28 28 16791 1 . GLN 29 29 16791 1 . LEU 30 30 16791 1 . ARG 31 31 16791 1 . ALA 32 32 16791 1 . ASP 33 33 16791 1 . HIS 34 34 16791 1 . PRO 35 35 16791 1 . LYS 36 36 16791 1 . PRO 37 37 16791 1 . ASP 38 38 16791 1 . SER 39 39 16791 1 . LEU 40 40 16791 1 . ILE 41 41 16791 1 . SER 42 42 16791 1 . GLU 43 43 16791 1 . HIS 44 44 16791 1 . PRO 45 45 16791 1 . THR 46 46 16791 1 . ALA 47 47 16791 1 . GLN 48 48 16791 1 . GLU 49 49 16791 1 . ALA 50 50 16791 1 . MET 51 51 16791 1 . ASP 52 52 16791 1 . ALA 53 53 16791 1 . LYS 54 54 16791 1 . LYS 55 55 16791 1 . ARG 56 56 16791 1 . TYR 57 57 16791 1 . GLU 58 58 16791 1 . ASP 59 59 16791 1 . PRO 60 60 16791 1 . ASP 61 61 16791 1 . LYS 62 62 16791 1 . GLU 63 63 16791 1 . LEU 64 64 16791 1 . GLU 65 65 16791 1 . HIS 66 66 16791 1 . HIS 67 67 16791 1 . HIS 68 68 16791 1 . HIS 69 69 16791 1 . HIS 70 70 16791 1 . HIS 71 71 16791 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 16791 _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 $ER244 . 562 organism . 'Escherichia coli' 'E. coli' . Eubacteria . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16791 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 16791 _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 $ER244 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . ER244-21.1 . . . . . . 16791 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16791 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ER244 '[U-5% 13C; U-100% 15N]' . . 1 $ER244 . . 1.00 . . mM . . . . 16791 1 2 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16791 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16791 1 4 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 16791 1 5 NaN3 'natural abundance' . . . . . . 10 . . mM . . . . 16791 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16791 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16791 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16791 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ER244 '[U-100% 13C; U-100% 15N]' . . 1 $ER244 . . 1.37 . . mM . . . . 16791 2 2 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16791 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16791 2 4 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 16791 2 5 NaN3 'natural abundance' . . . . . . 10 . . mM . . . . 16791 2 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16791 2 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16791 2 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 16791 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 16791 1 pH 7.5 . pH 16791 1 pressure 1 . atm 16791 1 temperature 298 . K 16791 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16791 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16791 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16791 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16791 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16791 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16791 2 'peak picking' 16791 2 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16791 _Software.ID 3 _Software.Name AutoAssign _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16791 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16791 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16791 _Software.ID 4 _Software.Name CYANA _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16791 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16791 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16791 _Software.ID 5 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16791 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16791 5 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16791 _Software.ID 6 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16791 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16791 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16791 _Software.ID 7 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16791 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16791 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16791 _Software.ID 8 _Software.Name PSVS _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16791 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 16791 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 16791 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16791 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16791 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16791 1 2 spectrometer_2 Bruker Avance . 800 . . . 16791 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 16791 _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 . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16791 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16791 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16791 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16791 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16791 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16791 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16791 1 8 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16791 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16791 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16791 1 11 '3D 1H-13C aliphatic NOESY' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16791 1 12 '3D 1H-13C aromatic NOESY' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16791 1 13 '2D 1H-13C HSQC (high resolution)' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16791 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 16791 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16791 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16791 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16791 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 16791 _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' . . . 16791 1 2 '2D 1H-13C HSQC' . . . 16791 1 3 '3D HNCO' . . . 16791 1 4 '3D HNCACB' . . . 16791 1 5 '3D CBCA(CO)NH' . . . 16791 1 7 '3D HCCH-TOCSY' . . . 16791 1 8 '3D HCCH-COSY' . . . 16791 1 9 '3D CCH-TOCSY' . . . 16791 1 10 '3D 1H-15N NOESY' . . . 16791 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 2 $SPARKY . . 16791 1 3 $AutoAssign . . 16791 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.432 . . 1 . . . . 2 Pro HA . 16791 1 2 . 1 1 2 2 PRO HB2 H 1 2.469 . . 2 . . . . 2 Pro HB2 . 16791 1 3 . 1 1 2 2 PRO HB3 H 1 2.050 . . 2 . . . . 2 Pro HB3 . 16791 1 4 . 1 1 2 2 PRO HD2 H 1 3.402 . . 2 . . . . 2 Pro HD2 . 16791 1 5 . 1 1 2 2 PRO HD3 H 1 3.372 . . 2 . . . . 2 Pro HD3 . 16791 1 6 . 1 1 2 2 PRO HG2 H 1 2.030 . . 2 . . . . 2 Pro HG2 . 16791 1 7 . 1 1 2 2 PRO HG3 H 1 2.030 . . 2 . . . . 2 Pro HG3 . 16791 1 8 . 1 1 2 2 PRO CA C 13 62.458 . . 1 . . . . 2 Pro CA . 16791 1 9 . 1 1 2 2 PRO CB C 13 32.678 . . 1 . . . . 2 Pro CB . 16791 1 10 . 1 1 2 2 PRO CD C 13 49.448 . . 1 . . . . 2 Pro CD . 16791 1 11 . 1 1 2 2 PRO CG C 13 26.672 . . 1 . . . . 2 Pro CG . 16791 1 12 . 1 1 3 3 THR HA H 1 4.363 . . 1 . . . . 3 Thr HA . 16791 1 13 . 1 1 3 3 THR HB H 1 4.181 . . 1 . . . . 3 Thr HB . 16791 1 14 . 1 1 3 3 THR HG21 H 1 1.255 . . 1 . . . . 3 Thr HG2 . 16791 1 15 . 1 1 3 3 THR HG22 H 1 1.255 . . 1 . . . . 3 Thr HG2 . 16791 1 16 . 1 1 3 3 THR HG23 H 1 1.255 . . 1 . . . . 3 Thr HG2 . 16791 1 17 . 1 1 3 3 THR CA C 13 62.309 . . 1 . . . . 3 Thr CA . 16791 1 18 . 1 1 3 3 THR CB C 13 70.020 . . 1 . . . . 3 Thr CB . 16791 1 19 . 1 1 3 3 THR CG2 C 13 21.876 . . 1 . . . . 