data_15486 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15486 _Entry.Title ; Complete Chemical Shift Assignments and XPLOR restraints for YmoA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-24 _Entry.Accession_date 2007-09-24 _Entry.Last_release_date 2008-03-12 _Entry.Original_release_date 2008-03-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.78 _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 Robert McFeeters . L. . 15486 2 'R. Andrew' Byrd . . . 15486 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15486 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Structural Biophysics Laboratory, National Cancer Institute' . 15486 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 15486 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15486 heteronucl_T1_relaxation 1 15486 heteronucl_T2_relaxation 1 15486 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 319 15486 '15N chemical shifts' 67 15486 '1H chemical shifts' 498 15486 'T1 relaxation values' 62 15486 'T2 relaxation values' 62 15486 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 . . 2008-03-12 2007-09-24 original author . 15486 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15486 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18001134 _Citation.Full_citation . _Citation.Title 'The high-precision solution structure of Yersinia modulating protein YmoA provides insight into interaction with H-NS' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 49 _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 13975 _Citation.Page_last 13982 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Robert McFeeters . L. . 15486 1 2 Amanda Altieri . S. . 15486 1 3 Scott Cherry . . . 15486 1 4 Joseph Tropea . E. . 15486 1 5 David Waugh . S. . 15486 1 6 'R. Andrew' Byrd . . . 15486 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15486 _Assembly.ID 1 _Assembly.Name 'YmoA monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ymoa_1 1 $YmoA A . yes native no no . . . 15486 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YmoA _Entity.Sf_category entity _Entity.Sf_framecode YmoA _Entity.Entry_ID 15486 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YmoA _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 ; GTKTDYLMRLRKCTTIDTLE RVIEKNKYELSDDELELFYS AADHRLAELTMNKLYDKIPP TVWQHVKHHHHHH ; _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 73 _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 8833.160 _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 2K5S . Ymoa . . . . . 100.00 73 100.00 100.00 4.76e-45 . . . . 15486 1 2 no DBJ GAE11657 . "hemolysin expression-modulating protein Hha [Yersinia pseudotuberculosis NBRC 105692]" . . . . . 90.41 67 100.00 100.00 2.39e-39 . . . . 15486 1 3 no EMBL CAA41091 . "ymoA [Yersinia enterocolitica W22703]" . . . . . 90.41 67 100.00 100.00 2.39e-39 . . . . 15486 1 4 no EMBL CAH20218 . "hemolysin expression modulating protein (involved in environmental [Yersinia pseudotuberculosis IP 32953]" . . . . . 90.41 67 100.00 100.00 2.39e-39 . . . . 15486 1 5 no EMBL CAL13150 . "modulating protein YmoA (histone-like protein) [Yersinia enterocolitica subsp. enterocolitica 8081]" . . . . . 90.41 67 100.00 100.00 2.39e-39 . . . . 15486 1 6 no EMBL CAL21733 . "modulating protein YmoA (histone-like protein) [Yersinia pestis CO92]" . . . . . 90.41 67 100.00 100.00 2.39e-39 . . . . 15486 1 7 no EMBL CBX70721 . "modulating protein ymoA [Yersinia enterocolitica W22703]" . . . . . 90.41 67 100.00 100.00 2.39e-39 . . . . 15486 1 8 no GB AAM84627 . "haemolysin expression modulating protein [Yersinia pestis KIM10+]" . . . . . 90.41 67 100.00 100.00 2.39e-39 . . . . 15486 1 9 no GB AAQ90017 . "YmoA [Yersinia enterocolitica]" . . . . . 90.41 67 100.00 100.00 2.39e-39 . . . . 15486 1 10 no GB AAS61058 . "modulating protein YmoA (histone-like protein) [Yersinia pestis biovar Microtus str. 91001]" . . . . . 90.41 67 100.00 100.00 2.39e-39 . . . . 15486 1 11 no GB AAY16112 . "YmoA [Yersinia enterocolitica]" . . . . . 90.41 67 100.00 100.00 2.39e-39 . . . . 15486 1 12 no GB AAY16113 . "YmoA [Yersinia enterocolitica]" . . . . . 90.41 67 100.00 100.00 2.39e-39 . . . . 15486 1 13 no REF WP_002208622 . "MULTISPECIES: modulating protein YmoA [Yersinia]" . . . . . 90.41 67 100.00 100.00 2.39e-39 . . . . 15486 1 14 no REF WP_016257260 . "transcriptional regulator, partial [Yersinia pestis]" . . . . . 83.56 62 100.00 100.00 6.98e-35 . . . . 15486 1 15 no REF WP_016261370 . "transcriptional regulator, partial [Yersinia pestis]" . . . . . 72.60 54 100.00 100.00 5.14e-28 . . . . 15486 1 16 no REF WP_016582302 . "transcriptional regulator, partial [Yersinia pestis]" . . . . . 84.93 63 100.00 100.00 3.20e-36 . . . . 15486 1 17 no REF WP_016590523 . "transcriptional regulator, partial [Yersinia pestis]" . . . . . 80.82 60 100.00 100.00 2.03e-33 . . . . 15486 1 18 no SP P0A3X0 . "RecName: Full=Modulating protein YmoA; AltName: Full=Histone-like protein" . . . . . 90.41 67 100.00 100.00 2.39e-39 . . . . 15486 1 19 no SP P0A3X1 . "RecName: Full=Modulating protein YmoA; AltName: Full=Histone-like protein" . . . . . 90.41 67 100.00 100.00 2.39e-39 . . . . 15486 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 . GLY . 15486 1 2 . THR . 15486 1 3 . LYS . 15486 1 4 . THR . 15486 1 5 . ASP . 15486 1 6 . TYR . 15486 1 7 . LEU . 15486 1 8 . MET . 15486 1 9 . ARG . 15486 1 10 . LEU . 15486 1 11 . ARG . 15486 1 12 . LYS . 15486 1 13 . CYS . 15486 1 14 . THR . 15486 1 15 . THR . 15486 1 16 . ILE . 15486 1 17 . ASP . 15486 1 18 . THR . 15486 1 19 . LEU . 15486 1 20 . GLU . 15486 1 21 . ARG . 15486 1 22 . VAL . 15486 1 23 . ILE . 15486 1 24 . GLU . 15486 1 25 . LYS . 15486 1 26 . ASN . 15486 1 27 . LYS . 15486 1 28 . TYR . 15486 1 29 . GLU . 15486 1 30 . LEU . 15486 1 31 . SER . 15486 1 32 . ASP . 15486 1 33 . ASP . 15486 1 34 . GLU . 15486 1 35 . LEU . 15486 1 36 . GLU . 15486 1 37 . LEU . 15486 1 38 . PHE . 15486 1 39 . TYR . 15486 1 40 . SER . 15486 1 41 . ALA . 15486 1 42 . ALA . 15486 1 43 . ASP . 15486 1 44 . HIS . 15486 1 45 . ARG . 15486 1 46 . LEU . 15486 1 47 . ALA . 15486 1 48 . GLU . 15486 1 49 . LEU . 15486 1 50 . THR . 15486 1 51 . MET . 15486 1 52 . ASN . 15486 1 53 . LYS . 15486 1 54 . LEU . 15486 1 55 . TYR . 15486 1 56 . ASP . 15486 1 57 . LYS . 15486 1 58 . ILE . 15486 1 59 . PRO . 15486 1 60 . PRO . 15486 1 61 . THR . 15486 1 62 . VAL . 15486 1 63 . TRP . 15486 1 64 . GLN . 15486 1 65 . HIS . 15486 1 66 . VAL . 15486 1 67 . LYS . 15486 1 68 . HIS . 15486 1 69 . HIS . 15486 1 70 . HIS . 15486 1 71 . HIS . 15486 1 72 . HIS . 15486 1 73 . HIS . 