3 Thr CG2 . 16791 1 20 . 1 1 4 4 LYS HA H 1 4.594 . . 1 . . . . 4 Lys HA . 16791 1 21 . 1 1 4 4 LYS HB2 H 1 1.792 . . 2 . . . . 4 Lys HB2 . 16791 1 22 . 1 1 4 4 LYS HB3 H 1 1.706 . . 2 . . . . 4 Lys HB3 . 16791 1 23 . 1 1 4 4 LYS HD2 H 1 1.691 . . 2 . . . . 4 Lys HD2 . 16791 1 24 . 1 1 4 4 LYS HD3 H 1 1.691 . . 2 . . . . 4 Lys HD3 . 16791 1 25 . 1 1 4 4 LYS HE2 H 1 2.978 . . 2 . . . . 4 Lys HE2 . 16791 1 26 . 1 1 4 4 LYS HE3 H 1 2.978 . . 2 . . . . 4 Lys HE3 . 16791 1 27 . 1 1 4 4 LYS HG2 H 1 1.450 . . 2 . . . . 4 Lys HG2 . 16791 1 28 . 1 1 4 4 LYS HG3 H 1 1.450 . . 2 . . . . 4 Lys HG3 . 16791 1 29 . 1 1 4 4 LYS CA C 13 54.217 . . 1 . . . . 4 Lys CA . 16791 1 30 . 1 1 4 4 LYS CB C 13 32.747 . . 1 . . . . 4 Lys CB . 16791 1 31 . 1 1 4 4 LYS CD C 13 29.290 . . 1 . . . . 4 Lys CD . 16791 1 32 . 1 1 4 4 LYS CE C 13 42.184 . . 1 . . . . 4 Lys CE . 16791 1 33 . 1 1 4 4 LYS CG C 13 24.519 . . 1 . . . . 4 Lys CG . 16791 1 34 . 1 1 5 5 PRO HA H 1 4.630 . . 1 . . . . 5 Pro HA . 16791 1 35 . 1 1 5 5 PRO HB2 H 1 2.264 . . 2 . . . . 5 Pro HB2 . 16791 1 36 . 1 1 5 5 PRO HB3 H 1 1.774 . . 2 . . . . 5 Pro HB3 . 16791 1 37 . 1 1 5 5 PRO HD2 H 1 3.829 . . 2 . . . . 5 Pro HD2 . 16791 1 38 . 1 1 5 5 PRO HD3 H 1 3.598 . . 2 . . . . 5 Pro HD3 . 16791 1 39 . 1 1 5 5 PRO HG2 H 1 1.974 . . 2 . . . . 5 Pro HG2 . 16791 1 40 . 1 1 5 5 PRO HG3 H 1 1.974 . . 2 . . . . 5 Pro HG3 . 16791 1 41 . 1 1 5 5 PRO CA C 13 61.379 . . 1 . . . . 5 Pro CA . 16791 1 42 . 1 1 5 5 PRO CB C 13 30.934 . . 1 . . . . 5 Pro CB . 16791 1 43 . 1 1 5 5 PRO CD C 13 50.649 . . 1 . . . . 5 Pro CD . 16791 1 44 . 1 1 5 5 PRO CG C 13 27.311 . . 1 . . . . 5 Pro CG . 16791 1 45 . 1 1 6 6 PRO HA H 1 4.338 . . 1 . . . . 6 Pro HA . 16791 1 46 . 1 1 6 6 PRO HB2 H 1 2.148 . . 2 . . . . 6 Pro HB2 . 16791 1 47 . 1 1 6 6 PRO HB3 H 1 1.800 . . 2 . . . . 6 Pro HB3 . 16791 1 48 . 1 1 6 6 PRO HD2 H 1 3.588 . . 2 . . . . 6 Pro HD2 . 16791 1 49 . 1 1 6 6 PRO HD3 H 1 3.712 . . 2 . . . . 6 Pro HD3 . 16791 1 50 . 1 1 6 6 PRO HG2 H 1 1.973 . . 2 . . . . 6 Pro HG2 . 16791 1 51 . 1 1 6 6 PRO HG3 H 1 1.892 . . 2 . . . . 6 Pro HG3 . 16791 1 52 . 1 1 6 6 PRO C C 13 176.089 . . 1 . . . . 6 Pro C . 16791 1 53 . 1 1 6 6 PRO CA C 13 63.156 . . 1 . . . . 6 Pro CA . 16791 1 54 . 1 1 6 6 PRO CB C 13 31.720 . . 1 . . . . 6 Pro CB . 16791 1 55 . 1 1 6 6 PRO CD C 13 50.398 . . 1 . . . . 6 Pro CD . 16791 1 56 . 1 1 6 6 PRO CG C 13 27.226 . . 1 . . . . 6 Pro CG . 16791 1 57 . 1 1 7 7 TYR H H 1 7.668 . . 1 . . . . 7 Tyr H . 16791 1 58 . 1 1 7 7 TYR HA H 1 4.801 . . 1 . . . . 7 Tyr HA . 16791 1 59 . 1 1 7 7 TYR HB2 H 1 2.991 . . 2 . . . . 7 Tyr HB2 . 16791 1 60 . 1 1 7 7 TYR HB3 H 1 2.757 . . 2 . . . . 7 Tyr HB3 . 16791 1 61 . 1 1 7 7 TYR HD1 H 1 7.080 . . 3 . . . . 7 Tyr HD1 . 16791 1 62 . 1 1 7 7 TYR HD2 H 1 7.080 . . 3 . . . . 7 Tyr HD2 . 16791 1 63 . 1 1 7 7 TYR HE1 H 1 6.771 . . 3 . . . . 7 Tyr HE1 . 16791 1 64 . 1 1 7 7 TYR HE2 H 1 6.771 . . 3 . . . . 7 Tyr HE2 . 16791 1 65 . 1 1 7 7 TYR CA C 13 55.070 . . 1 . . . . 7 Tyr CA . 16791 1 66 . 1 1 7 7 TYR CB C 13 37.972 . . 1 . . . . 7 Tyr CB . 16791 1 67 . 1 1 7 7 TYR CD1 C 13 133.733 . . 3 . . . . 7 Tyr CD1 . 16791 1 68 . 1 1 7 7 TYR CD2 C 13 133.733 . . 3 . . . . 7 Tyr CD2 . 16791 1 69 . 1 1 7 7 TYR CE1 C 13 118.107 . . 3 . . . . 7 Tyr CE1 . 16791 1 70 . 1 1 7 7 TYR CE2 C 13 118.107 . . 3 . . . . 7 Tyr CE2 . 16791 1 71 . 1 1 7 7 TYR N N 15 119.105 . . 1 . . . . 7 Tyr N . 16791 1 72 . 1 1 8 8 PRO HA H 1 4.386 . . 1 . . . . 8 Pro HA . 16791 1 73 . 1 1 8 8 PRO HB2 H 1 2.270 . . 2 . . . . 8 Pro HB2 . 16791 1 74 . 1 1 8 8 PRO HB3 H 1 1.904 . . 2 . . . . 8 Pro HB3 . 16791 1 75 . 1 1 8 8 PRO HD2 H 1 3.717 . . 2 . . . . 8 Pro HD2 . 16791 1 76 . 1 1 8 8 PRO HD3 H 1 3.803 . . 2 . . . . 8 Pro HD3 . 16791 1 77 . 1 1 8 8 PRO HG2 H 1 1.981 . . 2 . . . . 8 Pro HG2 . 16791 1 78 . 1 1 8 8 PRO HG3 H 1 1.888 . . 2 . . . . 8 Pro HG3 . 16791 1 79 . 1 1 8 8 PRO C C 13 176.765 . . 1 . . . . 8 Pro C . 16791 1 80 . 1 1 8 8 PRO CA C 13 63.492 . . 1 . . . . 8 Pro CA . 16791 1 81 . 1 1 8 8 PRO CB C 13 32.161 . . 1 . . . . 8 Pro CB . 16791 1 82 . 1 1 8 8 PRO CD C 13 50.710 . . 1 . . . . 8 Pro CD . 16791 1 83 . 1 1 8 8 PRO CG C 13 27.238 . . 1 . . . . 8 Pro CG . 16791 1 84 . 1 1 9 9 ARG H H 1 8.469 . . 1 . . . . 9 Arg H . 16791 1 85 . 1 1 9 9 ARG HA H 1 4.437 . . 1 . . . . 9 Arg HA . 16791 1 86 . 1 1 9 9 ARG HB2 H 1 1.711 . . 2 . . . . 9 Arg HB2 . 16791 1 87 . 1 1 9 9 ARG HB3 H 1 1.786 . . 2 . . . . 9 Arg HB3 . 16791 1 88 . 1 1 9 9 ARG HD2 H 1 2.923 . . 2 . . . . 9 Arg HD2 . 16791 1 89 . 1 1 9 9 ARG HD3 H 1 2.874 . . 2 . . . . 9 Arg HD3 . 16791 1 90 . 1 1 9 9 ARG HG2 H 1 1.529 . . 2 . . . . 9 Arg HG2 . 16791 1 91 . 1 1 9 9 ARG HG3 H 1 1.454 . . 2 . . . . 9 Arg HG3 . 16791 1 92 . 1 1 9 9 ARG C C 13 175.002 . . 1 . . . . 9 Arg C . 16791 1 93 . 1 1 9 9 ARG CA C 13 55.663 . . 1 . . . . 9 Arg CA . 16791 1 94 . 1 1 9 9 ARG CB C 13 30.956 . . 1 . . . . 9 Arg CB . 16791 1 95 . 1 1 9 9 ARG CD C 13 43.290 . . 1 . . . . 9 Arg CD . 16791 1 96 . 1 1 9 9 ARG CG C 13 27.175 . . 1 . . . . 9 Arg CG . 16791 1 97 . 1 1 9 9 ARG N N 15 122.105 . . 1 . . . . 9 Arg N . 16791 1 98 . 1 1 10 10 GLU H H 1 8.120 . . 1 . . . . 10 Glu H . 16791 1 99 . 1 1 10 10 GLU HA H 1 4.759 . . 1 . . . . 10 Glu HA . 16791 1 100 . 1 1 10 10 GLU HB2 H 1 2.091 . . 2 . . . . 10 Glu HB2 . 16791 1 101 . 1 1 10 10 GLU HB3 H 1 2.019 . . 2 . . . . 10 Glu HB3 . 16791 1 102 . 1 1 10 10 GLU HG2 H 1 2.301 . . 2 . . . . 10 Glu HG2 . 16791 1 103 . 1 1 10 10 GLU HG3 H 1 2.301 . . 2 . . . . 10 Glu HG3 . 16791 1 104 . 1 1 10 10 GLU C C 13 175.249 . . 1 . . . . 10 Glu C . 16791 1 105 . 1 1 10 10 GLU CA C 13 56.070 . . 1 . . . . 10 Glu CA . 16791 1 106 . 1 1 10 10 GLU CB C 13 32.610 . . 1 . . . . 10 Glu CB . 16791 1 107 . 1 1 10 10 GLU CG C 13 36.644 . . 1 . . . . 10 Glu CG . 16791 1 108 . 1 1 10 10 GLU N N 15 121.315 . . 1 . . . . 10 Glu N . 16791 1 109 . 1 1 11 11 ALA H H 1 9.636 . . 1 . . . . 11 Ala H . 16791 1 110 . 1 1 11 11 ALA HA H 1 5.106 . . 1 . . . . 11 Ala HA . 16791 1 111 . 1 1 11 11 ALA HB1 H 1 1.233 . . 1 . . . . 11 Ala HB . 16791 1 112 . 1 1 11 11 ALA HB2 H 1 1.233 . . 1 . . . . 11 Ala HB . 16791 1 113 . 1 1 11 11 ALA HB3 H 1 1.233 . . 1 . . . . 11 Ala HB . 16791 1 114 . 1 1 11 11 ALA C C 13 175.390 . . 1 . . . . 11 Ala C . 16791 1 115 . 1 1 11 11 ALA CA C 13 50.754 . . 1 . . . . 11 Ala CA . 16791 1 116 . 1 1 11 11 ALA CB C 13 23.294 . . 1 . . . . 11 Ala CB . 16791 1 117 . 1 1 11 11 ALA N N 15 128.755 . . 1 . . . . 11 Ala N . 16791 1 118 . 1 1 12 12 TYR H H 1 8.982 . . 1 . . . . 12 Tyr H . 16791 1 119 . 1 1 12 12 TYR HA H 1 4.976 . . 1 . . . . 12 Tyr HA . 16791 1 120 . 1 1 12 12 TYR HB2 H 1 3.086 . . 2 . . . . 12 Tyr HB2 . 16791 1 121 . 1 1 12 12 TYR HB3 H 1 2.938 . . 2 . . . . 12 Tyr HB3 . 16791 1 122 . 1 1 12 12 TYR HD1 H 1 6.804 . . 3 . . . . 12 Tyr HD1 . 16791 1 123 . 1 1 12 12 TYR HD2 H 1 6.804 . . 3 . . . . 12 Tyr HD2 . 16791 1 124 . 1 1 12 12 TYR HE1 H 1 6.577 . . 3 . . . . 12 Tyr HE1 . 16791 1 125 . 1 1 12 12 TYR HE2 H 1 6.577 . . 3 . . . . 12 Tyr HE2 . 16791 1 126 . 1 1 12 12 TYR C C 13 172.945 . . 1 . . . . 12 Tyr C . 16791 1 127 . 1 1 12 12 TYR CA C 13 55.723 . . 1 . . . . 12 Tyr CA . 16791 1 128 . 1 1 12 12 TYR CB C 13 40.064 . . 1 . . . . 12 Tyr CB . 16791 1 129 . 1 1 12 12 TYR CD1 C 13 134.194 . . 3 . . . . 12 Tyr CD1 . 16791 1 130 . 1 1 12 12 TYR CD2 C 13 134.194 . . 3 . . . . 12 Tyr CD2 . 16791 1 131 . 1 1 12 12 TYR CE1 C 13 117.829 . . 3 . . . . 12 Tyr CE1 . 16791 1 132 . 1 1 12 12 TYR CE2 C 13 117.829 . . 3 . . . . 12 Tyr CE2 . 16791 1 133 . 1 1 12 12 TYR N N 15 116.246 . . 1 . . . . 12 Tyr N . 16791 1 134 . 1 1 13 13 ILE H H 1 8.564 . . 1 . . . . 13 Ile H . 16791 1 135 . 1 1 13 13 ILE HA H 1 5.391 . . 1 . . . . 13 Ile HA . 16791 1 136 . 1 1 13 13 ILE HB H 1 1.697 . . 1 . . . . 13 Ile HB . 16791 1 137 . 1 1 13 13 ILE HD11 H 1 0.789 . . 1 . . . . 13 Ile HD1 . 16791 1 138 . 1 1 13 13 ILE HD12 H 1 0.789 . . 1 . . . . 13 Ile HD1 . 16791 1 139 . 1 1 13 13 ILE HD13 H 1 0.789 . . 1 . . . . 13 Ile HD1 . 16791 1 140 . 1 1 13 13 ILE HG12 H 1 1.534 . . 2 . . . . 13 Ile HG12 . 16791 1 141 . 1 1 13 13 ILE HG13 H 1 0.795 . . 2 . . . . 13 Ile HG13 . 16791 1 142 . 1 1 13 13 ILE HG21 H 1 0.964 . . 1 . . . . 13 Ile HG2 . 16791 1 143 . 1 1 13 13 ILE HG22 H 1 0.964 . . 1 . . . . 13 Ile HG2 . 16791 1 144 . 1 1 13 13 ILE HG23 H 1 0.964 . . 1 . . . . 13 Ile HG2 . 16791 1 145 . 1 1 13 13 ILE C C 13 176.943 . . 1 . . . . 13 Ile C . 16791 1 146 . 1 1 13 13 ILE CA C 13 59.799 . . 1 . . . . 13 Ile CA . 16791 1 147 . 1 1 13 13 ILE CB C 13 40.062 . . 1 . . . . 13 Ile CB . 16791 1 148 . 1 1 13 13 ILE CD1 C 13 13.964 . . 1 . . . . 13 Ile CD1 . 16791 1 149 . 1 1 13 13 ILE CG1 C 13 29.082 . . 1 . . . . 13 Ile CG1 . 16791 1 150 . 1 1 13 13 ILE CG2 C 13 17.967 . . 1 . . . . 13 Ile CG2 . 16791 1 151 . 1 1 13 13 ILE N N 15 119.980 . . 1 . . . . 13 Ile N . 16791 1 152 . 1 1 14 14 VAL H H 1 9.273 . . 1 . . . . 14 Val H . 16791 1 153 . 1 1 14 14 VAL HA H 1 4.779 . . 1 . . . . 14 Val HA . 16791 1 154 . 1 1 14 14 VAL HB H 1 2.149 . . 1 . . . . 14 Val HB . 16791 1 155 . 1 1 14 14 VAL HG11 H 1 1.080 . . 1 . . . . 14 Val HG1 . 16791 1 156 . 1 1 14 14 VAL HG12 H 1 1.080 . . 1 . . . . 14 Val HG1 . 16791 1 157 . 1 1 14 14 VAL HG13 H 1 1.080 . . 1 . . . . 14 Val HG1 . 16791 1 158 . 1 1 14 14 VAL HG21 H 1 1.040 . . 1 . . . . 14 Val HG2 . 16791 1 159 . 1 1 14 14 VAL HG22 H 1 1.040 . . 1 . . . . 14 Val HG2 . 16791 1 160 . 1 1 14 14 VAL HG23 H 1 1.040 . . 1 . . . . 14 Val HG2 . 16791 1 161 . 1 1 14 14 VAL C C 13 174.988 . . 1 . . . . 14 Val C . 16791 1 162 . 1 1 14 14 VAL CA C 13 60.079 . . 1 . . . . 14 Val CA . 16791 1 163 . 1 1 14 14 VAL CB C 13 35.615 . . 1 . . . . 14 Val CB . 16791 1 164 . 1 1 14 14 VAL CG1 C 13 21.281 . . 1 . . . . 14 Val CG1 . 16791 1 165 . 1 1 14 14 VAL CG2 C 13 20.934 . . 1 . . . . 14 Val CG2 . 16791 1 166 . 1 1 14 14 VAL N N 15 126.139 . . 1 . . . . 14 Val N . 16791 1 167 . 1 1 15 15 THR H H 1 8.442 . . 1 . . . . 15 Thr H . 16791 1 168 . 1 1 15 15 THR HA H 1 4.942 . . 1 . . . . 15 Thr HA . 16791 1 169 . 1 1 15 15 THR HB H 1 3.954 . . 1 . . . . 15 Thr HB . 16791 1 170 . 1 1 15 15 THR HG21 H 1 0.885 . . 1 . . . . 15 Thr HG2 . 16791 1 171 . 1 1 15 15 THR HG22 H 1 0.885 . . 1 . . . . 15 Thr HG2 . 16791 1 172 . 1 1 15 15 THR HG23 H 1 0.885 . . 1 . . . . 15 Thr HG2 . 16791 1 173 . 1 1 15 15 THR C C 13 174.329 . . 1 . . . . 15 Thr C . 16791 1 174 . 1 1 15 15 THR CA C 13 60.655 . . 1 . . . . 15 Thr CA . 16791 1 175 . 1 1 15 15 THR CB C 13 70.353 . . 1 . . . . 15 Thr CB . 16791 1 176 . 1 1 15 15 THR CG2 C 13 22.415 . . 1 . . . . 15 Thr CG2 . 16791 1 177 . 1 1 15 15 THR N N 15 116.535 . . 1 . . . . 15 Thr N . 16791 1 178 . 1 1 16 16 ILE H H 1 8.719 . . 1 . . . . 16 Ile H . 16791 1 179 . 1 1 16 16 ILE HA H 1 4.588 . . 1 . . . . 16 Ile HA . 16791 1 180 . 1 1 16 16 ILE HB H 1 1.630 . . 1 . . . . 16 Ile HB . 16791 1 181 . 1 1 16 16 ILE HD11 H 1 0.760 . . 1 . . . . 16 Ile HD1 . 16791 1 182 . 1 1 16 16 ILE HD12 H 1 0.760 . . 1 . . . . 16 Ile HD1 . 16791 1 183 . 1 1 16 16 ILE HD13 H 1 0.760 . . 1 . . . . 16 Ile HD1 . 16791 1 184 . 1 1 16 16 ILE HG12 H 1 1.368 . . 2 . . . . 16 Ile HG12 . 16791 1 185 . 1 1 16 16 ILE HG13 H 1 0.872 . . 2 . . . . 16 Ile HG13 . 16791 1 186 . 1 1 16 16 ILE HG21 H 1 0.751 . . 1 . . . . 16 Ile HG2 . 16791 1 187 . 1 1 16 16 ILE HG22 H 1 0.751 . . 1 . . . . 16 Ile HG2 . 16791 1 188 . 1 1 16 16 ILE HG23 H 1 0.751 . . 1 . . . . 16 Ile HG2 . 16791 1 189 . 1 1 16 16 ILE C C 13 173.133 . . 1 . . . . 16 Ile C . 16791 1 190 . 1 1 16 16 ILE CA C 13 59.244 . . 1 . . . . 16 Ile CA . 16791 1 191 . 1 1 16 16 ILE CB C 13 42.347 . . 1 . . . . 16 Ile CB . 16791 1 192 . 1 1 16 16 ILE CD1 C 13 14.371 . . 1 . . . . 16 Ile CD1 . 16791 1 193 . 1 1 16 16 ILE CG1 C 13 27.860 . . 1 . . . . 16 Ile CG1 . 16791 1 194 . 1 1 16 16 ILE CG2 C 13 17.556 . . 1 . . . . 16 Ile CG2 . 16791 1 195 . 1 1 16 16 ILE N N 15 119.995 . . 1 . . . . 16 Ile N . 16791 1 196 . 1 1 17 17 GLU H H 1 8.330 . . 1 . . . . 17 Glu H . 16791 1 197 . 1 1 17 17 GLU HA H 1 4.945 . . 1 . . . . 17 Glu HA . 16791 1 198 . 1 1 17 17 GLU HB2 H 1 1.856 . . 2 . . . . 17 Glu HB2 . 16791 1 199 . 1 1 17 17 GLU HB3 H 1 1.712 . . 2 . . . . 17 Glu HB3 . 16791 1 200 . 1 1 17 17 GLU HG2 H 1 2.104 . . 2 . . . . 17 Glu HG2 . 16791 1 201 . 1 1 17 17 GLU HG3 H 1 2.197 . . 2 . . . . 17 Glu HG3 . 16791 1 202 . 1 1 17 17 GLU C C 13 176.594 . . 1 . . . . 17 Glu C . 16791 1 203 . 1 1 17 17 GLU CA C 13 54.810 . . 1 . . . . 17 Glu CA . 16791 1 204 . 1 1 17 17 GLU CB C 13 30.907 . . 1 . . . . 17 Glu CB . 16791 1 205 . 1 1 17 17 GLU CG C 13 36.124 . . 1 . . . . 17 Glu CG . 16791 1 206 . 1 1 17 17 GLU N N 15 122.736 . . 1 . . . . 17 Glu N . 16791 1 207 . 1 1 18 18 LYS H H 1 9.039 . . 1 . . . . 18 Lys H . 16791 1 208 . 1 1 18 18 LYS HA H 1 4.660 . . 1 . . . . 18 Lys HA . 16791 1 209 . 1 1 18 18 LYS HB2 H 1 1.661 . . 2 . . . . 18 Lys HB2 . 16791 1 210 . 1 1 18 18 LYS HB3 H 1 1.582 . . 2 . . . . 18 Lys HB3 . 16791 1 211 . 1 1 18 18 LYS HD2 H 1 0.978 . . 2 . . . . 18 Lys HD2 . 16791 1 212 . 1 1 18 18 LYS HD3 H 1 0.601 . . 2 . . . . 18 Lys HD3 . 16791 1 213 . 1 1 18 18 LYS HE2 H 1 1.963 . . 2 . . . . 18 Lys HE2 . 16791 1 214 . 1 1 18 18 LYS HE3 H 1 2.231 . . 2 . . . . 18 Lys HE3 . 16791 1 215 . 1 1 18 18 LYS HG2 H 1 1.117 . . 2 . . . . 18 Lys HG2 . 16791 1 216 . 1 1 18 18 LYS HG3 H 1 1.061 . . 2 . . . . 18 Lys HG3 . 16791 1 217 . 1 1 18 18 LYS C C 13 176.032 . . 1 . . . . 18 Lys C . 16791 1 218 . 1 1 18 18 LYS CA C 13 55.565 . . 1 . . . . 18 Lys CA . 16791 1 219 . 1 1 18 18 LYS CB C 13 35.655 . . 1 . . . . 18 Lys CB . 16791 1 220 . 1 1 18 18 LYS CD C 13 29.040 . . 1 . . . . 18 Lys CD . 16791 1 221 . 1 1 18 18 LYS CE C 13 41.463 . . 1 . . . . 18 Lys CE . 16791 1 222 . 1 1 18 18 LYS CG C 13 25.433 . . 1 . . . . 18 Lys CG . 16791 1 223 . 1 1 18 18 LYS N N 15 122.983 . . 1 . . . . 18 Lys N . 16791 1 224 . 1 1 19 19 GLY H H 1 8.589 . . 1 . . . . 19 Gly H . 16791 1 225 . 1 1 19 19 GLY HA2 H 1 4.642 . . 2 . . . . 19 Gly HA2 . 16791 1 226 . 1 1 19 19 GLY HA3 H 1 3.751 . . 2 . . . . 19 Gly HA3 . 16791 1 227 . 1 1 19 19 GLY C C 13 173.225 . . 1 . . . . 19 Gly C . 16791 1 228 . 1 1 19 19 GLY CA C 13 43.674 . . 1 . . . . 19 Gly CA . 16791 1 229 . 1 1 19 19 GLY N N 15 110.655 . . 1 . . . . 19 Gly N . 16791 1 230 . 1 1 20 20 LYS H H 1 8.236 . . 1 . . . . 20 Lys H . 16791 1 231 . 1 1 20 20 LYS HA H 1 4.462 . . 1 . . . . 20 Lys HA . 16791 1 232 . 1 1 20 20 LYS HB2 H 1 1.788 . . 2 . . . . 20 Lys HB2 . 16791 1 233 . 1 1 20 20 LYS HB3 H 1 1.582 . . 2 . . . . 20 Lys HB3 . 16791 1 234 . 1 1 20 20 LYS HD2 H 1 1.671 . . 2 . . . . 20 Lys HD2 . 16791 1 235 . 1 1 20 20 LYS HD3 H 1 1.671 . . 2 . . . . 20 Lys HD3 . 16791 1 236 . 1 1 20 20 LYS HE2 H 1 2.978 . . 2 . . . . 20 Lys HE2 . 16791 1 237 . 1 1 20 20 LYS HE3 H 1 2.978 . . 2 . . . . 20 Lys HE3 . 16791 1 238 . 1 1 20 20 LYS HG2 H 1 1.468 . . 2 . . . . 20 Lys HG2 . 16791 1 239 . 1 1 20 20 LYS HG3 H 1 1.468 . . 2 . . . . 20 Lys HG3 . 16791 1 240 . 1 1 20 20 LYS CA C 13 54.433 . . 1 . . . . 20 Lys CA . 16791 1 241 . 