15486 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 . GLY 1 1 15486 1 . THR 2 2 15486 1 . LYS 3 3 15486 1 . THR 4 4 15486 1 . ASP 5 5 15486 1 . TYR 6 6 15486 1 . LEU 7 7 15486 1 . MET 8 8 15486 1 . ARG 9 9 15486 1 . LEU 10 10 15486 1 . ARG 11 11 15486 1 . LYS 12 12 15486 1 . CYS 13 13 15486 1 . THR 14 14 15486 1 . THR 15 15 15486 1 . ILE 16 16 15486 1 . ASP 17 17 15486 1 . THR 18 18 15486 1 . LEU 19 19 15486 1 . GLU 20 20 15486 1 . ARG 21 21 15486 1 . VAL 22 22 15486 1 . ILE 23 23 15486 1 . GLU 24 24 15486 1 . LYS 25 25 15486 1 . ASN 26 26 15486 1 . LYS 27 27 15486 1 . TYR 28 28 15486 1 . GLU 29 29 15486 1 . LEU 30 30 15486 1 . SER 31 31 15486 1 . ASP 32 32 15486 1 . ASP 33 33 15486 1 . GLU 34 34 15486 1 . LEU 35 35 15486 1 . GLU 36 36 15486 1 . LEU 37 37 15486 1 . PHE 38 38 15486 1 . TYR 39 39 15486 1 . SER 40 40 15486 1 . ALA 41 41 15486 1 . ALA 42 42 15486 1 . ASP 43 43 15486 1 . HIS 44 44 15486 1 . ARG 45 45 15486 1 . LEU 46 46 15486 1 . ALA 47 47 15486 1 . GLU 48 48 15486 1 . LEU 49 49 15486 1 . THR 50 50 15486 1 . MET 51 51 15486 1 . ASN 52 52 15486 1 . LYS 53 53 15486 1 . LEU 54 54 15486 1 . TYR 55 55 15486 1 . ASP 56 56 15486 1 . LYS 57 57 15486 1 . ILE 58 58 15486 1 . PRO 59 59 15486 1 . PRO 60 60 15486 1 . THR 61 61 15486 1 . VAL 62 62 15486 1 . TRP 63 63 15486 1 . GLN 64 64 15486 1 . HIS 65 65 15486 1 . VAL 66 66 15486 1 . LYS 67 67 15486 1 . HIS 68 68 15486 1 . HIS 69 69 15486 1 . HIS 70 70 15486 1 . HIS 71 71 15486 1 . HIS 72 72 15486 1 . HIS 73 73 15486 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 15486 _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 $YmoA . 632 organism . 'Yersinia pestis' 'Yersinia pestis' . . Bacteria . Yersinia pestis . . . . . . . . . . . . . . . . . . . . . 15486 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 15486 _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 $YmoA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'derivative of pMal-C2 (Invitrogen)' . . . . . . 15486 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15486 _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 YmoA '[U-99% 13C; U-99% 15N]' . . 1 $YmoA . . 1 . . mM . . . . 15486 1 2 'Sodium Phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15486 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 15486 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15486 1 5 H2O . . . . . . . 95 . . % . . . . 15486 1 6 D2O . . . . . . . 5 . . % . . . . 15486 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 15486 _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' 150 . mM 15486 1 pH 6 . pH 15486 1 pressure 1 . atm 15486 1 temperature 298 . K 15486 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15486 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15486 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15486 1 'data analysis' 15486 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15486 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15486 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15486 2 'structure solution' 15486 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15486 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15486 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15486 3 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 15486 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15486 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15486 _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 . 600 . . . 15486 1 2 spectrometer_2 Varian INOVA . 800 . . . 15486 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 15486 _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 . . . . . . . . . . . . . . . . . . . . . 15486 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15486 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15486 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15486 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15486 1 6 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15486 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15486 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15486 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15486 1 10 Jmod-NH no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15486 1 11 Jmod-HaCa no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15486 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15486 1 13 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15486 1 14 '15N T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15486 1 15 '15N T2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15486 1 16 Jmod-CoCa no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15486 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 15486 _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 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . . . . . 15486 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . . . . . 15486 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . . . . . 15486 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 15486 _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' . . . 15486 1 3 '3D CBCA(CO)NH' . . . 15486 1 4 '3D HNCACB' . . . 15486 1 5 '3D HNCO' . . . 15486 1 6 '3D HCACO' . . . 15486 1 9 '3D HCCH-TOCSY' . . . 15486 1 12 '3D H(CCO)NH' . . . 15486 1 13 '3D C(CO)NH' . . . 15486 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 $SPARKY . . 15486 1 2 $X-PLOR_NIH . . 15486 1 3 $NMRPipe . . 15486 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 GLY HA2 H 1 3.89 0.02 . 1 . . . . 1 GLY HA2 . 15486 1 2 . 1 1 1 1 GLY HA3 H 1 3.89 0.02 . 1 . . . . 1 GLY HA3 . 15486 1 3 . 1 1 1 1 GLY C C 13 177.60 0.2 . 1 . . . . 1 GLY C . 15486 1 4 . 1 1 1 1 GLY CA C 13 43.20 0.2 . 1 . . . . 1 GLY CA . 15486 1 5 . 1 1 2 2 THR H H 1 8.32 0.02 . 1 . . . . 2 THR H . 15486 1 6 . 1 1 2 2 THR HA H 1 4.68 0.02 . 1 . . . . 2 THR HA . 15486 1 7 . 1 1 2 2 THR HB H 1 4.56 0.02 . 1 . . . . 2 THR HB . 15486 1 8 . 1 1 2 2 THR HG21 H 1 1.26 0.02 . 1 . . . . 2 THR HG2 . 15486 1 9 . 1 1 2 2 THR HG22 H 1 1.26 0.02 . 1 . . . . 2 THR HG2 . 15486 1 10 . 1 1 2 2 THR HG23 H 1 1.26 0.02 . 1 . . . . 2 THR HG2 . 15486 1 11 . 1 1 2 2 THR C C 13 174.22 0.2 . 1 . . . . 2 THR C . 15486 1 12 . 1 1 2 2 THR CA C 13 60.31 0.2 . 1 . . . . 2 THR CA . 15486 1 13 . 1 1 2 2 THR CB C 13 72.06 0.2 . 1 . . . . 2 THR CB . 15486 1 14 . 1 1 2 2 THR CG2 C 13 21.69 0.2 . 1 . . . . 2 THR CG2 . 15486 1 15 . 1 1 2 2 THR N N 15 109.09 0.2 . 1 . . . . 2 THR N . 15486 1 16 . 1 1 3 3 LYS H H 1 9.22 0.02 . 1 . . . . 3 LYS H . 15486 1 17 . 1 1 3 3 LYS HA H 1 4.10 0.02 . 1 . . . . 3 LYS HA . 15486 1 18 . 1 1 3 3 LYS HB2 H 1 1.93 0.02 . 2 . . . . 3 LYS HB2 . 15486 1 19 . 1 1 3 3 LYS HB3 H 1 2.06 0.02 . 2 . . . . 3 LYS HB3 . 15486 1 20 . 1 1 3 3 LYS HD2 H 1 1.81 0.02 . 2 . . . . 3 LYS HD2 . 15486 1 21 . 1 1 3 3 LYS HD3 H 1 1.73 0.02 . 2 . . . . 3 LYS HD3 . 15486 1 22 . 1 1 3 3 LYS HE2 H 1 2.87 0.02 . 1 . . . . 3 LYS HE2 . 15486 1 23 . 1 1 3 3 LYS HE3 H 1 2.87 0.02 . 1 . . . . 3 LYS HE3 . 15486 1 24 . 1 1 3 3 LYS HG2 H 1 1.56 0.02 . 2 . . . . 3 LYS HG2 . 15486 1 25 . 1 1 3 3 LYS HG3 H 1 1.35 0.02 . 2 . . . . 3 LYS HG3 . 15486 1 26 . 1 1 3 3 LYS C C 13 178.05 0.2 . 1 . . . . 3 LYS C . 15486 1 27 . 1 1 3 3 LYS CA C 13 60.08 0.2 . 1 . . . . 3 LYS CA . 15486 1 28 . 1 1 3 3 LYS CB C 13 32.66 0.2 . 1 . . . . 3 LYS CB . 15486 1 29 . 1 1 3 3 LYS CD C 13 29.65 0.2 . 1 . . . . 3 LYS CD . 15486 1 30 . 1 1 3 3 LYS CE C 13 42.02 0.2 . 1 . . . . 3 LYS CE . 15486 1 31 . 1 1 3 3 LYS CG C 13 25.14 0.2 . 1 . . . . 3 LYS CG . 15486 1 32 . 1 1 3 3 LYS N N 15 121.81 0.2 . 1 . . . . 3 LYS N . 15486 1 33 . 1 1 4 4 THR H H 1 8.17 0.02 . 1 . . . . 4 THR H . 15486 1 34 . 1 1 4 4 THR HA H 1 3.82 0.02 . 1 . . . . 4 THR HA . 15486 1 35 . 1 1 4 4 THR HB H 1 3.99 0.02 . 1 . . . . 4 THR HB . 15486 1 36 . 1 1 4 4 THR HG21 H 1 1.15 0.02 . 1 . . . . 4 THR HG2 . 15486 1 37 . 1 1 4 4 THR HG22 H 1 1.15 0.02 . 1 . . . . 4 THR HG2 . 15486 1 38 . 1 1 4 4 THR HG23 H 1 1.15 0.02 . 1 . . . . 4 THR HG2 . 15486 1 39 . 1 1 4 4 THR C C 13 175.10 0.2 . 1 . . . . 4 THR C . 15486 1 40 . 1 1 4 4 THR CA C 13 66.16 0.2 . 1 . . . . 4 THR CA . 15486 1 41 . 1 1 4 4 THR CB C 13 68.65 0.2 . 1 . . . . 4 THR CB . 15486 1 42 . 1 1 4 4 THR CG2 C 13 22.08 0.2 . 1 . . . . 4 THR CG2 . 15486 1 43 . 1 1 4 4 THR N N 15 113.57 0.2 . 1 . . . . 4 THR N . 15486 1 44 . 1 1 5 5 ASP H H 1 7.92 0.02 . 1 . . . . 5 ASP H . 15486 1 45 . 1 1 5 5 ASP HA H 1 4.33 0.02 . 1 . . . . 5 ASP HA . 15486 1 46 . 1 1 5 5 ASP HB2 H 1 2.56 0.02 . 2 . . . . 5 ASP HB2 . 15486 1 47 . 1 1 5 5 ASP HB3 H 1 2.50 0.02 . 2 . . . . 5 ASP HB3 . 15486 1 48 . 1 1 5 5 ASP C C 13 179.20 0.2 . 1 . . . . 5 ASP C . 15486 1 49 . 1 1 5 5 ASP CA C 13 57.05 0.2 . 1 . . . . 5 ASP CA . 15486 1 50 . 1 1 5 5 ASP CB C 13 40.58 0.2 . 1 . . . . 5 ASP CB . 15486 1 51 . 1 1 5 5 ASP N N 15 122.01 0.2 . 1 . . . . 5 ASP N . 15486 1 52 . 1 1 6 6 TYR H H 1 7.77 0.02 . 1 . . . . 6 TYR H . 15486 1 53 . 1 1 6 6 TYR HA H 1 4.38 0.02 . 1 . . . . 6 TYR HA . 15486 1 54 . 1 1 6 6 TYR HB2 H 1 2.94 0.02 . 2 . . . . 6 TYR HB2 . 15486 1 55 . 1 1 6 6 TYR HB3 H 1 2.85 0.02 . 2 . . . . 6 TYR HB3 . 15486 1 56 . 1 1 6 6 TYR HD1 H 1 7.10 0.02 . 1 . . . . 6 TYR HD1 . 15486 1 57 . 1 1 6 6 TYR HD2 H 1 7.10 0.02 . 1 . . . . 6 TYR HD2 . 15486 1 58 . 1 1 6 6 TYR HE1 H 1 6.91 0.02 . 1 . . . . 6 TYR HE1 . 15486 1 59 . 1 1 6 6 TYR HE2 H 1 6.91 0.02 . 1 . . . . 6 TYR HE2 . 15486 1 60 . 1 1 6 6 TYR C C 13 178.15 0.2 . 1 . . . . 6 TYR C . 15486 1 61 . 1 1 6 6 TYR CA C 13 61.78 0.2 . 1 . . . . 6 TYR CA . 15486 1 62 . 1 1 6 6 TYR CB C 13 38.37 0.2 . 1 . . . . 6 TYR CB . 15486 1 63 . 1 1 6 6 TYR CD1 C 13 132.69 0.2 . 1 . . . . 6 TYR CD1 . 15486 1 64 . 1 1 6 6 TYR CD2 C 13 132.69 0.2 . 1 . . . . 6 TYR CD2 . 15486 1 65 . 1 1 6 6 TYR CE1 C 13 118.46 0.2 . 1 . . . . 6 TYR CE1 . 15486 1 66 . 1 1 6 6 TYR CE2 C 13 118.46 0.2 . 1 . . . . 6 TYR CE2 . 15486 1 67 . 1 1 6 6 TYR N N 15 117.39 0.2 . 1 . . . . 6 TYR N . 15486 1 68 . 1 1 7 7 LEU H H 1 8.86 0.02 . 1 . . . . 7 LEU H . 15486 1 69 . 1 1 7 7 LEU HA H 1 3.96 0.02 . 1 . . . . 7 LEU HA . 15486 1 70 . 1 1 7 7 LEU HB2 H 1 2.01 0.02 . 2 . . . . 7 LEU HB2 . 15486 1 71 . 1 1 7 7 LEU HB3 H 1 1.27 0.02 . 2 . . . . 7 LEU HB3 . 15486 1 72 . 1 1 7 7 LEU HD11 H 1 0.38 0.02 . 1 . . . . 7 LEU HD1 . 15486 1 73 . 1 1 7 7 LEU HD12 H 1 0.38 0.02 . 1 . . . . 7 LEU HD1 . 15486 1 74 . 1 1 7 7 LEU HD13 H 1 0.38 0.02 . 1 . . . . 7 LEU HD1 . 15486 1 75 . 1 1 7 7 LEU HD21 H 1 0.86 0.02 . 1 . . . . 7 LEU HD2 . 15486 1 76 . 1 1 7 7 LEU HD22 H 1 0.86 0.02 . 1 . . . . 7 LEU HD2 . 15486 1 77 . 1 1 7 7 LEU HD23 H 1 0.86 0.02 . 1 . . . . 7 LEU HD2 . 15486 1 78 . 1 1 7 7 LEU HG H 1 1.36 0.02 . 1 . . . . 7 LEU HG . 15486 1 79 . 1 1 7 7 LEU C C 13 177.85 0.2 . 1 . . . . 7 LEU C . 15486 1 80 . 1 1 7 7 LEU CA C 13 58.63 0.2 . 1 . . . . 7 LEU CA . 15486 1 81 . 1 1 7 7 LEU CB C 13 41.65 0.2 . 1 . . . . 7 LEU CB . 15486 1 82 . 1 1 7 7 LEU CD1 C 13 24.87 0.2 . 2 . . . . 7 LEU CD1 . 15486 1 83 . 1 1 7 7 LEU CD2 C 13 23.00 0.2 . 2 . . . . 7 LEU CD2 . 15486 1 84 . 1 1 7 7 LEU CG C 13 27.42 0.2 . 1 . . . . 7 LEU CG . 15486 1 85 . 1 1 7 7 LEU N N 15 121.05 0.2 . 1 . . . . 7 LEU N . 15486 1 86 . 1 1 8 8 MET H H 1 8.36 0.02 . 1 . . . . 8 MET H . 15486 1 87 . 1 1 8 8 MET HA H 1 4.23 0.02 . 1 . . . . 8 MET HA . 15486 1 88 . 1 1 8 8 MET HB2 H 1 2.26 0.02 . 2 . . . . 8 MET HB2 . 15486 1 89 . 1 1 8 8 MET HB3 H 1 2.08 0.02 . 2 . . . . 8 MET HB3 . 15486 1 90 . 1 1 8 8 MET HG2 H 1 2.83 0.02 . 2 . . . . 8 MET HG2 . 15486 1 91 . 1 1 8 8 MET HG3 H 1 2.76 0.02 . 2 . . . . 8 MET HG3 . 15486 1 92 . 1 1 8 8 MET C C 13 179.89 0.2 . 1 . . . . 8 MET C . 15486 1 93 . 1 1 8 8 MET CA C 13 58.13 0.2 . 1 . . . . 8 MET CA . 15486 1 94 . 1 1 8 8 MET CB C 13 31.54 0.2 . 1 . . . . 8 MET CB . 15486 1 95 . 1 1 8 8 MET CG C 13 32.39 0.2 . 1 . . . . 8 MET CG . 15486 1 96 . 1 1 8 8 MET N N 15 115.93 0.2 . 1 . . . . 8 MET N . 15486 1 97 . 1 1 9 9 ARG H H 1 7.45 0.02 . 1 . . . . 9 ARG H . 15486 1 98 . 1 1 9 9 ARG HA H 1 4.25 0.02 . 1 . . . . 9 ARG HA . 15486 1 99 . 1 1 9 9 ARG HB2 H 1 2.14 0.02 . 2 . . . . 9 ARG HB2 . 15486 1 100 . 1 1 9 9 ARG HB3 H 1 2.11 0.02 . 2 . . . . 9 ARG HB3 . 15486 1 101 . 1 1 9 9 ARG HD2 H 1 3.31 0.02 . 2 . . . . 9 ARG HD2 . 15486 1 102 . 1 1 9 9 ARG HD3 H 1 3.23 0.02 . 2 . . . . 9 ARG HD3 . 15486 1 103 . 1 1 9 9 ARG HG2 H 1 1.93 0.02 . 2 . . . . 9 ARG HG2 . 15486 1 104 . 1 1 9 9 ARG HG3 H 1 1.81 0.02 . 2 . . . . 9 ARG HG3 . 15486 1 105 . 1 1 9 9 ARG C C 13 180.12 0.2 . 1 . . . . 9 ARG C . 15486 1 106 . 1 1 9 9 ARG CA C 13 59.34 0.2 . 1 . . . . 9 ARG CA . 15486 1 107 . 1 1 9 9 ARG CB C 13 30.27 0.2 . 1 . . . . 9 ARG CB . 15486 1 108 . 1 1 9 9 ARG CD C 13 43.95 0.2 . 1 . . . . 9 ARG CD . 15486 1 109 . 1 1 9 9 ARG CG C 13 27.42 0.2 . 1 . . . . 9 ARG CG . 15486 1 110 . 1 1 9 9 ARG N N 15 117.70 0.2 . 1 . . . . 9 ARG N . 15486 1 111 . 1 1 10 10 LEU H H 1 8.46 0.02 . 1 . . . . 10 LEU H . 15486 1 112 . 1 1 10 10 LEU HA H 1 4.46 0.02 . 1 . . . . 10 LEU HA . 15486 1 113 . 1 1 10 10 LEU HB2 H 1 1.89 0.02 . 2 . . . . 10 LEU HB2 . 15486 1 114 . 1 1 10 10 LEU HB3 H 1 1.41 0.02 . 2 . . . . 10 LEU HB3 . 15486 1 115 . 1 1 10 10 LEU HD11 H 1 0.44 0.02 . 1 . . . . 10 LEU HD1 . 15486 1 116 . 1 1 10 10 LEU HD12 H 1 0.44 0.02 . 1 . . . . 10 LEU HD1 . 15486 1 117 . 1 1 10 10 LEU HD13 H 1 0.44 0.02 . 1 . . . . 