1 1 20 20 LYS CB C 13 32.099 . . 1 . . . . 20 Lys CB . 16791 1 242 . 1 1 20 20 LYS CD C 13 29.239 . . 1 . . . . 20 Lys CD . 16791 1 243 . 1 1 20 20 LYS CE C 13 42.163 . . 1 . . . . 20 Lys CE . 16791 1 244 . 1 1 20 20 LYS CG C 13 24.737 . . 1 . . . . 20 Lys CG . 16791 1 245 . 1 1 20 20 LYS N N 15 121.545 . . 1 . . . . 20 Lys N . 16791 1 246 . 1 1 21 21 PRO HA H 1 4.183 . . 1 . . . . 21 Pro HA . 16791 1 247 . 1 1 21 21 PRO HB2 H 1 2.272 . . 2 . . . . 21 Pro HB2 . 16791 1 248 . 1 1 21 21 PRO HB3 H 1 1.851 . . 2 . . . . 21 Pro HB3 . 16791 1 249 . 1 1 21 21 PRO HD2 H 1 3.867 . . 2 . . . . 21 Pro HD2 . 16791 1 250 . 1 1 21 21 PRO HD3 H 1 3.546 . . 2 . . . . 21 Pro HD3 . 16791 1 251 . 1 1 21 21 PRO HG2 H 1 2.127 . . 2 . . . . 21 Pro HG2 . 16791 1 252 . 1 1 21 21 PRO HG3 H 1 1.982 . . 2 . . . . 21 Pro HG3 . 16791 1 253 . 1 1 21 21 PRO C C 13 177.845 . . 1 . . . . 21 Pro C . 16791 1 254 . 1 1 21 21 PRO CA C 13 64.554 . . 1 . . . . 21 Pro CA . 16791 1 255 . 1 1 21 21 PRO CB C 13 31.620 . . 1 . . . . 21 Pro CB . 16791 1 256 . 1 1 21 21 PRO CD C 13 50.395 . . 1 . . . . 21 Pro CD . 16791 1 257 . 1 1 21 21 PRO CG C 13 27.901 . . 1 . . . . 21 Pro CG . 16791 1 258 . 1 1 22 22 GLY H H 1 8.914 . . 1 . . . . 22 Gly H . 16791 1 259 . 1 1 22 22 GLY HA2 H 1 4.316 . . 2 . . . . 22 Gly HA2 . 16791 1 260 . 1 1 22 22 GLY HA3 H 1 3.721 . . 2 . . . . 22 Gly HA3 . 16791 1 261 . 1 1 22 22 GLY C C 13 174.548 . . 1 . . . . 22 Gly C . 16791 1 262 . 1 1 22 22 GLY CA C 13 45.419 . . 1 . . . . 22 Gly CA . 16791 1 263 . 1 1 22 22 GLY N N 15 113.893 . . 1 . . . . 22 Gly N . 16791 1 264 . 1 1 23 23 GLN H H 1 8.737 . . 1 . . . . 23 Gln H . 16791 1 265 . 1 1 23 23 GLN HA H 1 4.745 . . 1 . . . . 23 Gln HA . 16791 1 266 . 1 1 23 23 GLN HB2 H 1 2.258 . . 2 . . . . 23 Gln HB2 . 16791 1 267 . 1 1 23 23 GLN HB3 H 1 1.795 . . 2 . . . . 23 Gln HB3 . 16791 1 268 . 1 1 23 23 GLN HE21 H 1 7.601 . . 2 . . . . 23 Gln HE21 . 16791 1 269 . 1 1 23 23 GLN HE22 H 1 6.850 . . 2 . . . . 23 Gln HE22 . 16791 1 270 . 1 1 23 23 GLN HG2 H 1 2.253 . . 2 . . . . 23 Gln HG2 . 16791 1 271 . 1 1 23 23 GLN HG3 H 1 2.253 . . 2 . . . . 23 Gln HG3 . 16791 1 272 . 1 1 23 23 GLN C C 13 175.703 . . 1 . . . . 23 Gln C . 16791 1 273 . 1 1 23 23 GLN CA C 13 54.405 . . 1 . . . . 23 Gln CA . 16791 1 274 . 1 1 23 23 GLN CB C 13 29.869 . . 1 . . . . 23 Gln CB . 16791 1 275 . 1 1 23 23 GLN CG C 13 33.938 . . 1 . . . . 23 Gln CG . 16791 1 276 . 1 1 23 23 GLN N N 15 121.707 . . 1 . . . . 23 Gln N . 16791 1 277 . 1 1 23 23 GLN NE2 N 15 112.157 . . 1 . . . . 23 Gln NE2 . 16791 1 278 . 1 1 24 24 THR H H 1 7.792 . . 1 . . . . 24 Thr H . 16791 1 279 . 1 1 24 24 THR HA H 1 4.660 . . 1 . . . . 24 Thr HA . 16791 1 280 . 1 1 24 24 THR HB H 1 4.028 . . 1 . . . . 24 Thr HB . 16791 1 281 . 1 1 24 24 THR HG21 H 1 0.925 . . 1 . . . . 24 Thr HG2 . 16791 1 282 . 1 1 24 24 THR HG22 H 1 0.925 . . 1 . . . . 24 Thr HG2 . 16791 1 283 . 1 1 24 24 THR HG23 H 1 0.925 . . 1 . . . . 24 Thr HG2 . 16791 1 284 . 1 1 24 24 THR C C 13 174.954 . . 1 . . . . 24 Thr C . 16791 1 285 . 1 1 24 24 THR CA C 13 61.424 . . 1 . . . . 24 Thr CA . 16791 1 286 . 1 1 24 24 THR CB C 13 70.847 . . 1 . . . . 24 Thr CB . 16791 1 287 . 1 1 24 24 THR CG2 C 13 22.185 . . 1 . . . . 24 Thr CG2 . 16791 1 288 . 1 1 24 24 THR N N 15 112.725 . . 1 . . . . 24 Thr N . 16791 1 289 . 1 1 25 25 VAL H H 1 8.810 . . 1 . . . . 25 Val H . 16791 1 290 . 1 1 25 25 VAL HA H 1 4.405 . . 1 . . . . 25 Val HA . 16791 1 291 . 1 1 25 25 VAL HB H 1 2.099 . . 1 . . . . 25 Val HB . 16791 1 292 . 1 1 25 25 VAL HG11 H 1 0.947 . . 1 . . . . 25 Val HG1 . 16791 1 293 . 1 1 25 25 VAL HG12 H 1 0.947 . . 1 . . . . 25 Val HG1 . 16791 1 294 . 1 1 25 25 VAL HG13 H 1 0.947 . . 1 . . . . 25 Val HG1 . 16791 1 295 . 1 1 25 25 VAL HG21 H 1 1.044 . . 1 . . . . 25 Val HG2 . 16791 1 296 . 1 1 25 25 VAL HG22 H 1 1.044 . . 1 . . . . 25 Val HG2 . 16791 1 297 . 1 1 25 25 VAL HG23 H 1 1.044 . . 1 . . . . 25 Val HG2 . 16791 1 298 . 1 1 25 25 VAL C C 13 175.358 . . 1 . . . . 25 Val C . 16791 1 299 . 1 1 25 25 VAL CA C 13 60.985 . . 1 . . . . 25 Val CA . 16791 1 300 . 1 1 25 25 VAL CB C 13 35.806 . . 1 . . . . 25 Val CB . 16791 1 301 . 1 1 25 25 VAL CG1 C 13 21.370 . . 1 . . . . 25 Val CG1 . 16791 1 302 . 1 1 25 25 VAL CG2 C 13 21.155 . . 1 . . . . 25 Val CG2 . 16791 1 303 . 1 1 25 25 VAL N N 15 120.816 . . 1 . . . . 25 Val N . 16791 1 304 . 1 1 26 26 THR H H 1 8.546 . . 1 . . . . 26 Thr H . 16791 1 305 . 1 1 26 26 THR HA H 1 4.678 . . 1 . . . . 26 Thr HA . 16791 1 306 . 1 1 26 26 THR HB H 1 3.808 . . 1 . . . . 26 Thr HB . 16791 1 307 . 1 1 26 26 THR HG21 H 1 0.840 . . 1 . . . . 26 Thr HG2 . 16791 1 308 . 1 1 26 26 THR HG22 H 1 0.840 . . 1 . . . . 26 Thr HG2 . 16791 1 309 . 1 1 26 26 THR HG23 H 1 0.840 . . 1 . . . . 26 Thr HG2 . 16791 1 310 . 1 1 26 26 THR C C 13 173.948 . . 1 . . . . 26 Thr C . 16791 1 311 . 1 1 26 26 THR CA C 13 63.867 . . 1 . . . . 26 Thr CA . 16791 1 312 . 1 1 26 26 THR CB C 13 69.295 . . 1 . . . . 26 Thr CB . 16791 1 313 . 1 1 26 26 THR CG2 C 13 22.223 . . 1 . . . . 26 Thr CG2 . 16791 1 314 . 1 1 26 26 THR N N 15 124.595 . . 1 . . . . 26 Thr N . 16791 1 315 . 1 1 27 27 TRP H H 1 9.289 . . 1 . . . . 27 Trp H . 16791 1 316 . 1 1 27 27 TRP HA H 1 4.646 . . 1 . . . . 27 Trp HA . 16791 1 317 . 1 1 27 27 TRP HB2 H 1 3.055 . . 2 . . . . 27 Trp HB2 . 16791 1 318 . 1 1 27 27 TRP HB3 H 1 2.765 . . 2 . . . . 27 Trp HB3 . 16791 1 319 . 1 1 27 27 TRP HD1 H 1 7.185 . . 1 . . . . 27 Trp HD1 . 16791 1 320 . 1 1 27 27 TRP HE1 H 1 10.253 . . 1 . . . . 27 Trp HE1 . 16791 1 321 . 1 1 27 27 TRP HE3 H 1 7.303 . . 1 . . . . 27 Trp HE3 . 16791 1 322 . 1 1 27 27 TRP HH2 H 1 7.236 . . 1 . . . . 27 Trp HH2 . 16791 1 323 . 1 1 27 27 TRP HZ2 H 1 7.476 . . 1 . . . . 27 Trp HZ2 . 16791 1 324 . 1 1 27 27 TRP HZ3 H 1 6.929 . . 1 . . . . 27 Trp HZ3 . 16791 1 325 . 1 1 27 27 TRP C C 13 173.585 . . 1 . . . . 27 Trp C . 16791 1 326 . 1 1 27 27 TRP CA C 13 56.649 . . 1 . . . . 27 Trp CA . 16791 1 327 . 1 1 27 27 TRP CB C 13 32.152 . . 1 . . . . 27 Trp CB . 16791 1 328 . 1 1 27 27 TRP CD1 C 13 125.922 . . 1 . . . . 27 Trp CD1 . 16791 1 329 . 1 1 27 27 TRP CE3 C 13 120.380 . . 1 . . . . 27 Trp CE3 . 16791 1 330 . 1 1 27 27 TRP CH2 C 13 124.581 . . 1 . . . . 27 Trp CH2 . 16791 1 331 . 1 1 27 27 TRP CZ2 C 13 114.731 . . 1 . . . . 27 Trp CZ2 . 16791 1 332 . 1 1 27 27 TRP CZ3 C 13 120.257 . . 1 . . . . 27 Trp CZ3 . 16791 1 333 . 1 1 27 27 TRP N N 15 127.596 . . 1 . . . . 27 Trp N . 16791 1 334 . 1 1 27 27 TRP NE1 N 15 130.140 . . 1 . . . . 27 Trp NE1 . 16791 1 335 . 1 1 28 28 TYR H H 1 8.916 . . 1 . . . . 28 Tyr H . 16791 1 336 . 1 1 28 28 TYR HA H 1 4.767 . . 1 . . . . 28 Tyr HA . 16791 1 337 . 1 1 28 28 TYR HB2 H 1 2.776 . . 2 . . . . 28 Tyr HB2 . 16791 1 338 . 1 1 28 28 TYR HB3 H 1 2.426 . . 2 . . . . 28 Tyr HB3 . 16791 1 339 . 1 1 28 28 TYR HD1 H 1 6.722 . . 3 . . . . 28 Tyr HD1 . 16791 1 340 . 1 1 28 28 TYR HD2 H 1 6.722 . . 3 . . . . 28 Tyr HD2 . 16791 1 341 . 1 1 28 28 TYR HE1 H 1 6.652 . . 3 . . . . 28 Tyr HE1 . 16791 1 342 . 1 1 28 28 TYR HE2 H 1 6.652 . . 3 . . . . 28 Tyr HE2 . 16791 1 343 . 1 1 28 28 TYR C C 13 175.724 . . 1 . . . . 28 Tyr C . 16791 1 344 . 1 1 28 28 TYR CA C 13 57.352 . . 1 . . . . 28 Tyr CA . 16791 1 345 . 1 1 28 28 TYR CB C 13 40.517 . . 1 . . . . 28 Tyr CB . 16791 1 346 . 1 1 28 28 TYR CD1 C 13 132.931 . . 3 . . . . 28 Tyr CD1 . 16791 1 347 . 1 1 28 28 TYR CD2 C 13 132.931 . . 3 . . . . 28 Tyr CD2 . 16791 1 348 . 1 1 28 28 TYR CE1 C 13 118.154 . . 3 . . . . 28 Tyr CE1 . 16791 1 349 . 1 1 28 28 TYR CE2 C 13 118.154 . . 