10 LEU HD1 . 15486 1 118 . 1 1 10 10 LEU HD21 H 1 0.94 0.02 . 1 . . . . 10 LEU HD2 . 15486 1 119 . 1 1 10 10 LEU HD22 H 1 0.94 0.02 . 1 . . . . 10 LEU HD2 . 15486 1 120 . 1 1 10 10 LEU HD23 H 1 0.94 0.02 . 1 . . . . 10 LEU HD2 . 15486 1 121 . 1 1 10 10 LEU HG H 1 2.11 0.02 . 1 . . . . 10 LEU HG . 15486 1 122 . 1 1 10 10 LEU C C 13 180.19 0.2 . 1 . . . . 10 LEU C . 15486 1 123 . 1 1 10 10 LEU CA C 13 56.78 0.2 . 1 . . . . 10 LEU CA . 15486 1 124 . 1 1 10 10 LEU CB C 13 40.88 0.2 . 1 . . . . 10 LEU CB . 15486 1 125 . 1 1 10 10 LEU CD1 C 13 25.14 0.2 . 2 . . . . 10 LEU CD1 . 15486 1 126 . 1 1 10 10 LEU CD2 C 13 22.04 0.2 . 2 . . . . 10 LEU CD2 . 15486 1 127 . 1 1 10 10 LEU CG C 13 25.86 0.2 . 1 . . . . 10 LEU CG . 15486 1 128 . 1 1 10 10 LEU N N 15 119.69 0.2 . 1 . . . . 10 LEU N . 15486 1 129 . 1 1 11 11 ARG H H 1 8.51 0.02 . 1 . . . . 11 ARG H . 15486 1 130 . 1 1 11 11 ARG HA H 1 4.03 0.02 . 1 . . . . 11 ARG HA . 15486 1 131 . 1 1 11 11 ARG HB2 H 1 2.10 0.02 . 2 . . . . 11 ARG HB2 . 15486 1 132 . 1 1 11 11 ARG HB3 H 1 1.77 0.02 . 2 . . . . 11 ARG HB3 . 15486 1 133 . 1 1 11 11 ARG HD2 H 1 3.11 0.02 . 2 . . . . 11 ARG HD2 . 15486 1 134 . 1 1 11 11 ARG HD3 H 1 2.99 0.02 . 2 . . . . 11 ARG HD3 . 15486 1 135 . 1 1 11 11 ARG HG2 H 1 2.00 0.02 . 2 . . . . 11 ARG HG2 . 15486 1 136 . 1 1 11 11 ARG HG3 H 1 1.51 0.02 . 2 . . . . 11 ARG HG3 . 15486 1 137 . 1 1 11 11 ARG C C 13 176.16 0.2 . 1 . . . . 11 ARG C . 15486 1 138 . 1 1 11 11 ARG CA C 13 58.66 0.2 . 1 . . . . 11 ARG CA . 15486 1 139 . 1 1 11 11 ARG CB C 13 29.15 0.2 . 1 . . . . 11 ARG CB . 15486 1 140 . 1 1 11 11 ARG CD C 13 43.43 0.2 . 1 . . . . 11 ARG CD . 15486 1 141 . 1 1 11 11 ARG CG C 13 29.90 0.2 . 1 . . . . 11 ARG CG . 15486 1 142 . 1 1 11 11 ARG N N 15 122.33 0.2 . 1 . . . . 11 ARG N . 15486 1 143 . 1 1 12 12 LYS H H 1 7.34 0.02 . 1 . . . . 12 LYS H . 15486 1 144 . 1 1 12 12 LYS HA H 1 4.25 0.02 . 1 . . . . 12 LYS HA . 15486 1 145 . 1 1 12 12 LYS HB2 H 1 2.10 0.02 . 2 . . . . 12 LYS HB2 . 15486 1 146 . 1 1 12 12 LYS HB3 H 1 1.98 0.02 . 2 . . . . 12 LYS HB3 . 15486 1 147 . 1 1 12 12 LYS HD2 H 1 1.78 0.02 . 1 . . . . 12 LYS HD2 . 15486 1 148 . 1 1 12 12 LYS HD3 H 1 1.78 0.02 . 1 . . . . 12 LYS HD3 . 15486 1 149 . 1 1 12 12 LYS HE2 H 1 3.07 0.02 . 1 . . . . 12 LYS HE2 . 15486 1 150 . 1 1 12 12 LYS HE3 H 1 3.07 0.02 . 1 . . . . 12 LYS HE3 . 15486 1 151 . 1 1 12 12 LYS HG2 H 1 1.69 0.02 . 2 . . . . 12 LYS HG2 . 15486 1 152 . 1 1 12 12 LYS HG3 H 1 1.57 0.02 . 2 . . . . 12 LYS HG3 . 15486 1 153 . 1 1 12 12 LYS C C 13 177.77 0.2 . 1 . . . . 12 LYS C . 15486 1 154 . 1 1 12 12 LYS CA C 13 57.03 0.2 . 1 . . . . 12 LYS CA . 15486 1 155 . 1 1 12 12 LYS CB C 13 32.35 0.2 . 1 . . . . 12 LYS CB . 15486 1 156 . 1 1 12 12 LYS CD C 13 28.74 0.2 . 1 . . . . 12 LYS CD . 15486 1 157 . 1 1 12 12 LYS CE C 13 42.34 0.2 . 1 . . . . 12 LYS CE . 15486 1 158 . 1 1 12 12 LYS CG C 13 25.26 0.2 . 1 . . . . 12 LYS CG . 15486 1 159 . 1 1 12 12 LYS N N 15 114.58 0.2 . 1 . . . . 12 LYS N . 15486 1 160 . 1 1 13 13 CYS H H 1 7.84 0.02 . 1 . . . . 13 CYS H . 15486 1 161 . 1 1 13 13 CYS HA H 1 4.58 0.02 . 1 . . . . 13 CYS HA . 15486 1 162 . 1 1 13 13 CYS HB2 H 1 3.34 0.02 . 2 . . . . 13 CYS HB2 . 15486 1 163 . 1 1 13 13 CYS HB3 H 1 2.90 0.02 . 2 . . . . 13 CYS HB3 . 15486 1 164 . 1 1 13 13 CYS C C 13 174.75 0.2 . 1 . . . . 13 CYS C . 15486 1 165 . 1 1 13 13 CYS CA C 13 58.96 0.2 . 1 . . . . 13 CYS CA . 15486 1 166 . 1 1 13 13 CYS CB C 13 27.61 0.2 . 1 . . . . 13 CYS CB . 15486 1 167 . 1 1 13 13 CYS N N 15 117.45 0.2 . 1 . . . . 13 CYS N . 15486 1 168 . 1 1 14 14 THR HA H 1 4.27 0.02 . 1 . . . . 14 THR HA . 15486 1 169 . 1 1 14 14 THR HB H 1 4.56 0.02 . 1 . . . . 14 THR HB . 15486 1 170 . 1 1 14 14 THR HG21 H 1 1.21 0.02 . 1 . . . . 14 THR HG2 . 15486 1 171 . 1 1 14 14 THR HG22 H 1 1.21 0.02 . 1 . . . . 14 THR HG2 . 15486 1 172 . 1 1 14 14 THR HG23 H 1 1.21 0.02 . 1 . . . . 14 THR HG2 . 15486 1 173 . 1 1 14 14 THR C C 13 173.92 0.2 . 1 . . . . 14 THR C . 15486 1 174 . 1 1 14 14 THR CA C 13 62.44 0.2 . 1 . . . . 14 THR CA . 15486 1 175 . 1 1 14 14 THR CB C 13 69.21 0.2 . 1 . . . . 14 THR CB . 15486 1 176 . 1 1 14 14 THR CG2 C 13 21.81 0.2 . 1 . . . . 14 THR CG2 . 15486 1 177 . 1 1 14 14 THR N N 15 117.95 0.2 . 1 . . . . 14 THR N . 15486 1 178 . 1 1 15 15 THR H H 1 7.33 0.02 . 1 . . . . 15 THR H . 15486 1 179 . 1 1 15 15 THR HA H 1 4.89 0.02 . 1 . . . . 15 THR HA . 15486 1 180 . 1 1 15 15 THR HB H 1 4.66 0.02 . 1 . . . . 15 THR HB . 15486 1 181 . 1 1 15 15 THR HG21 H 1 1.30 0.02 . 1 . . . . 15 THR HG2 . 15486 1 182 . 1 1 15 15 THR HG22 H 1 1.30 0.02 . 1 . . . . 15 THR HG2 . 15486 1 183 . 1 1 15 15 THR HG23 H 1 1.30 0.02 . 1 . . . . 15 THR HG2 . 15486 1 184 . 1 1 15 15 THR C C 13 174.29 0.2 . 1 . . . . 15 THR C . 15486 1 185 . 1 1 15 15 THR CA C 13 59.00 0.2 . 1 . . . . 15 THR CA . 15486 1 186 . 1 1 15 15 THR CB C 13 73.01 0.2 . 1 . . . . 15 THR CB . 15486 1 187 . 1 1 15 15 THR CG2 C 13 22.12 0.2 . 1 . . . . 15 THR CG2 . 15486 1 188 . 1 1 15 15 THR N N 15 108.35 0.2 . 1 . . . . 15 THR N . 15486 1 189 . 1 1 16 16 ILE H H 1 9.26 0.02 . 1 . . . . 16 ILE H . 15486 1 190 . 1 1 16 16 ILE HA H 1 3.66 0.02 . 1 . . . . 16 ILE HA . 15486 1 191 . 1 1 16 16 ILE HB H 1 1.90 0.02 . 1 . . . . 16 ILE HB . 15486 1 192 . 1 1 16 16 ILE HD11 H 1 0.92 0.02 . 1 . . . . 16 ILE HD1 . 15486 1 193 . 1 1 16 16 ILE HD12 H 1 0.92 0.02 . 1 . . . . 16 ILE HD1 . 15486 1 194 . 1 1 16 16 ILE HD13 H 1 0.92 0.02 . 1 . . . . 16 ILE HD1 . 15486 1 195 . 1 1 16 16 ILE HG12 H 1 1.79 0.02 . 2 . . . . 16 ILE HG12 . 15486 1 196 . 1 1 16 16 ILE HG13 H 1 1.03 0.02 . 2 . . . . 16 ILE HG13 . 15486 1 197 . 1 1 16 16 ILE HG21 H 1 0.92 0.02 . 1 . . . . 16 ILE HG2 . 15486 1 198 . 1 1 16 16 ILE HG22 H 1 0.92 0.02 . 1 . . . . 16 ILE HG2 . 15486 1 199 . 1 1 16 16 ILE HG23 H 1 0.92 0.02 . 1 . . . . 16 ILE HG2 . 15486 1 200 . 1 1 16 16 ILE C C 13 177.09 0.2 . 1 . . . . 16 ILE C . 15486 1 201 . 1 1 16 16 ILE CA C 13 65.68 0.2 . 1 . . . . 16 ILE CA . 15486 1 202 . 1 1 16 16 ILE CB C 13 37.74 0.2 . 1 . . . . 16 ILE CB . 15486 1 203 . 1 1 16 16 ILE CD1 C 13 13.18 0.2 . 1 . . . . 16 ILE CD1 . 15486 1 204 . 1 1 16 16 ILE CG1 C 13 31.07 0.2 . 1 . . . . 16 ILE CG1 . 15486 1 205 . 1 1 16 16 ILE CG2 C 13 17.39 0.2 . 1 . . . . 16 ILE CG2 . 15486 1 206 . 1 1 16 16 ILE N N 15 123.61 0.2 . 1 . . . . 16 ILE N . 15486 1 207 . 1 1 17 17 ASP H H 1 8.56 0.02 . 1 . . . . 17 ASP H . 15486 1 208 . 1 1 17 17 ASP HA H 1 4.45 0.02 . 1 . . . . 17 ASP HA . 15486 1 209 . 1 1 17 17 ASP HB2 H 1 2.80 0.02 . 2 . . . . 17 ASP HB2 . 15486 1 210 . 1 1 17 17 ASP HB3 H 1 2.76 0.02 . 2 . . . . 17 ASP HB3 . 15486 1 211 . 1 1 17 17 ASP C C 13 178.95 0.2 . 1 . . . . 17 ASP C . 15486 1 212 . 1 1 17 17 ASP CA C 13 57.69 0.2 . 1 . . . . 17 ASP CA . 15486 1 213 . 1 1 17 17 ASP CB C 13 40.78 0.2 . 1 . . . . 17 ASP CB . 15486 1 214 . 1 1 17 17 ASP N N 15 117.81 0.2 . 1 . . . . 17 ASP N . 15486 1 215 . 1 1 18 18 THR H H 1 7.82 0.02 . 1 . . . . 18 THR H . 15486 1 216 . 1 1 18 18 THR HA H 1 4.06 0.02 . 1 . . . . 18 THR HA . 15486 1 217 . 1 1 18 18 THR HB H 1 4.30 0.02 . 1 . . . . 18 THR HB . 15486 1 218 . 1 1 18 18 THR HG21 H 1 1.44 0.02 . 1 . . . . 18 THR HG2 . 15486 1 219 . 1 1 18 18 THR HG22 H 1 1.44 0.02 . 1 . . . . 18 THR HG2 . 15486 1 220 . 1 1 18 18 THR HG23 H 1 1.44 0.02 . 1 . . . . 18 THR HG2 . 15486 1 221 . 1 1 18 18 THR C C 13 176.78 0.2 . 1 . . . . 18 THR C . 15486 1 222 . 1 1 18 18 THR CA C 13 66.16 0.2 . 1 . . . . 18 THR CA . 15486 1 223 . 1 1 18 18 THR CB C 13 69.01 0.2 . 1 . . . . 18 THR CB . 15486 1 224 . 1 1 18 18 THR CG2 C 13 22.12 0.2 . 1 . . . . 18 THR CG2 . 15486 1 225 . 1 1 18 18 THR N N 15 112.61 0.2 . 1 . . . . 18 THR N . 15486 1 226 . 1 1 19 19 LEU H H 1 7.95 0.02 . 1 . . . . 19 LEU H . 15486 1 227 . 1 1 19 19 LEU HA H 1 4.56 0.02 . 1 . . . . 19 LEU HA . 15486 1 228 . 1 1 19 19 LEU HB2 H 1 2.35 0.02 . 2 . . . . 19 LEU HB2 . 15486 1 229 . 1 1 19 19 LEU HB3 H 1 1.35 0.02 . 2 . . . . 19 LEU HB3 . 15486 1 230 . 1 1 19 19 LEU HD11 H 1 1.05 0.02 . 2 . . . . 19 LEU HD1 . 15486 1 231 . 1 1 19 19 LEU HD12 H 1 1.05 0.02 . 2 . . . . 19 LEU HD1 . 15486 1 232 . 1 1 19 19 LEU HD13 H 1 1.05 0.02 . 2 . . . . 19 LEU HD1 . 15486 1 233 . 1 1 19 19 LEU HD21 H 1 1.11 0.02 . 2 . . . . 19 LEU HD2 . 15486 1 234 . 1 1 19 19 LEU HD22 H 1 1.11 0.02 . 2 . . . . 19 LEU HD2 . 15486 1 235 . 1 1 19 19 LEU HD23 H 1 1.11 0.02 . 2 . . . . 19 LEU HD2 . 15486 1 236 . 1 1 19 19 LEU HG H 1 1.75 0.02 . 1 . . . . 19 LEU HG . 15486 1 237 . 1 1 19 19 LEU C C 13 178.30 0.2 . 1 . . . . 19 LEU C . 15486 1 238 . 1 1 19 19 LEU CA C 13 58.70 0.2 . 1 . . . . 19 LEU CA . 15486 1 239 . 1 1 19 19 LEU CB C 13 41.97 0.2 . 1 . . . . 19 LEU CB . 15486 1 240 . 1 1 19 19 LEU CD2 C 13 25.10 0.2 . 2 . . . . 19 LEU CD2 . 15486 1 241 . 1 1 19 19 LEU CG C 13 26.99 0.2 . 1 . . . . 19 LEU CG . 15486 1 242 . 1 1 19 19 LEU N N 15 123.07 0.2 . 1 . . . . 19 LEU N . 15486 1 243 . 1 1 20 20 GLU H H 1 8.93 0.02 . 1 . . . . 20 GLU H . 15486 1 244 . 1 1 20 20 GLU HA H 1 4.08 0.02 . 1 . . . . 20 GLU HA . 15486 1 245 . 1 1 20 20 GLU HB2 H 1 2.29 0.02 . 2 . . . . 20 GLU HB2 . 15486 1 246 . 1 1 20 20 GLU HB3 H 1 2.20 0.02 . 2 . . . . 20 GLU HB3 . 15486 1 247 . 1 1 20 20 GLU HG2 H 1 2.63 0.02 . 2 . . . . 20 GLU HG2 . 15486 1 248 . 1 1 20 20 GLU HG3 H 1 2.39 0.02 . 2 . . . . 20 GLU HG3 . 15486 1 249 . 1 1 20 20 GLU C C 13 179.62 0.2 . 1 . . . . 20 GLU C . 15486 1 250 . 1 1 20 20 GLU CA C 13 60.07 0.2 . 1 . . . . 20 GLU CA . 15486 1 251 . 1 1 20 20 GLU CB C 13 29.27 0.2 . 1 . . . . 20 GLU CB . 15486 1 252 . 1 1 20 20 GLU CG C 13 36.73 0.2 . 1 . . . . 20 GLU CG . 15486 1 253 . 1 1 20 20 GLU N N 15 116.62 0.2 . 1 . . . . 20 GLU N . 15486 1 254 . 1 1 21 21 ARG H H 1 7.72 0.02 . 1 . . . . 21 ARG H . 15486 1 255 . 1 1 21 21 ARG HA H 1 4.24 0.02 . 1 . . . . 21 ARG HA . 15486 1 256 . 1 1 21 21 ARG HB2 H 1 2.12 0.02 . 2 . . . . 21 ARG HB2 . 15486 1 257 . 1 1 21 21 ARG HB3 H 1 2.01 0.02 . 2 . . . . 21 ARG HB3 . 15486 1 258 . 1 1 21 21 ARG HD2 H 1 3.30 0.02 . 2 . . . . 21 ARG HD2 . 15486 1 259 . 1 1 21 21 ARG HD3 H 1 3.24 0.02 . 2 . . . . 21 ARG HD3 . 15486 1 260 . 1 1 21 21 ARG HG2 H 1 1.95 0.02 . 2 . . . . 21 ARG HG2 . 15486 1 261 . 1 1 21 21 ARG HG3 H 1 1.82 0.02 . 2 . . . . 21 ARG HG3 . 15486 1 262 . 1 1 21 21 ARG C C 13 179.49 0.2 . 1 . . . . 21 ARG C . 15486 1 263 . 1 1 21 21 ARG CA C 13 59.59 0.2 . 1 . . . . 21 ARG CA . 15486 1 264 . 1 1 21 21 ARG CB C 13 30.09 0.2 . 1 . . . . 21 ARG CB . 15486 1 265 . 1 1 21 21 ARG CD C 13 43.51 0.2 . 1 . . . . 21 ARG CD . 15486 1 266 . 1 1 21 21 ARG CG C 13 27.49 0.2 . 1 . . . . 21 ARG CG . 15486 1 267 . 1 1 21 21 ARG N N 15 118.74 0.2 . 1 . . . . 21 ARG N . 15486 1 268 . 1 1 22 22 VAL H H 1 8.17 0.02 . 1 . . . . 22 VAL H . 15486 1 269 . 1 1 22 22 VAL HA H 1 3.77 0.02 . 1 . . . . 22 VAL HA . 15486 1 270 . 1 1 22 22 VAL HB H 1 2.42 0.02 . 1 . . . . 22 VAL HB . 15486 1 271 . 1 1 22 22 VAL HG11 H 1 1.03 0.02 . 2 . . . . 22 VAL HG1 . 15486 1 272 . 1 1 22 22 VAL HG12 H 1 1.03 0.02 . 2 . . . . 22 VAL HG1 . 15486 1 273 . 1 1 22 22 VAL HG13 H 1 1.03 0.02 . 2 . . . . 22 VAL HG1 . 15486 1 274 . 1 1 22 22 VAL HG21 H 1 1.13 0.02 . 2 . . . . 22 VAL HG2 . 15486 1 275 . 1 1 22 22 VAL HG22 H 1 1.13 0.02 . 2 . . . . 22 VAL HG2 . 15486 1 276 . 1 1 22 22 VAL HG23 H 1 1.13 0.02 . 2 . . . . 22 VAL HG2 . 15486 1 277 . 1 1 22 22 VAL C C 13 179.53 0.2 . 1 . . . . 22 VAL C . 15486 1 278 . 1 1 22 22 VAL CA C 13 66.82 0.2 . 1 . . . . 22 VAL CA . 15486 1 279 . 1 1 22 22 VAL CB C 13 31.78 0.2 . 1 . . . . 22 VAL CB . 15486 1 280 . 1 1 22 22 VAL CG1 C 13 21.96 0.2 . 2 . . . . 22 VAL CG1 . 15486 1 281 . 1 1 22 22 VAL CG2 C 13 24.19 0.2 . 2 . . . . 22 VAL CG2 . 15486 1 282 . 1 1 22 22 VAL N N 15 121.75 0.2 . 1 . . . . 22 VAL N . 15486 1 283 . 1 1 23 23 ILE H H 1 8.86 0.02 . 1 . . . . 23 ILE H . 15486 1 284 . 1 1 23 23 ILE HA H 1 3.86 0.02 . 1 . . . . 23 ILE HA . 15486 1 285 . 1 1 23 23 ILE HB H 1 2.13 0.02 . 1 . . . . 23 ILE HB . 15486 1 286 . 1 1 23 23 ILE HD11 H 1 0.84 0.02 . 1 . . . . 23 ILE HD1 . 15486 1 287 . 1 1 23 23 ILE HD12 H 1 0.84 0.02 . 1 . . . . 23 ILE HD1 . 15486 1 288 . 1 1 23 23 ILE HD13 H 1 0.84 0.02 . 1 . . . . 23 ILE HD1 . 15486 1 289 . 1 1 23 23 ILE HG12 H 1 2.02 0.02 . 2 . . . . 23 ILE HG12 . 15486 1 290 . 1 1 23 23 ILE HG13 H 1 0.91 0.02 . 2 . . . . 23 ILE HG13 . 15486 1 291 . 1 1 23 23 ILE HG21 H 1 1.06 0.02 . 1 . . . . 23 ILE HG2 . 15486 1 292 . 1 1 23 23 ILE HG22 H 1 1.06 0.02 . 1 . . . . 23 ILE HG2 . 15486 1 293 . 1 1 23 23 ILE HG23 H 1 1.06 0.02 . 1 . . . . 23 ILE HG2 . 15486 1 294 . 1 1 23 23 ILE C C 13 177.19 0.2 . 1 . . . . 23 ILE C . 15486 1 295 . 1 1 23 23 ILE CA C 13 66.51 0.2 . 1 . . . . 23 ILE CA . 15486 1 296 . 1 1 23 23 ILE CB C 13 38.16 0.2 . 1 . . . . 23 ILE CB . 15486 1 297 . 1 1 23 23 ILE CD1 C 13 15.26 0.2 . 1 . . . . 23 ILE CD1 . 15486 1 298 . 1 1 23 23 ILE CG1 C 13 28.84 0.2 . 1 . . . . 23 ILE CG1 . 15486 1 299 . 1 1 23 23 ILE CG2 C 13 17.49 0.2 . 1 . . . . 23 ILE CG2 . 15486 1 300 . 1 1 23 23 ILE N N 15 122.83 0.2 . 1 . . . . 23 ILE N . 15486 1 301 . 1 1 24 24 GLU H H 1 7.92 0.02 . 1 . . . . 24 GLU H . 15486 1 302 . 1 1 24 24 GLU HA H 1 3.99 0.02 . 1 . . . . 24 GLU HA . 15486 1 303 . 1 1 24 24 GLU HB2 H 1 2.20 0.02 . 1 . . . . 24 GLU HB2 . 15486 1 304 . 1 1 24 24 GLU HB3 H 1 2.20 0.02 . 1 . . . . 24 GLU HB3 . 15486 1 305 . 1 1 24 24 GLU HG2 H 1 2.47 0.02 . 2 . . . . 