3 . . . . 28 Tyr CE2 . 16791 1 350 . 1 1 28 28 TYR N N 15 118.166 . . 1 . . . . 28 Tyr N . 16791 1 351 . 1 1 29 29 GLN H H 1 9.725 . . 1 . . . . 29 Gln H . 16791 1 352 . 1 1 29 29 GLN HA H 1 5.036 . . 1 . . . . 29 Gln HA . 16791 1 353 . 1 1 29 29 GLN HB2 H 1 2.277 . . 2 . . . . 29 Gln HB2 . 16791 1 354 . 1 1 29 29 GLN HB3 H 1 1.603 . . 2 . . . . 29 Gln HB3 . 16791 1 355 . 1 1 29 29 GLN HE21 H 1 8.401 . . 2 . . . . 29 Gln HE21 . 16791 1 356 . 1 1 29 29 GLN HE22 H 1 7.166 . . 2 . . . . 29 Gln HE22 . 16791 1 357 . 1 1 29 29 GLN HG2 H 1 2.209 . . 2 . . . . 29 Gln HG2 . 16791 1 358 . 1 1 29 29 GLN HG3 H 1 2.335 . . 2 . . . . 29 Gln HG3 . 16791 1 359 . 1 1 29 29 GLN C C 13 173.944 . . 1 . . . . 29 Gln C . 16791 1 360 . 1 1 29 29 GLN CA C 13 54.728 . . 1 . . . . 29 Gln CA . 16791 1 361 . 1 1 29 29 GLN CB C 13 30.266 . . 1 . . . . 29 Gln CB . 16791 1 362 . 1 1 29 29 GLN CG C 13 34.199 . . 1 . . . . 29 Gln CG . 16791 1 363 . 1 1 29 29 GLN N N 15 121.413 . . 1 . . . . 29 Gln N . 16791 1 364 . 1 1 29 29 GLN NE2 N 15 116.343 . . 1 . . . . 29 Gln NE2 . 16791 1 365 . 1 1 30 30 LEU H H 1 9.360 . . 1 . . . . 30 Leu H . 16791 1 366 . 1 1 30 30 LEU HA H 1 4.848 . . 1 . . . . 30 Leu HA . 16791 1 367 . 1 1 30 30 LEU HB2 H 1 2.342 . . 2 . . . . 30 Leu HB2 . 16791 1 368 . 1 1 30 30 LEU HB3 H 1 1.036 . . 2 . . . . 30 Leu HB3 . 16791 1 369 . 1 1 30 30 LEU HD11 H 1 0.719 . . 1 . . . . 30 Leu HD1 . 16791 1 370 . 1 1 30 30 LEU HD12 H 1 0.719 . . 1 . . . . 30 Leu HD1 . 16791 1 371 . 1 1 30 30 LEU HD13 H 1 0.719 . . 1 . . . . 30 Leu HD1 . 16791 1 372 . 1 1 30 30 LEU HD21 H 1 0.581 . . 1 . . . . 30 Leu HD2 . 16791 1 373 . 1 1 30 30 LEU HD22 H 1 0.581 . . 1 . . . . 30 Leu HD2 . 16791 1 374 . 1 1 30 30 LEU HD23 H 1 0.581 . . 1 . . . . 30 Leu HD2 . 16791 1 375 . 1 1 30 30 LEU HG H 1 1.079 . . 1 . . . . 30 Leu HG . 16791 1 376 . 1 1 30 30 LEU C C 13 174.795 . . 1 . . . . 30 Leu C . 16791 1 377 . 1 1 30 30 LEU CA C 13 54.014 . . 1 . . . . 30 Leu CA . 16791 1 378 . 1 1 30 30 LEU CB C 13 43.410 . . 1 . . . . 30 Leu CB . 16791 1 379 . 1 1 30 30 LEU CD1 C 13 24.774 . . 1 . . . . 30 Leu CD1 . 16791 1 380 . 1 1 30 30 LEU CD2 C 13 25.488 . . 1 . . . . 30 Leu CD2 . 16791 1 381 . 1 1 30 30 LEU CG C 13 27.064 . . 1 . . . . 30 Leu CG . 16791 1 382 . 1 1 30 30 LEU N N 15 125.766 . . 1 . . . . 30 Leu N . 16791 1 383 . 1 1 31 31 ARG H H 1 9.169 . . 1 . . . . 31 Arg H . 16791 1 384 . 1 1 31 31 ARG HA H 1 5.157 . . 1 . . . . 31 Arg HA . 16791 1 385 . 1 1 31 31 ARG HB2 H 1 1.402 . . 2 . . . . 31 Arg HB2 . 16791 1 386 . 1 1 31 31 ARG HB3 H 1 0.858 . . 2 . . . . 31 Arg HB3 . 16791 1 387 . 1 1 31 31 ARG HD2 H 1 3.100 . . 2 . . . . 31 Arg HD2 . 16791 1 388 . 1 1 31 31 ARG HD3 H 1 2.964 . . 2 . . . . 31 Arg HD3 . 16791 1 389 . 1 1 31 31 ARG HE H 1 6.587 . . 1 . . . . 31 Arg HE . 16791 1 390 . 1 1 31 31 ARG HG2 H 1 1.337 . . 2 . . . . 31 Arg HG2 . 16791 1 391 . 1 1 31 31 ARG HG3 H 1 1.213 . . 2 . . . . 31 Arg HG3 . 16791 1 392 . 1 1 31 31 ARG C C 13 172.557 . . 1 . . . . 31 Arg C . 16791 1 393 . 1 1 31 31 ARG CA C 13 54.507 . . 1 . . . . 31 Arg CA . 16791 1 394 . 1 1 31 31 ARG CB C 13 34.350 . . 1 . . . . 31 Arg CB . 16791 1 395 . 1 1 31 31 ARG CD C 13 43.444 . . 1 . . . . 31 Arg CD . 16791 1 396 . 1 1 31 31 ARG CG C 13 29.208 . . 1 . . . . 31 Arg CG . 16791 1 397 . 1 1 31 31 ARG N N 15 127.666 . . 1 . . . . 31 Arg N . 16791 1 398 . 1 1 31 31 ARG NE N 15 83.439 . . 1 . . . . 31 Arg NE . 16791 1 399 . 1 1 32 32 ALA H H 1 8.587 . . 1 . . . . 32 Ala H . 16791 1 400 . 1 1 32 32 ALA HA H 1 4.675 . . 1 . . . . 32 Ala HA . 16791 1 401 . 1 1 32 32 ALA HB1 H 1 1.456 . . 1 . . . . 32 Ala HB . 16791 1 402 . 1 1 32 32 ALA HB2 H 1 1.456 . . 1 . . . . 32 Ala HB . 16791 1 403 . 1 1 32 32 ALA HB3 H 1 1.456 . . 1 . . . . 32 Ala HB . 16791 1 404 . 1 1 32 32 ALA C C 13 176.343 . . 1 . . . . 32 Ala C . 16791 1 405 . 1 1 32 32 ALA CA C 13 51.451 . . 1 . . . . 32 Ala CA . 16791 1 406 . 1 1 32 32 ALA CB C 13 23.425 . . 1 . . . . 32 Ala CB . 16791 1 407 . 1 1 32 32 ALA N N 15 117.474 . . 1 . . . . 32 Ala N . 16791 1 408 . 1 1 33 33 ASP H H 1 9.097 . . 1 . . . . 33 Asp H . 16791 1 409 . 1 1 33 33 ASP HA H 1 5.441 . . 1 . . . . 33 Asp HA . 16791 1 410 . 1 1 33 33 ASP HB2 H 1 2.955 . . 2 . . . . 33 Asp HB2 . 16791 1 411 . 1 1 33 33 ASP HB3 H 1 2.528 . . 2 . . . . 33 Asp HB3 . 16791 1 412 . 1 1 33 33 ASP C C 13 174.003 . . 1 . . . . 33 Asp C . 16791 1 413 . 1 1 33 33 ASP CA C 13 54.047 . . 1 . . . . 33 Asp CA . 16791 1 414 . 1 1 33 33 ASP CB C 13 40.095 . . 1 . . . . 33 Asp CB . 16791 1 415 . 1 1 33 33 ASP N N 15 117.950 . . 1 . . . . 33 Asp N . 16791 1 416 . 1 1 34 34 HIS H H 1 7.085 . . 1 . . . . 34 His H . 16791 1 417 . 1 1 34 34 HIS HA H 1 4.508 . . 1 . . . . 34 His HA . 16791 1 418 . 1 1 34 34 HIS HB2 H 1 2.904 . . 2 . . . . 34 His HB2 . 16791 1 419 . 1 1 34 34 HIS HB3 H 1 2.904 . . 2 . . . . 34 His HB3 . 16791 1 420 . 1 1 34 34 HIS CA C 13 53.973 . . 1 . . . . 34 His CA . 16791 1 421 . 1 1 34 34 HIS CB C 13 33.560 . . 1 . . . . 34 His CB . 16791 1 422 . 1 1 34 34 HIS N N 15 117.252 . . 1 . . . . 34 His N . 16791 1 423 . 1 1 35 35 PRO HA H 1 3.826 . . 1 . . . . 35 Pro HA . 16791 1 424 . 1 1 35 35 PRO HB2 H 1 2.018 . . 2 . . . . 35 Pro HB2 . 16791 1 425 . 1 1 35 35 PRO HB3 H 1 1.923 . . 2 . . . . 35 Pro HB3 . 16791 1 426 . 1 1 35 35 PRO HD2 H 1 3.643 . . 2 . . . . 35 Pro HD2 . 16791 1 427 . 1 1 35 35 PRO HD3 H 1 3.361 . . 2 . . . . 35 Pro HD3 . 16791 1 428 . 1 1 35 35 PRO HG2 H 1 1.657 . . 2 . . . . 35 Pro HG2 . 16791 1 429 . 1 1 35 35 PRO HG3 H 1 1.908 . . 2 . . . . 35 Pro HG3 . 16791 1 430 . 1 1 35 35 PRO C C 13 175.363 . . 1 . . . . 35 Pro C . 16791 1 431 . 1 1 35 35 PRO CA C 13 63.669 . . 1 . . . . 35 Pro CA . 16791 1 432 . 1 1 35 35 PRO CB C 13 34.002 . . 1 . . . . 35 Pro CB . 16791 1 433 . 1 1 35 35 PRO CD C 13 49.464 . . 1 . . . . 35 Pro CD . 16791 1 434 . 1 1 35 35 PRO CG C 13 24.815 . . 1 . . . . 35 Pro CG . 16791 1 435 . 1 1 36 36 LYS H H 1 7.072 . . 1 . . . . 36 Lys H . 16791 1 436 . 1 1 36 36 LYS HB2 H 1 1.761 . . 2 . . . . 36 Lys HB2 . 16791 1 437 . 1 1 36 36 LYS HB3 H 1 1.497 . . 2 . . . . 36 Lys HB3 . 16791 1 438 . 1 1 36 36 LYS HD2 H 1 1.641 . . 2 . . . . 36 Lys HD2 . 16791 1 439 . 1 1 36 36 LYS HD3 H 1 1.686 . . 2 . . . . 36 Lys HD3 . 16791 1 440 . 1 1 36 36 LYS HE2 H 1 2.955 . . 2 . . . . 36 Lys HE2 . 16791 1 441 . 1 1 36 36 LYS HE3 H 1 2.958 . . 2 . . . . 36 Lys HE3 . 16791 1 442 . 1 1 36 36 LYS HG2 H 1 1.277 . . 2 . . . . 36 Lys HG2 . 16791 1 443 . 1 1 36 36 LYS HG3 H 1 1.278 . . 2 . . . . 36 Lys HG3 . 16791 1 444 . 1 1 36 36 LYS CA C 13 53.076 . . 1 . . . . 36 Lys CA . 16791 1 445 . 1 1 36 36 LYS CB C 13 33.846 . . 1 . . . . 36 Lys CB . 16791 1 446 . 1 1 36 36 LYS CD C 13 29.118 . . 1 . . . . 36 Lys CD . 16791 1 447 . 1 1 36 36 LYS CE C 13 42.099 . . 1 . . . . 36 Lys CE . 16791 1 448 . 1 1 36 36 LYS CG C 13 24.273 . . 1 . . . . 36 Lys CG . 16791 1 449 . 1 1 36 36 LYS N N 15 120.651 . . 1 . . . . 36 Lys N . 16791 1 450 . 1 1 37 37 PRO HA H 1 4.204 . . 1 . . . . 37 Pro HA . 16791 1 451 . 1 1 37 37 PRO HB2 H 1 2.273 . . 2 . . . . 37 Pro HB2 . 16791 1 452 . 1 1 37 37 PRO HB3 H 1 1.794 . . 2 . . . . 37 Pro HB3 . 16791 1 453 . 1 1 37 37 PRO HD2 H 1 3.547 . . 2 . . . . 37 Pro HD2 . 16791 1 454 . 1 1 37 37 PRO HD3 H 1 3.844 . . 2 . . . . 37 Pro HD3 . 16791 1 455 . 1 1 37 37 PRO HG2 H 1 2.128 . . 2 . . . . 37 Pro HG2 . 16791 1 456 . 1 1 37 37 PRO HG3 H 1 1.981 . . 2 . . . . 37 Pro HG3 . 16791 1 457 . 1 1 37 37 PRO C C 13 175.859 . . 1 . . . . 37 Pro C . 16791 1 458 . 1 1 37 37 PRO CA C 13 63.902 . . 