24 GLU HG2 . 15486 1 306 . 1 1 24 24 GLU HG3 H 1 2.51 0.02 . 2 . . . . 24 GLU HG3 . 15486 1 307 . 1 1 24 24 GLU C C 13 177.81 0.2 . 1 . . . . 24 GLU C . 15486 1 308 . 1 1 24 24 GLU CA C 13 59.25 0.2 . 1 . . . . 24 GLU CA . 15486 1 309 . 1 1 24 24 GLU CB C 13 29.45 0.2 . 1 . . . . 24 GLU CB . 15486 1 310 . 1 1 24 24 GLU CG C 13 36.11 0.2 . 1 . . . . 24 GLU CG . 15486 1 311 . 1 1 24 24 GLU N N 15 117.34 0.2 . 1 . . . . 24 GLU N . 15486 1 312 . 1 1 25 25 LYS H H 1 7.59 0.02 . 1 . . . . 25 LYS H . 15486 1 313 . 1 1 25 25 LYS HA H 1 4.24 0.02 . 1 . . . . 25 LYS HA . 15486 1 314 . 1 1 25 25 LYS HB2 H 1 1.97 0.02 . 2 . . . . 25 LYS HB2 . 15486 1 315 . 1 1 25 25 LYS HB3 H 1 1.94 0.02 . 2 . . . . 25 LYS HB3 . 15486 1 316 . 1 1 25 25 LYS HD2 H 1 1.71 0.02 . 2 . . . . 25 LYS HD2 . 15486 1 317 . 1 1 25 25 LYS HD3 H 1 1.67 0.02 . 2 . . . . 25 LYS HD3 . 15486 1 318 . 1 1 25 25 LYS HE2 H 1 3.02 0.02 . 2 . . . . 25 LYS HE2 . 15486 1 319 . 1 1 25 25 LYS HE3 H 1 3.02 0.02 . 2 . . . . 25 LYS HE3 . 15486 1 320 . 1 1 25 25 LYS HG2 H 1 1.53 0.02 . 2 . . . . 25 LYS HG2 . 15486 1 321 . 1 1 25 25 LYS HG3 H 1 1.42 0.02 . 2 . . . . 25 LYS HG3 . 15486 1 322 . 1 1 25 25 LYS C C 13 178.93 0.2 . 1 . . . . 25 LYS C . 15486 1 323 . 1 1 25 25 LYS CA C 13 58.60 0.2 . 1 . . . . 25 LYS CA . 15486 1 324 . 1 1 25 25 LYS CB C 13 33.03 0.2 . 1 . . . . 25 LYS CB . 15486 1 325 . 1 1 25 25 LYS CD C 13 29.25 0.2 . 1 . . . . 25 LYS CD . 15486 1 326 . 1 1 25 25 LYS CE C 13 42.31 0.2 . 1 . . . . 25 LYS CE . 15486 1 327 . 1 1 25 25 LYS CG C 13 24.65 0.2 . 1 . . . . 25 LYS CG . 15486 1 328 . 1 1 25 25 LYS N N 15 115.47 0.2 . 1 . . . . 25 LYS N . 15486 1 329 . 1 1 26 26 ASN H H 1 7.94 0.02 . 1 . . . . 26 ASN H . 15486 1 330 . 1 1 26 26 ASN HA H 1 4.20 0.02 . 1 . . . . 26 ASN HA . 15486 1 331 . 1 1 26 26 ASN HB2 H 1 2.05 0.02 . 2 . . . . 26 ASN HB2 . 15486 1 332 . 1 1 26 26 ASN HB3 H 1 1.52 0.02 . 2 . . . . 26 ASN HB3 . 15486 1 333 . 1 1 26 26 ASN C C 13 176.98 0.2 . 1 . . . . 26 ASN C . 15486 1 334 . 1 1 26 26 ASN CA C 13 56.12 0.2 . 1 . . . . 26 ASN CA . 15486 1 335 . 1 1 26 26 ASN CB C 13 39.48 0.2 . 1 . . . . 26 ASN CB . 15486 1 336 . 1 1 26 26 ASN N N 15 115.88 0.2 . 1 . . . . 26 ASN N . 15486 1 337 . 1 1 27 27 LYS H H 1 8.17 0.02 . 1 . . . . 27 LYS H . 15486 1 338 . 1 1 27 27 LYS HA H 1 3.75 0.02 . 1 . . . . 27 LYS HA . 15486 1 339 . 1 1 27 27 LYS HB2 H 1 1.78 0.02 . 2 . . . . 27 LYS HB2 . 15486 1 340 . 1 1 27 27 LYS HB3 H 1 1.62 0.02 . 2 . . . . 27 LYS HB3 . 15486 1 341 . 1 1 27 27 LYS HD2 H 1 1.56 0.02 . 1 . . . . 27 LYS HD2 . 15486 1 342 . 1 1 27 27 LYS HD3 H 1 1.56 0.02 . 1 . . . . 27 LYS HD3 . 15486 1 343 . 1 1 27 27 LYS HE2 H 1 2.86 0.02 . 2 . . . . 27 LYS HE2 . 15486 1 344 . 1 1 27 27 LYS HE3 H 1 2.80 0.02 . 2 . . . . 27 LYS HE3 . 15486 1 345 . 1 1 27 27 LYS HG2 H 1 1.18 0.02 . 2 . . . . 27 LYS HG2 . 15486 1 346 . 1 1 27 27 LYS HG3 H 1 0.79 0.02 . 2 . . . . 27 LYS HG3 . 15486 1 347 . 1 1 27 27 LYS C C 13 176.52 0.2 . 1 . . . . 27 LYS C . 15486 1 348 . 1 1 27 27 LYS CA C 13 59.26 0.2 . 1 . . . . 27 LYS CA . 15486 1 349 . 1 1 27 27 LYS CB C 13 31.74 0.2 . 1 . . . . 27 LYS CB . 15486 1 350 . 1 1 27 27 LYS CD C 13 29.83 0.2 . 1 . . . . 27 LYS CD . 15486 1 351 . 1 1 27 27 LYS CE C 13 42.23 0.2 . 1 . . . . 27 LYS CE . 15486 1 352 . 1 1 27 27 LYS CG C 13 23.87 0.2 . 1 . . . . 27 LYS CG . 15486 1 353 . 1 1 27 27 LYS N N 15 118.41 0.2 . 1 . . . . 27 LYS N . 15486 1 354 . 1 1 28 28 TYR H H 1 7.07 0.02 . 1 . . . . 28 TYR H . 15486 1 355 . 1 1 28 28 TYR HA H 1 4.60 0.02 . 1 . . . . 28 TYR HA . 15486 1 356 . 1 1 28 28 TYR HB2 H 1 3.36 0.02 . 2 . . . . 28 TYR HB2 . 15486 1 357 . 1 1 28 28 TYR HB3 H 1 2.85 0.02 . 2 . . . . 28 TYR HB3 . 15486 1 358 . 1 1 28 28 TYR HD1 H 1 7.31 0.02 . 1 . . . . 28 TYR HD1 . 15486 1 359 . 1 1 28 28 TYR HD2 H 1 7.31 0.02 . 1 . . . . 28 TYR HD2 . 15486 1 360 . 1 1 28 28 TYR HE1 H 1 6.94 0.02 . 1 . . . . 28 TYR HE1 . 15486 1 361 . 1 1 28 28 TYR HE2 H 1 6.94 0.02 . 1 . . . . 28 TYR HE2 . 15486 1 362 . 1 1 28 28 TYR C C 13 176.19 0.2 . 1 . . . . 28 TYR C . 15486 1 363 . 1 1 28 28 TYR CA C 13 58.49 0.2 . 1 . . . . 28 TYR CA . 15486 1 364 . 1 1 28 28 TYR CB C 13 38.60 0.2 . 1 . . . . 28 TYR CB . 15486 1 365 . 1 1 28 28 TYR CD1 C 13 133.46 0.2 . 1 . . . . 28 TYR CD1 . 15486 1 366 . 1 1 28 28 TYR CD2 C 13 133.46 0.2 . 1 . . . . 28 TYR CD2 . 15486 1 367 . 1 1 28 28 TYR CE1 C 13 118.42 0.2 . 1 . . . . 28 TYR CE1 . 15486 1 368 . 1 1 28 28 TYR CE2 C 13 118.42 0.2 . 1 . . . . 28 TYR CE2 . 15486 1 369 . 1 1 28 28 TYR N N 15 113.92 0.2 . 1 . . . . 28 TYR N . 15486 1 370 . 1 1 29 29 GLU H H 1 7.51 0.02 . 1 . . . . 29 GLU H . 15486 1 371 . 1 1 29 29 GLU HA H 1 4.42 0.02 . 1 . . . . 29 GLU HA . 15486 1 372 . 1 1 29 29 GLU HB2 H 1 2.12 0.02 . 2 . . . . 29 GLU HB2 . 15486 1 373 . 1 1 29 29 GLU HB3 H 1 1.84 0.02 . 2 . . . . 29 GLU HB3 . 15486 1 374 . 1 1 29 29 GLU HG2 H 1 2.36 0.02 . 2 . . . . 29 GLU HG2 . 15486 1 375 . 1 1 29 29 GLU HG3 H 1 2.20 0.02 . 2 . . . . 29 GLU HG3 . 15486 1 376 . 1 1 29 29 GLU C C 13 176.24 0.2 . 1 . . . . 29 GLU C . 15486 1 377 . 1 1 29 29 GLU CA C 13 56.68 0.2 . 1 . . . . 29 GLU CA . 15486 1 378 . 1 1 29 29 GLU CB C 13 31.91 0.2 . 1 . . . . 29 GLU CB . 15486 1 379 . 1 1 29 29 GLU CG C 13 36.16 0.2 . 1 . . . . 29 GLU CG . 15486 1 380 . 1 1 29 29 GLU N N 15 116.76 0.2 . 1 . . . . 29 GLU N . 15486 1 381 . 1 1 30 30 LEU H H 1 7.26 0.02 . 1 . . . . 30 LEU H . 15486 1 382 . 1 1 30 30 LEU HA H 1 4.57 0.02 . 1 . . . . 30 LEU HA . 15486 1 383 . 1 1 30 30 LEU HB2 H 1 1.44 0.02 . 2 . . . . 30 LEU HB2 . 15486 1 384 . 1 1 30 30 LEU HB3 H 1 1.25 0.02 . 2 . . . . 30 LEU HB3 . 15486 1 385 . 1 1 30 30 LEU HD11 H 1 0.77 0.02 . 1 . . . . 30 LEU HD1 . 15486 1 386 . 1 1 30 30 LEU HD12 H 1 0.77 0.02 . 1 . . . . 30 LEU HD1 . 15486 1 387 . 1 1 30 30 LEU HD13 H 1 0.77 0.02 . 1 . . . . 30 LEU HD1 . 15486 1 388 . 1 1 30 30 LEU HD21 H 1 0.18 0.02 . 1 . . . . 30 LEU HD2 . 15486 1 389 . 1 1 30 30 LEU HD22 H 1 0.18 0.02 . 1 . . . . 30 LEU HD2 . 15486 1 390 . 1 1 30 30 LEU HD23 H 1 0.18 0.02 . 1 . . . . 30 LEU HD2 . 15486 1 391 . 1 1 30 30 LEU HG H 1 1.57 0.02 . 1 . . . . 30 LEU HG . 15486 1 392 . 1 1 30 30 LEU C C 13 176.47 0.2 . 1 . . . . 30 LEU C . 15486 1 393 . 1 1 30 30 LEU CA C 13 53.86 0.2 . 1 . . . . 30 LEU CA . 15486 1 394 . 1 1 30 30 LEU CB C 13 44.08 0.2 . 1 . . . . 30 LEU CB . 15486 1 395 . 1 1 30 30 LEU CD1 C 13 22.42 0.2 . 2 . . . . 30 LEU CD1 . 15486 1 396 . 1 1 30 30 LEU CD2 C 13 25.99 0.2 . 2 . . . . 30 LEU CD2 . 15486 1 397 . 1 1 30 30 LEU CG C 13 26.31 0.2 . 1 . . . . 30 LEU CG . 15486 1 398 . 1 1 30 30 LEU N N 15 118.38 0.2 . 1 . . . . 30 LEU N . 15486 1 399 . 1 1 31 31 SER H H 1 8.49 0.02 . 1 . . . . 31 SER H . 15486 1 400 . 1 1 31 31 SER HA H 1 4.50 0.02 . 1 . . . . 31 SER HA . 15486 1 401 . 1 1 31 31 SER HB2 H 1 4.21 0.02 . 2 . . . . 31 SER HB2 . 15486 1 402 . 1 1 31 31 SER HB3 H 1 3.99 0.02 . 2 . . . . 31 SER HB3 . 15486 1 403 . 1 1 31 31 SER C C 13 174.50 0.2 . 1 . . . . 31 SER C . 15486 1 404 . 1 1 31 31 SER CA C 13 57.40 0.2 . 1 . . . . 31 SER CA . 15486 1 405 . 1 1 31 31 SER CB C 13 64.89 0.2 . 1 . . . . 31 SER CB . 15486 1 406 . 1 1 31 31 SER N N 15 115.16 0.2 . 1 . . . . 31 SER N . 15486 1 407 . 1 1 32 32 ASP H H 1 8.91 0.02 . 1 . . . . 32 ASP H . 15486 1 408 . 1 1 32 32 ASP HA H 1 4.32 0.02 . 1 . . . . 32 ASP HA . 15486 1 409 . 1 1 32 32 ASP HB2 H 1 2.80 0.02 . 2 . . . . 32 ASP HB2 . 15486 1 410 . 1 1 32 32 ASP HB3 H 1 2.73 0.02 . 2 . . . . 32 ASP HB3 . 15486 1 411 . 1 1 32 32 ASP C C 13 178.10 0.2 . 1 . . . . 32 ASP C . 15486 1 412 . 1 1 32 32 ASP CA C 13 58.02 0.2 . 1 . . . . 32 ASP CA . 15486 1 413 . 1 1 32 32 ASP CB C 13 40.47 0.2 . 1 . . . . 32 ASP CB . 15486 1 414 . 1 1 32 32 ASP N N 15 120.17 0.2 . 1 . . . . 32 ASP N . 15486 1 415 . 1 1 33 33 ASP H H 1 8.68 0.02 . 1 . . . . 33 ASP H . 15486 1 416 . 1 1 33 33 ASP HA H 1 4.45 0.02 . 1 . . . . 33 ASP HA . 15486 1 417 . 1 1 33 33 ASP HB2 H 1 2.78 0.02 . 2 . . . . 33 ASP HB2 . 15486 1 418 . 1 1 33 33 ASP HB3 H 1 2.66 0.02 . 2 . . . . 33 ASP HB3 . 15486 1 419 . 1 1 33 33 ASP C C 13 178.85 0.2 . 1 . . . . 33 ASP C . 15486 1 420 . 1 1 33 33 ASP CA C 13 56.96 0.2 . 1 . . . . 33 ASP CA . 15486 1 421 . 1 1 33 33 ASP CB C 13 40.13 0.2 . 1 . . . . 33 ASP CB . 15486 1 422 . 1 1 33 33 ASP N N 15 117.81 0.2 . 1 . . . . 33 ASP N . 15486 1 423 . 1 1 34 34 GLU H H 1 7.63 0.02 . 1 . . . . 34 GLU H . 15486 1 424 . 1 1 34 34 GLU HA H 1 4.17 0.02 . 1 . . . . 34 GLU HA . 15486 1 425 . 1 1 34 34 GLU HB2 H 1 2.37 0.02 . 2 . . . . 34 GLU HB2 . 15486 1 426 . 1 1 34 34 GLU HB3 H 1 2.15 0.02 . 2 . . . . 34 GLU HB3 . 15486 1 427 . 1 1 34 34 GLU HG2 H 1 2.55 0.02 . 2 . . . . 34 GLU HG2 . 15486 1 428 . 1 1 34 34 GLU HG3 H 1 2.36 0.02 . 2 . . . . 34 GLU HG3 . 15486 1 429 . 1 1 34 34 GLU C C 13 178.32 0.2 . 1 . . . . 34 GLU C . 15486 1 430 . 1 1 34 34 GLU CA C 13 58.57 0.2 . 1 . . . . 34 GLU CA . 15486 1 431 . 1 1 34 34 GLU CB C 13 30.08 0.2 . 1 . . . . 34 GLU CB . 15486 1 432 . 1 1 34 34 GLU CG C 13 36.43 0.2 . 1 . . . . 34 GLU CG . 15486 1 433 . 1 1 34 34 GLU N N 15 119.58 0.2 . 1 . . . . 34 GLU N . 15486 1 434 . 1 1 35 35 LEU H H 1 8.39 0.02 . 1 . . . . 35 LEU H . 15486 1 435 . 1 1 35 35 LEU HA H 1 3.72 0.02 . 1 . . . . 35 LEU HA . 15486 1 436 . 1 1 35 35 LEU HB2 H 1 1.53 0.02 . 2 . . . . 35 LEU HB2 . 15486 1 437 . 1 1 35 35 LEU HB3 H 1 1.42 0.02 . 2 . . . . 35 LEU HB3 . 15486 1 438 . 1 1 35 35 LEU HD11 H 1 0.74 0.02 . 1 . . . . 35 LEU HD1 . 15486 1 439 . 1 1 35 35 LEU HD12 H 1 0.74 0.02 . 1 . . . . 35 LEU HD1 . 15486 1 440 . 1 1 35 35 LEU HD13 H 1 0.74 0.02 . 1 . . . . 35 LEU HD1 . 15486 1 441 . 1 1 35 35 LEU HD21 H 1 0.57 0.02 . 1 . . . . 35 LEU HD2 . 15486 1 442 . 1 1 35 35 LEU HD22 H 1 0.57 0.02 . 1 . . . . 35 LEU HD2 . 15486 1 443 . 1 1 35 35 LEU HD23 H 1 0.57 0.02 . 1 . . . . 35 LEU HD2 . 15486 1 444 . 1 1 35 35 LEU HG H 1 1.33 0.02 . 1 . . . . 35 LEU HG . 15486 1 445 . 1 1 35 35 LEU C C 13 177.84 0.2 . 1 . . . . 35 LEU C . 15486 1 446 . 1 1 35 35 LEU CA C 13 57.47 0.2 . 1 . . . . 35 LEU CA . 15486 1 447 . 1 1 35 35 LEU CB C 13 41.03 0.2 . 1 . . . . 35 LEU CB . 15486 1 448 . 1 1 35 35 LEU CD1 C 13 24.66 0.2 . 2 . . . . 35 LEU CD1 . 15486 1 449 . 1 1 35 35 LEU CD2 C 13 23.81 0.2 . 2 . . . . 35 LEU CD2 . 15486 1 450 . 1 1 35 35 LEU CG C 13 26.57 0.2 . 1 . . . . 35 LEU CG . 15486 1 451 . 1 1 35 35 LEU N N 15 119.75 0.2 . 1 . . . . 35 LEU N . 15486 1 452 . 1 1 36 36 GLU H H 1 7.58 0.02 . 1 . . . . 36 GLU H . 15486 1 453 . 1 1 36 36 GLU HA H 1 4.17 0.02 . 1 . . . . 36 GLU HA . 15486 1 454 . 1 1 36 36 GLU HB2 H 1 2.20 0.02 . 1 . . . . 36 GLU HB2 . 15486 1 455 . 1 1 36 36 GLU HB3 H 1 2.20 0.02 . 1 . . . . 36 GLU HB3 . 15486 1 456 . 1 1 36 36 GLU HG2 H 1 2.51 0.02 . 2 . . . . 36 GLU HG2 . 15486 1 457 . 1 1 36 36 GLU HG3 H 1 2.42 0.02 . 2 . . . . 36 GLU HG3 . 15486 1 458 . 1 1 36 36 GLU C C 13 179.72 0.2 . 1 . . . . 36 GLU C . 15486 1 459 . 1 1 36 36 GLU CA C 13 59.87 0.2 . 1 . . . . 36 GLU CA . 15486 1 460 . 1 1 36 36 GLU CB C 13 29.68 0.2 . 1 . . . . 36 GLU CB . 15486 1 461 . 1 1 36 36 GLU CG C 13 35.99 0.2 . 1 . . . . 36 GLU CG . 15486 1 462 . 1 1 36 36 GLU N N 15 116.10 0.2 . 1 . . . . 36 GLU N . 15486 1 463 . 1 1 37 37 LEU H H 1 7.33 0.02 . 1 . . . . 37 LEU H . 15486 1 464 . 1 1 37 37 LEU HA H 1 4.21 0.02 . 1 . . . . 37 LEU HA . 15486 1 465 . 1 1 37 37 LEU HB2 H 1 2.27 0.02 . 2 . . . . 37 LEU HB2 . 15486 1 466 . 1 1 37 37 LEU HB3 H 1 1.47 0.02 . 2 . . . . 37 LEU HB3 . 15486 1 467 . 1 1 37 37 LEU HD11 H 1 1.05 0.02 . 1 . . . . 37 LEU HD1 . 15486 1 468 . 1 1 37 37 LEU HD12 H 1 1.05 0.02 . 1 . . . . 37 LEU HD1 . 15486 1 469 . 1 1 37 37 LEU HD13 H 1 1.05 0.02 . 1 . . . . 37 LEU HD1 . 15486 1 470 . 1 1 37 37 LEU HD21 H 1 1.06 0.02 . 1 . . . . 37 LEU HD2 . 15486 1 471 . 1 1 37 37 LEU HD22 H 1 1.06 0.02 . 1 . . . . 37 LEU HD2 . 15486 1 472 . 1 1 37 37 LEU HD23 H 1 1.06 0.02 . 1 . . . . 37 LEU HD2 . 15486 1 473 . 1 1 37 37 LEU HG H 1 1.95 0.02 . 1 . . . . 37 LEU HG . 15486 1 474 . 1 1 37 37 LEU C C 13 179.20 0.2 . 1 . . . . 37 LEU C . 15486 1 475 . 1 1 37 37 LEU CA C 13 57.44 0.2 . 1 . . . . 37 LEU CA . 15486 1 476 . 1 1 37 37 LEU CB C 13 42.45 0.2 . 1 . . . . 37 LEU CB . 15486 1 477 . 1 1 37 37 LEU CD1 C 13 23.41 0.2 . 2 . . . . 37 LEU CD1 . 15486 1 478 . 1 1 37 37 LEU CD2 C 13 25.97 0.2 . 2 . . . . 37 LEU CD2 . 15486 1 479 . 1 1 37 37 LEU CG C 13 26.57 0.2 . 1 . . . . 37 LEU CG . 15486 1 480 . 1 1 37 37 LEU N N 15 119.12 0.2 . 1 . . . . 37 LEU N . 15486 1 481 . 1 1 38 38 PHE H H 1 8.54 0.02 . 1 . . . . 38 PHE H . 15486 1 482 . 1 1 38 38 PHE HA H 1 3.40 0.02 . 1 . . . . 38 PHE HA . 15486 1 483 . 1 1 38 38 PHE HB2 H 1 2.63 0.02 . 2 . . . . 38 PHE HB2 . 15486 1 484 . 1 1 38 38 PHE HB3 H 1 1.91 0.02 . 2 . . . . 38 PHE HB3 . 15486 1 485 . 1 1 38 38 PHE HD1 H 1 6.45 0.02 . 1 . . . . 38 PHE HD1 . 15486 1 486 . 1 1 38 38 PHE HD2 H 1 6.45 0.02 . 1 . . . . 38 PHE HD2 . 15486 1 487 . 1 1 38 38 PHE HE1 H 1 7.06 0.02 . 1 . . . . 38 PHE HE1 . 15486 1 488 . 1 1 38 38 PHE HE2 H 1 7.06 0.02 . 1 . . . . 38 PHE HE2 . 15486 1 489 . 1 1 38 38 PHE HZ H 1 6.92 0.02 . 1 . . . . 38 PHE HZ . 15486 1 490 . 1 1 38 38 PHE C C 13 177.40 0.2 . 1 . . . . 38 PHE C . 15486 1 491 . 1 1 38 38 PHE CA C 13 62.01 0.2 . 1 . . . . 38 PHE CA . 15486 1 492 . 1 1 38 38 PHE CB C 13 38.98 0.2 . 1 . . . . 38 PHE CB . 15486 1 493 . 1 1 38 38 PHE CD1 C 13 131.85 0.2 . 1 . . . . 38 PHE CD1 . 15486 1 494 . 