1 . . . . 37 Pro CA . 16791 1 459 . 1 1 37 37 PRO CB C 13 31.818 . . 1 . . . . 37 Pro CB . 16791 1 460 . 1 1 37 37 PRO CD C 13 50.451 . . 1 . . . . 37 Pro CD . 16791 1 461 . 1 1 37 37 PRO CG C 13 27.836 . . 1 . . . . 37 Pro CG . 16791 1 462 . 1 1 38 38 ASP H H 1 9.367 . . 1 . . . . 38 Asp H . 16791 1 463 . 1 1 38 38 ASP HA H 1 4.380 . . 1 . . . . 38 Asp HA . 16791 1 464 . 1 1 38 38 ASP HB2 H 1 3.047 . . 2 . . . . 38 Asp HB2 . 16791 1 465 . 1 1 38 38 ASP HB3 H 1 2.438 . . 2 . . . . 38 Asp HB3 . 16791 1 466 . 1 1 38 38 ASP C C 13 176.097 . . 1 . . . . 38 Asp C . 16791 1 467 . 1 1 38 38 ASP CA C 13 55.036 . . 1 . . . . 38 Asp CA . 16791 1 468 . 1 1 38 38 ASP CB C 13 40.098 . . 1 . . . . 38 Asp CB . 16791 1 469 . 1 1 38 38 ASP N N 15 121.357 . . 1 . . . . 38 Asp N . 16791 1 470 . 1 1 39 39 SER H H 1 9.012 . . 1 . . . . 39 Ser H . 16791 1 471 . 1 1 39 39 SER HA H 1 4.356 . . 1 . . . . 39 Ser HA . 16791 1 472 . 1 1 39 39 SER HB2 H 1 3.963 . . 2 . . . . 39 Ser HB2 . 16791 1 473 . 1 1 39 39 SER HB3 H 1 3.637 . . 2 . . . . 39 Ser HB3 . 16791 1 474 . 1 1 39 39 SER C C 13 173.181 . . 1 . . . . 39 Ser C . 16791 1 475 . 1 1 39 39 SER CA C 13 60.154 . . 1 . . . . 39 Ser CA . 16791 1 476 . 1 1 39 39 SER CB C 13 64.251 . . 1 . . . . 39 Ser CB . 16791 1 477 . 1 1 39 39 SER N N 15 116.652 . . 1 . . . . 39 Ser N . 16791 1 478 . 1 1 40 40 LEU H H 1 8.604 . . 1 . . . . 40 Leu H . 16791 1 479 . 1 1 40 40 LEU HA H 1 4.208 . . 1 . . . . 40 Leu HA . 16791 1 480 . 1 1 40 40 LEU HB2 H 1 1.843 . . 2 . . . . 40 Leu HB2 . 16791 1 481 . 1 1 40 40 LEU HB3 H 1 1.219 . . 2 . . . . 40 Leu HB3 . 16791 1 482 . 1 1 40 40 LEU HD11 H 1 0.732 . . 1 . . . . 40 Leu HD1 . 16791 1 483 . 1 1 40 40 LEU HD12 H 1 0.732 . . 1 . . . . 40 Leu HD1 . 16791 1 484 . 1 1 40 40 LEU HD13 H 1 0.732 . . 1 . . . . 40 Leu HD1 . 16791 1 485 . 1 1 40 40 LEU HD21 H 1 0.728 . . 1 . . . . 40 Leu HD2 . 16791 1 486 . 1 1 40 40 LEU HD22 H 1 0.728 . . 1 . . . . 40 Leu HD2 . 16791 1 487 . 1 1 40 40 LEU HD23 H 1 0.728 . . 1 . . . . 40 Leu HD2 . 16791 1 488 . 1 1 40 40 LEU HG H 1 1.190 . . 1 . . . . 40 Leu HG . 16791 1 489 . 1 1 40 40 LEU C C 13 176.199 . . 1 . . . . 40 Leu C . 16791 1 490 . 1 1 40 40 LEU CA C 13 55.244 . . 1 . . . . 40 Leu CA . 16791 1 491 . 1 1 40 40 LEU CB C 13 42.384 . . 1 . . . . 40 Leu CB . 16791 1 492 . 1 1 40 40 LEU CD1 C 13 23.871 . . 1 . . . . 40 Leu CD1 . 16791 1 493 . 1 1 40 40 LEU CD2 C 13 25.843 . . 1 . . . . 40 Leu CD2 . 16791 1 494 . 1 1 40 40 LEU CG C 13 27.078 . . 1 . . . . 40 Leu CG . 16791 1 495 . 1 1 40 40 LEU N N 15 124.905 . . 1 . . . . 40 Leu N . 16791 1 496 . 1 1 41 41 ILE H H 1 9.410 . . 1 . . . . 41 Ile H . 16791 1 497 . 1 1 41 41 ILE HA H 1 4.057 . . 1 . . . . 41 Ile HA . 16791 1 498 . 1 1 41 41 ILE HB H 1 1.599 . . 1 . . . . 41 Ile HB . 16791 1 499 . 1 1 41 41 ILE HD11 H 1 0.308 . . 1 . . . . 41 Ile HD1 . 16791 1 500 . 1 1 41 41 ILE HD12 H 1 0.308 . . 1 . . . . 41 Ile HD1 . 16791 1 501 . 1 1 41 41 ILE HD13 H 1 0.308 . . 1 . . . . 41 Ile HD1 . 16791 1 502 . 1 1 41 41 ILE HG12 H 1 1.004 . . 2 . . . . 41 Ile HG12 . 16791 1 503 . 1 1 41 41 ILE HG13 H 1 0.864 . . 2 . . . . 41 Ile HG13 . 16791 1 504 . 1 1 41 41 ILE HG21 H 1 0.802 . . 1 . . . . 41 Ile HG2 . 16791 1 505 . 1 1 41 41 ILE HG22 H 1 0.802 . . 1 . . . . 41 Ile HG2 . 16791 1 506 . 1 1 41 41 ILE HG23 H 1 0.802 . . 1 . . . . 41 Ile HG2 . 16791 1 507 . 1 1 41 41 ILE C C 13 176.477 . . 1 . . . . 41 Ile C . 16791 1 508 . 1 1 41 41 ILE CA C 13 62.276 . . 1 . . . . 41 Ile CA . 16791 1 509 . 1 1 41 41 ILE CB C 13 37.097 . . 1 . . . . 41 Ile CB . 16791 1 510 . 1 1 41 41 ILE CD1 C 13 10.718 . . 1 . . . . 41 Ile CD1 . 16791 1 511 . 1 1 41 41 ILE CG1 C 13 26.865 . . 1 . . . . 41 Ile CG1 . 16791 1 512 . 1 1 41 41 ILE CG2 C 13 17.526 . . 1 . . . . 41 Ile CG2 . 16791 1 513 . 1 1 41 41 ILE N N 15 129.751 . . 1 . . . . 41 Ile N . 16791 1 514 . 1 1 42 42 SER H H 1 7.819 . . 1 . . . . 42 Ser H . 16791 1 515 . 1 1 42 42 SER HA H 1 4.429 . . 1 . . . . 42 Ser HA . 16791 1 516 . 1 1 42 42 SER HB2 H 1 4.036 . . 2 . . . . 42 Ser HB2 . 16791 1 517 . 1 1 42 42 SER HB3 H 1 3.671 . . 2 . . . . 42 Ser HB3 . 16791 1 518 . 1 1 42 42 SER C C 13 171.810 . . 1 . . . . 42 Ser C . 16791 1 519 . 1 1 42 42 SER CA C 13 58.102 . . 1 . . . . 42 Ser CA . 16791 1 520 . 1 1 42 42 SER CB C 13 62.385 . . 1 . . . . 42 Ser CB . 16791 1 521 . 1 1 42 42 SER N N 15 109.508 . . 1 . . . . 42 Ser N . 16791 1 522 . 1 1 43 43 GLU H H 1 8.330 . . 1 . . . . 43 Glu H . 16791 1 523 . 1 1 43 43 GLU HA H 1 5.282 . . 1 . . . . 43 Glu HA . 16791 1 524 . 1 1 43 43 GLU HB2 H 1 1.882 . . 2 . . . . 43 Glu HB2 . 16791 1 525 . 1 1 43 43 GLU HB3 H 1 1.986 . . 2 . . . . 43 Glu HB3 . 16791 1 526 . 1 1 43 43 GLU HG2 H 1 2.189 . . 2 . . . . 43 Glu HG2 . 16791 1 527 . 1 1 43 43 GLU HG3 H 1 2.114 . . 2 . . . . 43 Glu HG3 . 16791 1 528 . 1 1 43 43 GLU C C 13 174.950 . . 1 . . . . 43 Glu C . 16791 1 529 . 1 1 43 43 GLU CA C 13 55.270 . . 1 . . . . 43 Glu CA . 16791 1 530 . 1 1 43 43 GLU CB C 13 34.354 . . 1 . . . . 43 Glu CB . 16791 1 531 . 1 1 43 43 GLU CG C 13 38.049 . . 1 . . . . 43 Glu CG . 16791 1 532 . 1 1 43 43 GLU N N 15 117.699 . . 1 . . . . 43 Glu N . 16791 1 533 . 1 1 44 44 HIS H H 1 9.179 . . 1 . . . . 44 His H . 16791 1 534 . 1 1 44 44 HIS HA H 1 5.196 . . 1 . . . . 44 His HA . 16791 1 535 . 1 1 44 44 HIS HB2 H 1 3.134 . . 2 . . . . 44 His HB2 . 16791 1 536 . 1 1 44 44 HIS HB3 H 1 2.957 . . 2 . . . . 44 His HB3 . 16791 1 537 . 1 1 44 44 HIS CA C 13 54.068 . . 1 . . . . 44 His CA . 16791 1 538 . 1 1 44 44 HIS CB C 13 33.360 . . 1 . . . . 44 His CB . 16791 1 539 . 1 1 44 44 HIS N N 15 119.140 . . 1 . . . . 44 His N . 16791 1 540 . 1 1 45 45 PRO HA H 1 3.791 . . 1 . . . . 45 Pro HA . 16791 1 541 . 1 1 45 45 PRO HB2 H 1 1.770 . . 2 . . . . 45 Pro HB2 . 16791 1 542 . 1 1 45 45 PRO HB3 H 1 1.401 . . 2 . . . . 45 Pro HB3 . 16791 1 543 . 1 1 45 45 PRO HD2 H 1 4.067 . . 2 . . . . 45 Pro HD2 . 16791 1 544 . 1 1 45 45 PRO HD3 H 1 3.824 . . 2 . . . . 45 Pro HD3 . 16791 1 545 . 1 1 45 45 PRO HG2 H 1 2.103 . . 2 . . . . 45 Pro HG2 . 16791 1 546 . 1 1 45 45 PRO HG3 H 1 2.015 . . 2 . . . . 45 Pro HG3 . 16791 1 547 . 1 1 45 45 PRO C C 13 176.148 . . 1 . . . . 45 Pro C . 16791 1 548 . 1 1 45 45 PRO CA C 13 63.420 . . 1 . . . . 45 Pro CA . 16791 1 549 . 1 1 45 45 PRO CB C 13 32.175 . . 1 . . . . 45 Pro CB . 16791 1 550 . 1 1 45 45 PRO CD C 13 51.022 . . 1 . . . . 45 Pro CD . 16791 1 551 . 1 1 45 45 PRO CG C 13 26.974 . . 1 . . . . 45 Pro CG . 16791 1 552 . 1 1 46 46 THR H H 1 6.656 . . 1 . . . . 46 Thr H . 16791 1 553 . 1 1 46 46 THR HA H 1 4.545 . . 1 . . . . 46 Thr HA . 16791 1 554 . 1 1 46 46 THR HB H 1 4.346 . . 1 . . . . 46 Thr HB . 16791 1 555 . 1 1 46 46 THR HG21 H 1 1.140 . . 1 . . . . 46 Thr HG2 . 16791 1 556 . 1 1 46 46 THR HG22 H 1 1.140 . . 1 . . . . 46 Thr HG2 . 16791 1 557 . 1 1 46 46 THR HG23 H 1 1.140 . . 1 . . . . 46 Thr HG2 . 16791 1 558 . 1 1 46 46 THR C C 13 173.495 . . 1 . . . . 46 Thr C . 16791 1 559 . 1 1 46 46 THR CA C 13 58.822 . . 1 . . . . 46 Thr CA . 16791 1 560 . 1 1 46 46 THR CB C 13 73.033 . . 1 . . . . 46 Thr CB . 16791 1 561 . 1 1 46 46 THR CG2 C 13 21.492 . . 1 . . . . 46 Thr CG2 . 16791 1 562 . 1 1 46 46 THR N N 15 104.042 . . 1 . . . . 46 Thr N . 16791 1 563 . 1 1 47 47 ALA H H 1 8.151 . . 1 . . . . 47 Ala H . 16791 1 564 . 1 1 47 47 ALA HA H 1 2.894 . . 1 . . . . 47 Ala HA . 16791 1 565 . 1 1 47 47 ALA HB1 H 1 0.930 . . 1 . . . . 47 Ala HB . 16791 1 566 . 1 1 47 47 ALA HB2 H 1 0.930 . . 1 . . . . 47 Ala HB . 16791 1 567 . 1 1 47 47 ALA HB3 H 1 0.930 . . 1 . . . . 47 Ala HB . 16791 1 568 . 1 1 47 47 ALA C C 13 180.112 . . 1 . . . . 47 Ala C . 16791 1 569 . 1 1 47 47 ALA CA C 13 54.390 . . 1 . . . . 47 Ala CA . 16791 1 570 . 1 1 47 47 ALA CB C 13 17.496 . . 1 . . . . 47 Ala CB . 16791 1 571 . 1 1 47 47 ALA N N 15 125.757 . . 1 . . . . 47 Ala N . 16791 1 572 . 1 1 48 48 GLN H H 1 8.461 . . 1 . . . . 48 Gln H . 16791 1 573 . 1 1 48 48 GLN HA H 1 3.768 . . 1 . . . . 48 Gln HA . 16791 1 574 . 1 1 48 48 GLN HB2 H 1 2.081 . . 2 . . . . 48 Gln HB2 . 16791 1 575 . 1 1 48 48 GLN HB3 H 1 1.849 . . 2 . . . . 48 Gln HB3 . 16791 1 576 . 1 1 48 48 GLN HE21 H 1 7.653 . . 2 . . . . 48 Gln HE21 . 16791 1 577 . 1 1 48 48 GLN HE22 H 1 6.840 . . 2 . . . . 48 Gln HE22 . 16791 1 578 . 1 1 48 48 GLN HG2 H 1 2.354 . . 2 . . . . 48 Gln HG2 . 16791 1 579 . 1 1 48 48 GLN HG3 H 1 2.256 . . 2 . . . . 48 Gln HG3 . 16791 1 580 . 1 1 48 48 GLN C C 13 178.097 . . 1 . . . . 48 Gln C . 16791 1 581 . 1 1 48 48 GLN CA C 13 58.804 . . 1 . . . . 48 Gln CA . 16791 1 582 . 1 1 48 48 GLN CB C 13 28.015 . . 1 . . . . 48 Gln CB . 16791 1 583 . 1 1 48 48 GLN CG C 13 33.568 . . 1 . . . . 48 Gln CG . 16791 1 584 . 1 1 48 48 GLN N N 15 117.063 . . 1 . . . . 48 Gln N . 16791 1 585 . 1 1 48 48 GLN NE2 N 15 114.951 . . 1 . . . . 48 Gln NE2 . 16791 1 586 . 1 1 49 49 GLU H H 1 7.524 . . 1 . . . . 49 Glu H . 16791 1 587 . 1 1 49 49 GLU HA H 1 3.978 . . 1 . . . . 49 Glu HA . 16791 1 588 . 1 1 49 49 GLU HB2 H 1 2.091 . . 2 . . . . 49 Glu HB2 . 16791 1 589 . 1 1 49 49 GLU HB3 H 1 2.035 . . 2 . . . . 49 Glu HB3 . 16791 1 590 . 1 1 49 49 GLU HG2 H 1 2.270 . . 2 . . . . 49 Glu HG2 . 16791 1 591 . 1 1 49 49 GLU HG3 H 1 2.270 . . 2 . . . . 49 Glu HG3 . 16791 1 592 . 1 1 49 49 GLU C C 13 179.360 . . 1 . . . . 49 Glu C . 16791 1 593 . 1 1 49 49 GLU CA C 13 59.329 . . 1 . . . . 49 Glu CA . 16791 1 594 . 1 1 49 49 GLU CB C 13 30.604 . . 1 . . . . 49 Glu CB . 16791 1 595 . 1 1 49 49 GLU CG C 13 38.211 . . 1 . . . . 49 Glu CG . 16791 1 596 . 1 1 49 49 GLU N N 15 117.639 . . 1 . . . . 49 Glu N . 16791 1 597 . 1 1 50 50 ALA H H 1 7.242 . . 1 . . . . 50 Ala H . 16791 1 598 . 1 1 50 50 ALA HA H 1 3.309 . . 1 . . . . 50 Ala HA . 16791 1 599 . 1 1 50 50 ALA HB1 H 1 1.296 . . 1 . . . . 50 Ala HB . 16791 1 600 . 1 1 50 50 ALA HB2 H 1 1.296 . . 1 . . . . 50 Ala HB . 16791 1 601 . 1 1 50 50 ALA HB3 H 1 1.296 . . 1 . . . . 50 Ala HB . 16791 1 602 . 1 1 50 50 ALA C C 13 178.327 . . 1 . . . . 50 Ala C . 16791 1 603 . 1 1 50 50 ALA CA C 13 54.830 . . 1 . . . . 50 Ala CA . 16791 1 604 . 1 1 50 50 ALA CB C 13 18.124 . . 1 . . . . 50 Ala CB . 16791 1 605 . 1 1 50 50 ALA N N 15 122.230 . . 1 . . . . 50 Ala N . 16791 1 606 . 1 1 51 51 MET H H 1 8.413 . . 1 . . . . 51 Met H . 16791 1 607 . 1 1 51 51 MET HA H 1 4.009 . . 1 . . . . 51 Met HA . 16791 1 608 . 1 1 51 51 MET HB2 H 1 2.118 . . 2 . . . . 51 Met HB2 . 16791 1 609 . 1 1 51 51 MET HB3 H 1 2.005 . . 2 . . . . 51 Met HB3 . 16791 1 610 . 1 1 51 51 MET HG2 H 1 2.534 . . 2 . . . . 51 Met HG2 . 16791 1 611 . 1 1 51 51 MET HG3 H 1 2.483 . . 2 . . . . 51 Met HG3 . 16791 1 612 . 1 1 51 51 MET C C 13 179.335 . . 1 . . . . 51 Met C . 16791 1 613 . 1 1 51 51 MET CA C 13 58.338 . . 1 . . . . 51 Met CA . 16791 1 614 . 1 1 51 51 MET CB C 13 31.692 . . 1 . . . . 51 Met CB . 16791 1 615 . 1 1 51 51 MET CG C 13 32.558 . . 1 . . . . 51 Met CG . 16791 1 616 . 1 1 51 51 MET N N 15 118.809 . . 1 . . . . 51 Met N . 16791 1 617 . 1 1 52 52 ASP H H 1 8.296 . . 1 . . . . 52 Asp H . 16791 1 618 . 1 1 52 52 ASP HA H 1 4.360 . . 1 . . . . 52 Asp HA . 16791 1 619 . 1 1 52 52 ASP HB2 H 1 2.628 . . 2 . . . . 52 Asp HB2 . 16791 1 620 . 1 1 52 52 ASP HB3 H 1 2.571 . . 2 . . . . 52 Asp HB3 . 16791 1 621 . 1 1 52 52 ASP C C 13 178.693 . . 1 . . . . 52 Asp C . 16791 1 622 . 1 1 52 52 ASP CA C 13 57.325 . . 1 . . . . 52 Asp CA . 16791 1 623 . 1 1 52 52 ASP CB C 13 40.023 . . 1 . . . . 52 Asp CB . 16791 1 624 . 1 1 52 52 ASP N N 15 121.983 . . 1 . . . . 52 Asp N . 16791 1 625 . 1 1 53 53 ALA H H 1 7.678 . . 1 . . . . 53 Ala H . 16791 1 626 . 1 1 53 53 ALA HA H 1 3.992 . . 1 . . . . 53 Ala HA . 16791 1 627 . 1 1 53 53 ALA HB1 H 1 1.239 . . 1 . . . . 53 Ala HB . 16791 1 628 . 1 1 53 53 ALA HB2 H 1 1.239 . . 1 . . . . 53 Ala HB . 16791 1 629 . 1 1 53 53 ALA HB3 H 1 1.239 . . 1 . . . . 53 Ala HB . 16791 1 630 . 1 1 53 53 ALA C C 13 180.346 . . 1 . . . . 53 Ala C . 16791 1 631 . 1 1 53 53 ALA CA C 13 54.973 . . 1 . . . . 53 Ala CA . 16791 1 632 . 1 1 53 53 ALA CB C 13 18.816 . . 1 . . . . 53 Ala CB . 16791 1 633 . 1 1 53 53 ALA N N 15 123.311 . . 1 . . . . 53 Ala N . 16791 1 634 . 1 1 54 54 LYS H H 1 8.562 . . 1 . . . . 54 Lys H . 16791 1 635 . 1 1 54 54 LYS HA H 1 3.732 . . 1 . . . . 54 Lys HA . 16791 1 636 . 1 1 54 54 LYS HB2 H 1 2.201 . . 2 . . . . 54 Lys HB2 . 16791 1 637 . 1 1 54 54 LYS HB3 H 1 1.720 . . 2 . . . . 54 Lys HB3 . 16791 1 638 . 1 1 54 54 LYS HD2 H 1 1.713 . . 2 . . . . 54 Lys HD2 . 16791 1 639 . 1 1 54 54 LYS HD3 H 1 1.477 . . 2 . . . . 54 Lys HD3 . 16791 1 640 . 1 1 54 54 LYS HE2 H 1 3.198 . . 2 . . . . 54 Lys HE2 . 16791 1 641 . 1 1 54 54 LYS HE3 H 1 3.133 . . 2 . . . . 54 Lys HE3 . 16791 1 642 . 1 1 54 54 LYS HG2 H 1 1.328 . . 2 . . . . 54 Lys HG2 . 16791 1 643 . 1 1 54 54 LYS HG3 H 1 1.231 . . 2 . . . . 54 Lys HG3 . 16791 1 644 . 1 1 54 54 LYS C C 13 177.115 . . 1 . . . . 54 Lys C . 16791 1 645 . 1 1 54 54 LYS CA C 13 60.349 . . 1 . . . . 54 Lys CA . 16791 1 646 . 1 1 54 54 LYS CB C 13 33.299 . . 1 . . . . 54 Lys CB . 16791 1 647 . 1 1 54 54 LYS CD C 13 30.548 . . 1 . . . . 54 Lys CD . 16791 1 648 . 1 1 54 54 LYS CE C 13 42.218 . . 1 . . . . 54 Lys CE . 16791 1 649 . 1 1 54 54 LYS CG C 13 25.007 . . 1 . . . . 54 Lys CG . 16791 1 650 . 1 1 54 54 LYS N N 15 123.350 . . 1 . . . . 54 Lys N . 16791 1 651 . 1 1 55 55 LYS H H 1 7.782 . . 1 . . . . 55 Lys H . 16791 1 652 . 1 1 55 55 LYS HA H 1 4.148 . . 1 . . . . 55 Lys HA . 16791 1 653 . 1 1 55 55 LYS HB2 H 1 1.949 . . 2 . . . . 55 Lys HB2 . 16791 1 654 . 1 1 55 55 LYS HB3 H 1 1.949 . . 2 . . . . 55 Lys HB3 . 16791 1 655 . 1 1 55 55 LYS HD2 H 1 1.718 . . 2 . . . . 55 Lys HD2 . 16791 1 656 . 1 1 55 55 LYS HD3 H 1 1.718 . . 2 . . . . 55 Lys HD3 . 16791 1 657 . 1 1 55 55 LYS HE2 H 1 2.982 . . 2 . . . . 55 Lys HE2 . 16791 1 658 . 1 1 55 55 LYS HE3 H 1 2.982 . . 2 . . . . 55 Lys HE3 . 16791 1 659 . 1 1 55 55 LYS HG2 H 1 1.596 . . 2 . . . . 55 Lys HG2 . 16791 1 660 . 1 1 55 55 LYS HG3 H 1 1.489 . . 2 . . . . 55 Lys HG3 . 16791 1 661 . 1 1 55 55 LYS C C 13 179.316 . . 1 . . . . 55 Lys C . 16791 1 662 . 1 1 55 55 LYS CA C 13 59.233 . . 1 . . . . 55 Lys CA . 16791 1 663 . 1 1 55 55 LYS CB C 13 32.139 . . 1 . . . . 55 Lys CB . 16791 1 664 . 1 1 55 55 LYS CD C 13 29.272 . . 1 . . . . 55 Lys CD . 16791 1 665 . 1 1 55 55 LYS CE C 13 42.221 . . 1 . . . . 55 Lys CE . 16791 1 666 . 1 1 55 55 LYS CG C 13 25.068 . . 1 . . . . 55 Lys CG . 16791 1 667 . 1 1 55 55 LYS N N 15 118.557 . . 1 . . . . 55 Lys N . 16791 1 668 . 1 1 56 56 ARG H H 1 7.632 . . 1 . . . . 56 Arg H . 16791 1 669 . 1 1 56 56 ARG HA H 1 4.118 . . 1 . . . . 56 Arg HA . 16791 1 670 . 1 1 56 56 ARG HB2 H 1 1.867 . . 2 . . . . 56 Arg HB2 . 16791 1 671 . 1 1 56 56 ARG HB3 H 1 1.869 . . 2 . . . . 56 Arg HB3 . 16791 1 672 . 1 1 56 56 ARG HD2 H 1 3.282 . . 2 . . . . 56 Arg HD2 . 16791 1 673 . 1 1 56 56 ARG HD3 H 1 3.195 . . 2 . . . . 56 Arg HD3 . 16791 1 674 . 1 1 56 56 ARG HG2 H 1 1.603 . . 2 . . . . 56 Arg HG2 . 16791 1 675 . 1 1 56 56 ARG HG3 H 1 1.824 . . 2 . . . . 56 Arg HG3 . 16791 1 676 . 1 1 56 56 ARG C C 13 178.334 . . 1 . . . . 56 Arg C . 16791 1 677 . 1 1 56 56 ARG CA C 13 59.019 . . 1 . . . . 56 Arg CA . 16791 1 678 . 1 1 56 56 ARG CB C 13 30.534 . . 1 . . . . 56 Arg CB . 16791 1 679 . 1 1 56 56 ARG CD C 13 43.473 . . 1 . . . . 56 Arg CD . 16791 1 680 . 1 1 56 56 ARG CG C 13 28.061 . . 1 . . . . 56 Arg CG . 16791 1 681 . 1 1 56 56 ARG N N 15 117.044 . . 1 . . . . 56 Arg N . 16791 1 682 . 1 1 57 57 TYR H H 1 8.159 . . 1 . . . . 57 Tyr H . 16791 1 683 . 1 1 57 57 TYR HA H 1 4.030 . . 1 . . . . 57 Tyr HA . 16791 1 684 . 1 1 57 57 TYR HB2 H 1 3.142 . . 2 . . . . 57 Tyr HB2 . 16791 1 685 . 1 1 57 57 TYR HB3 H 1 3.050 . . 2 . . . . 57 Tyr HB3 . 16791 1 686 . 1 1 57 57 TYR HD1 H 1 6.948 . . 3 . . . . 57 Tyr HD1 . 16791 1 687 . 1 1 57 57 TYR HD2 H 1 6.948 . . 3 . . . . 57 Tyr HD2 . 16791 1 688 . 1 1 57 57 TYR HE1 H 1 6.684 . . 3 . . . . 57 Tyr HE1 . 16791 1 689 . 1 1 57 57 TYR HE2 H 1 6.684 . . 3 . . . . 57 Tyr HE2 . 16791 1 690 . 1 1 57 57 TYR C C 13 177.143 . . 1 . . . . 57 Tyr C . 16791 1 691 . 1 1 57 57 TYR CA C 13 61.414 . . 1 . . . . 57 Tyr CA . 16791 1 692 . 1 1 57 57 TYR CB C 13 39.179 . . 1 . . . . 57 Tyr CB . 16791 1 693 . 1 1 57 57 TYR CD1 C 13 133.373 . . 3 . . . . 57 Tyr CD1 . 16791 1 694 . 1 1 57 57 TYR CD2 C 13 133.373 . . 3 . . . . 57 Tyr CD2 . 16791 1 695 . 1 1 57 57 TYR CE1 C 13 117.962 . . 3 . . . . 57 Tyr CE1 . 16791 1 696 . 1 1 57 57 TYR CE2 C 13 117.962 . . 3 . . . . 57 Tyr CE2 . 16791 1 697 . 1 1 57 57 TYR N N 15 119.863 . . 1 . . . . 57 Tyr N . 16791 1 698 . 1 1 58 58 GLU H H 1 8.069 . . 1 . . . . 58 Glu H . 16791 1 699 . 1 1 58 58 GLU HA H 1 3.967 . . 1 . . . . 58 Glu HA . 16791 1 700 . 1 1 58 58 GLU HB2 H 1 2.145 . . 2 . . . . 58 Glu HB2 . 16791 1 701 . 1 1 58 58 GLU HB3 H 1 2.054 . . 2 . . . . 58 Glu HB3 . 16791 1 702 . 1 1 58 58 GLU HG2 H 1 2.861 . . 2 . . . . 58 Glu HG2 . 16791 1 703 . 1 1 58 58 GLU HG3 H 1 2.518 . . 2 . . . . 58 Glu HG3 . 16791 1 704 . 1 1 58 58 GLU C C 13 176.273 . . 1 . . . . 58 Glu C . 16791 1 705 . 1 1 58 58 GLU CA C 13 57.281 . . 1 . . . . 58 Glu CA . 16791 1 706 . 1 1 58 58 GLU CB C 13 30.286 . . 1 . . . . 58 Glu CB . 16791 1 707 . 1 1 58 58 GLU CG C 13 37.768 . . 1 . . . . 58 Glu CG . 16791 1 708 . 1 1 58 58 GLU N N 15 115.337 . . 1 . . . . 58 Glu N . 16791 1 709 . 1 1 59 59 ASP H H 1 7.487 . . 1 . . . . 59 Asp H . 16791 1 710 . 1 1 59 59 ASP HA H 1 4.857 . . 1 . . . . 59 Asp HA . 16791 1 711 . 1 1 59 59 ASP HB2 H 1 2.841 . . 2 . . . . 59 Asp HB2 . 16791 1 712 . 1 1 59 59 ASP HB3 H 1 2.659 . . 2 . . . . 59 Asp HB3 . 16791 1 713 . 1 1 59 59 ASP CA C 13 52.389 . . 1 . . . . 59 Asp CA . 16791 1 714 . 1 1 59 59 ASP CB C 13 41.447 . . 1 . . . . 59 Asp CB . 16791 1 715 . 1 1 59 59 ASP N N 15 119.922 . . 1 . . . . 59 Asp N . 16791 1 716 . 1 1 60 60 PRO HA H 1 4.393 . . 1 . . . . 60 Pro HA . 16791 1 717 . 1 1 60 60 PRO HB2 H 1 2.243 . . 2 . . . . 60 Pro HB2 . 16791 1 718 . 1 1 60 60 PRO HB3 H 1 1.928 . . 2 . . . . 60 Pro HB3 . 16791 1 719 . 1 1 60 60 PRO HD2 H 1 3.770 . . 2 . . . . 60 Pro HD2 . 16791 1 720 . 1 1 60 60 PRO HD3 H 1 3.768 . . 2 . . . . 60 Pro HD3 . 16791 1 721 . 1 1 60 60 PRO HG2 H 1 1.931 . . 2 . . . . 60 Pro HG2 . 16791 1 722 . 1 1 60 60 PRO HG3 H 1 1.931 . . 2 . . . . 60 Pro HG3 . 16791 1 723 . 1 1 60 60 PRO C C 13 177.801 . . 1 . . . . 60 Pro C . 16791 1 724 . 1 1 60 60 PRO CA C 13 63.937 . . 1 . . . . 60 Pro CA . 16791 1 725 . 1 1 60 60 PRO CB C 13 32.188 . . 1 . . . . 60 Pro CB . 16791 1 726 . 1 1 60 60 PRO CD C 13 50.657 . . 1 . . . . 60 Pro CD . 16791 1 727 . 1 1 60 60 PRO CG C 13 27.143 . . 1 . . . . 60 Pro CG . 16791 1 728 . 1 1 61 61 ASP H H 1 8.405 . . 1 . . . . 61 Asp H . 16791 1 729 . 1 1 61 61 ASP HA H 1 4.599 . . 1 . . . . 61 Asp HA . 16791 1 730 . 1 1 61 61 ASP HB2 H 1 2.732 . . 2 . . . . 61 Asp HB2 . 16791 1 731 . 1 1 61 61 ASP HB3 H 1 2.604 . . 2 . . . . 61 Asp HB3 . 16791 1 732 . 1 1 61 61 ASP C C 13 176.626 . . 1 . . . . 61 Asp C . 16791 1 733 . 1 1 61 61 ASP CA C 13 54.809 . . 1 . . . . 61 Asp CA . 16791 1 734 . 1 1 61 61 ASP CB C 13 40.952 . . 1 . . . . 61 Asp CB . 16791 1 735 . 1 1 61 61 ASP N N 15 119.041 . . 1 . . . . 61 Asp N . 16791 1 736 . 1 1 62 62 LYS H H 1 7.813 . . 1 . . . . 62 Lys H . 16791 1 737 . 1 1 62 62 LYS HA H 1 4.215 . . 1 . . . . 62 Lys HA . 16791 1 738 . 1 1 62 62 LYS HB2 H 1 1.807 . . 2 . . . . 62 Lys HB2 . 16791 1 739 . 1 1 62 62 LYS HB3 H 1 1.807 . . 2 . . . . 62 Lys HB3 . 16791 1 740 . 1 1 62 62 LYS HD2 H 1 1.647 . . 2 . . . . 62 Lys HD2 . 16791 1 741 . 1 1 62 62 LYS HD3 H 1 1.647 . . 2 . . . . 62 Lys HD3 . 16791 1 742 . 1 1 62 62 LYS HE2 H 1 2.966 . . 2 . . . . 62 Lys HE2 . 16791 1 743 . 1 1 62 62 LYS HE3 H 1 2.966 . . 2 . . . . 62 Lys HE3 . 16791 1 744 . 1 1 62 62 LYS HG2 H 1 1.387 . . 2 . . . . 62 Lys HG2 . 16791 1 745 . 1 1 62 62 LYS HG3 H 1 1.387 . . 2 . . . . 62 Lys HG3 . 16791 1 746 . 1 1 62 62 LYS C C 13 176.760 . . 1 . . . . 62 Lys C . 16791 1 747 . 1 1 62 62 LYS CA C 13 56.570 . . 1 . . . . 62 Lys CA . 16791 1 748 . 1 1 62 62 LYS CB C 13 32.749 . . 1 . . . . 62 Lys CB . 16791 1 749 . 1 1 62 62 LYS CD C 13 28.952 . . 1 . . . . 62 Lys CD . 16791 1 750 . 1 1 62 62 LYS CE C 13 42.221 . . 1 . . . . 62 Lys CE . 16791 1 751 . 1 1 62 62 LYS CG C 13 24.625 . . 1 . . . . 62 Lys CG . 16791 1 752 . 1 1 62 62 LYS N N 15 120.813 . . 1 . . . . 62 Lys N . 16791 1 753 . 1 1 63 63 GLU H H 1 8.386 . . 1 . . . . 63 Glu H . 16791 1 754 . 1 1 63 63 GLU HA H 1 4.187 . . 1 . . . . 63 Glu HA . 16791 1 755 . 1 1 63 63 GLU HB2 H 1 2.023 . . 2 . . . . 63 Glu HB2 . 16791 1 756 . 1 1 63 63 GLU HB3 H 1 1.909 . . 2 . . . . 63 Glu HB3 . 16791 1 757 . 1 1 63 63 GLU HG2 H 1 2.208 . . 2 . . . . 63 Glu HG2 . 16791 1 758 . 1 1 63 63 GLU HG3 H 1 2.258 . . 2 . . . . 63 Glu HG3 . 16791 1 759 . 1 1 63 63 GLU C C 13 176.830 . . 1 . . . . 63 Glu C . 16791 1 760 . 1 1 63 63 GLU CA C 13 56.935 . . 1 . . . . 63 Glu CA . 16791 1 761 . 1 1 63 63 GLU CB C 13 30.040 . . 1 . . . . 63 Glu CB . 16791 1 762 . 1 1 63 63 GLU CG C 13 36.297 . . 1 . . . . 63 Glu CG . 16791 1 763 . 1 1 63 63 GLU N N 15 121.390 . . 1 . . . . 63 Glu N . 16791 1 764 . 1 1 64 64 LEU H H 1 8.177 . . 1 . . . . 64 Leu H . 16791 1 765 . 1 1 64 64 LEU HA H 1 4.227 . . 1 . . . . 64 Leu HA . 16791 1 766 . 1 1 64 64 LEU HB2 H 1 1.585 . . 2 . . . . 64 Leu HB2 . 16791 1 767 . 1 1 64 64 LEU HB3 H 1 1.463 . . 2 . . . . 64 Leu HB3 . 16791 1 768 . 1 1 64 64 LEU HD11 H 1 0.872 . . 1 . . . . 64 Leu HD1 . 16791 1 769 . 1 1 64 64 LEU HD12 H 1 0.872 . . 1 . . . . 64 Leu HD1 . 16791 1 770 . 1 1 64 64 LEU HD13 H 1 0.872 . . 1 . . . . 64 Leu HD1 . 16791 1 771 . 1 1 64 64 LEU HD21 H 1 0.805 . . 1 . . . . 64 Leu HD2 . 16791 1 772 . 1 1 64 64 LEU HD22 H 1 0.805 . . 1 . . . . 64 Leu HD2 . 16791 1 773 . 1 1 64 64 LEU HD23 H 1 0.805 . . 1 . . . . 64 Leu HD2 . 16791 1 774 . 1 1 64 64 LEU HG H 1 1.571 . . 1 . . . . 64 Leu HG . 16791 1 775 . 1 1 64 64 LEU C C 13 177.599 . . 1 . . . . 64 Leu C . 16791 1 776 . 1 1 64 64 LEU CA C 13 55.400 . . 1 . . . . 64 Leu CA . 16791 1 777 . 1 1 64 64 LEU CB C 13 42.235 . . 1 . . . . 64 Leu CB . 16791 1 778 . 1 1 64 64 LEU CD1 C 13 25.042 . . 1 . . . . 64 Leu CD1 . 16791 1 779 . 1 1 64 64 LEU CD2 C 13 23.373 . . 1 . . . . 64 Leu CD2 . 16791 1 780 . 1 1 64 64 LEU CG C 13 26.971 . . 1 . . . . 64 Leu CG . 16791 1 781 . 1 1 64 64 LEU N N 15 121.903 . . 1 . . . . 64 Leu N . 16791 1 782 . 1 1 65 65 GLU H H 1 8.251 . . 1 . . . . 65 Glu H . 16791 1 783 . 1 1 65 65 GLU CA C 13 56.813 . . 1 . . . . 65 Glu CA . 16791 1 784 . 1 1 65 65 GLU N N 15 120.854 . . 1 . . . . 65 Glu N . 16791 1 stop_ save_