1 1 38 38 PHE CD2 C 13 131.85 0.2 . 1 . . . . 38 PHE CD2 . 15486 1 495 . 1 1 38 38 PHE CE1 C 13 130.39 0.2 . 1 . . . . 38 PHE CE1 . 15486 1 496 . 1 1 38 38 PHE CE2 C 13 130.39 0.2 . 1 . . . . 38 PHE CE2 . 15486 1 497 . 1 1 38 38 PHE CZ C 13 128.39 0.2 . 1 . . . . 38 PHE CZ . 15486 1 498 . 1 1 38 38 PHE N N 15 121.95 0.2 . 1 . . . . 38 PHE N . 15486 1 499 . 1 1 39 39 TYR H H 1 9.25 0.02 . 1 . . . . 39 TYR H . 15486 1 500 . 1 1 39 39 TYR HA H 1 4.16 0.02 . 1 . . . . 39 TYR HA . 15486 1 501 . 1 1 39 39 TYR HB2 H 1 2.88 0.02 . 2 . . . . 39 TYR HB2 . 15486 1 502 . 1 1 39 39 TYR HB3 H 1 2.69 0.02 . 2 . . . . 39 TYR HB3 . 15486 1 503 . 1 1 39 39 TYR HD1 H 1 6.81 0.02 . 1 . . . . 39 TYR HD1 . 15486 1 504 . 1 1 39 39 TYR HD2 H 1 6.81 0.02 . 1 . . . . 39 TYR HD2 . 15486 1 505 . 1 1 39 39 TYR HE1 H 1 6.64 0.02 . 1 . . . . 39 TYR HE1 . 15486 1 506 . 1 1 39 39 TYR HE2 H 1 6.64 0.02 . 1 . . . . 39 TYR HE2 . 15486 1 507 . 1 1 39 39 TYR C C 13 178.57 0.2 . 1 . . . . 39 TYR C . 15486 1 508 . 1 1 39 39 TYR CA C 13 59.52 0.2 . 1 . . . . 39 TYR CA . 15486 1 509 . 1 1 39 39 TYR CB C 13 36.76 0.2 . 1 . . . . 39 TYR CB . 15486 1 510 . 1 1 39 39 TYR CD1 C 13 131.23 0.2 . 1 . . . . 39 TYR CD1 . 15486 1 511 . 1 1 39 39 TYR CD2 C 13 131.23 0.2 . 1 . . . . 39 TYR CD2 . 15486 1 512 . 1 1 39 39 TYR CE1 C 13 116.88 0.2 . 1 . . . . 39 TYR CE1 . 15486 1 513 . 1 1 39 39 TYR CE2 C 13 116.88 0.2 . 1 . . . . 39 TYR CE2 . 15486 1 514 . 1 1 39 39 TYR N N 15 118.03 0.2 . 1 . . . . 39 TYR N . 15486 1 515 . 1 1 40 40 SER H H 1 7.80 0.02 . 1 . . . . 40 SER H . 15486 1 516 . 1 1 40 40 SER HA H 1 4.51 0.02 . 1 . . . . 40 SER HA . 15486 1 517 . 1 1 40 40 SER HB2 H 1 4.19 0.02 . 2 . . . . 40 SER HB2 . 15486 1 518 . 1 1 40 40 SER HB3 H 1 4.16 0.02 . 2 . . . . 40 SER HB3 . 15486 1 519 . 1 1 40 40 SER C C 13 177.96 0.2 . 1 . . . . 40 SER C . 15486 1 520 . 1 1 40 40 SER CA C 13 61.97 0.2 . 1 . . . . 40 SER CA . 15486 1 521 . 1 1 40 40 SER CB C 13 62.97 0.2 . 1 . . . . 40 SER CB . 15486 1 522 . 1 1 40 40 SER N N 15 114.54 0.2 . 1 . . . . 40 SER N . 15486 1 523 . 1 1 41 41 ALA H H 1 7.87 0.02 . 1 . . . . 41 ALA H . 15486 1 524 . 1 1 41 41 ALA HA H 1 4.08 0.02 . 1 . . . . 41 ALA HA . 15486 1 525 . 1 1 41 41 ALA HB1 H 1 1.47 0.02 . 1 . . . . 41 ALA HB . 15486 1 526 . 1 1 41 41 ALA HB2 H 1 1.47 0.02 . 1 . . . . 41 ALA HB . 15486 1 527 . 1 1 41 41 ALA HB3 H 1 1.47 0.02 . 1 . . . . 41 ALA HB . 15486 1 528 . 1 1 41 41 ALA C C 13 178.11 0.2 . 1 . . . . 41 ALA C . 15486 1 529 . 1 1 41 41 ALA CA C 13 54.97 0.2 . 1 . . . . 41 ALA CA . 15486 1 530 . 1 1 41 41 ALA CB C 13 19.25 0.2 . 1 . . . . 41 ALA CB . 15486 1 531 . 1 1 41 41 ALA N N 15 124.94 0.2 . 1 . . . . 41 ALA N . 15486 1 532 . 1 1 42 42 ALA H H 1 8.92 0.02 . 1 . . . . 42 ALA H . 15486 1 533 . 1 1 42 42 ALA HA H 1 3.79 0.02 . 1 . . . . 42 ALA HA . 15486 1 534 . 1 1 42 42 ALA HB1 H 1 1.12 0.02 . 1 . . . . 42 ALA HB . 15486 1 535 . 1 1 42 42 ALA HB2 H 1 1.12 0.02 . 1 . . . . 42 ALA HB . 15486 1 536 . 1 1 42 42 ALA HB3 H 1 1.12 0.02 . 1 . . . . 42 ALA HB . 15486 1 537 . 1 1 42 42 ALA C C 13 179.63 0.2 . 1 . . . . 42 ALA C . 15486 1 538 . 1 1 42 42 ALA CA C 13 57.60 0.2 . 1 . . . . 42 ALA CA . 15486 1 539 . 1 1 42 42 ALA CB C 13 17.10 0.2 . 1 . . . . 42 ALA CB . 15486 1 540 . 1 1 42 42 ALA N N 15 122.22 0.2 . 1 . . . . 42 ALA N . 15486 1 541 . 1 1 43 43 ASP H H 1 8.76 0.02 . 1 . . . . 43 ASP H . 15486 1 542 . 1 1 43 43 ASP HA H 1 4.67 0.02 . 1 . . . . 43 ASP HA . 15486 1 543 . 1 1 43 43 ASP HB2 H 1 3.04 0.02 . 2 . . . . 43 ASP HB2 . 15486 1 544 . 1 1 43 43 ASP HB3 H 1 2.85 0.02 . 2 . . . . 43 ASP HB3 . 15486 1 545 . 1 1 43 43 ASP C C 13 177.90 0.2 . 1 . . . . 43 ASP C . 15486 1 546 . 1 1 43 43 ASP CA C 13 57.60 0.2 . 1 . . . . 43 ASP CA . 15486 1 547 . 1 1 43 43 ASP CB C 13 40.12 0.2 . 1 . . . . 43 ASP CB . 15486 1 548 . 1 1 43 43 ASP N N 15 119.90 0.2 . 1 . . . . 43 ASP N . 15486 1 549 . 1 1 44 44 HIS H H 1 7.67 0.02 . 1 . . . . 44 HIS H . 15486 1 550 . 1 1 44 44 HIS HA H 1 4.12 0.02 . 1 . . . . 44 HIS HA . 15486 1 551 . 1 1 44 44 HIS HB2 H 1 3.76 0.02 . 2 . . . . 44 HIS HB2 . 15486 1 552 . 1 1 44 44 HIS HB3 H 1 3.26 0.02 . 2 . . . . 44 HIS HB3 . 15486 1 553 . 1 1 44 44 HIS C C 13 178.18 0.2 . 1 . . . . 44 HIS C . 15486 1 554 . 1 1 44 44 HIS CA C 13 59.22 0.2 . 1 . . . . 44 HIS CA . 15486 1 555 . 1 1 44 44 HIS CB C 13 31.69 0.2 . 1 . . . . 44 HIS CB . 15486 1 556 . 1 1 44 44 HIS N N 15 119.95 0.2 . 1 . . . . 44 HIS N . 15486 1 557 . 1 1 45 45 ARG H H 1 9.05 0.02 . 1 . . . . 45 ARG H . 15486 1 558 . 1 1 45 45 ARG HA H 1 4.34 0.02 . 1 . . . . 45 ARG HA . 15486 1 559 . 1 1 45 45 ARG HB2 H 1 2.18 0.02 . 2 . . . . 45 ARG HB2 . 15486 1 560 . 1 1 45 45 ARG HB3 H 1 1.68 0.02 . 2 . . . . 45 ARG HB3 . 15486 1 561 . 1 1 45 45 ARG HD2 H 1 4.21 0.02 . 2 . . . . 45 ARG HD2 . 15486 1 562 . 1 1 45 45 ARG HD3 H 1 2.68 0.02 . 2 . . . . 45 ARG HD3 . 15486 1 563 . 1 1 45 45 ARG HG2 H 1 1.85 0.02 . 1 . . . . 45 ARG HG2 . 15486 1 564 . 1 1 45 45 ARG HG3 H 1 1.85 0.02 . 1 . . . . 45 ARG HG3 . 15486 1 565 . 1 1 45 45 ARG C C 13 177.87 0.2 . 1 . . . . 45 ARG C . 15486 1 566 . 1 1 45 45 ARG CA C 13 57.14 0.2 . 1 . . . . 45 ARG CA . 15486 1 567 . 1 1 45 45 ARG CB C 13 28.67 0.2 . 1 . . . . 45 ARG CB . 15486 1 568 . 1 1 45 45 ARG CD C 13 43.07 0.2 . 1 . . . . 45 ARG CD . 15486 1 569 . 1 1 45 45 ARG CG C 13 27.11 0.2 . 1 . . . . 45 ARG CG . 15486 1 570 . 1 1 45 45 ARG N N 15 118.41 0.2 . 1 . . . . 45 ARG N . 15486 1 571 . 1 1 46 46 LEU H H 1 9.05 0.02 . 1 . . . . 46 LEU H . 15486 1 572 . 1 1 46 46 LEU HA H 1 4.04 0.02 . 1 . . . . 46 LEU HA . 15486 1 573 . 1 1 46 46 LEU HB2 H 1 2.15 0.02 . 2 . . . . 46 LEU HB2 . 15486 1 574 . 1 1 46 46 LEU HB3 H 1 1.87 0.02 . 2 . . . . 46 LEU HB3 . 15486 1 575 . 1 1 46 46 LEU HD11 H 1 1.01 0.02 . 1 . . . . 46 LEU HD1 . 15486 1 576 . 1 1 46 46 LEU HD12 H 1 1.01 0.02 . 1 . . . . 46 LEU HD1 . 15486 1 577 . 1 1 46 46 LEU HD13 H 1 1.01 0.02 . 1 . . . . 46 LEU HD1 . 15486 1 578 . 1 1 46 46 LEU HD21 H 1 0.98 0.02 . 1 . . . . 46 LEU HD2 . 15486 1 579 . 1 1 46 46 LEU HD22 H 1 0.98 0.02 . 1 . . . . 46 LEU HD2 . 15486 1 580 . 1 1 46 46 LEU HD23 H 1 0.98 0.02 . 1 . . . . 46 LEU HD2 . 15486 1 581 . 1 1 46 46 LEU HG H 1 1.58 0.02 . 1 . . . . 46 LEU HG . 15486 1 582 . 1 1 46 46 LEU C C 13 180.35 0.2 . 1 . . . . 46 LEU C . 15486 1 583 . 1 1 46 46 LEU CA C 13 58.53 0.2 . 1 . . . . 46 LEU CA . 15486 1 584 . 1 1 46 46 LEU CB C 13 41.86 0.2 . 1 . . . . 46 LEU CB . 15486 1 585 . 1 1 46 46 LEU CD1 C 13 23.81 0.2 . 2 . . . . 46 LEU CD1 . 15486 1 586 . 1 1 46 46 LEU CD2 C 13 26.06 0.2 . 2 . . . . 46 LEU CD2 . 15486 1 587 . 1 1 46 46 LEU CG C 13 27.53 0.2 . 1 . . . . 46 LEU CG . 15486 1 588 . 1 1 46 46 LEU N N 15 121.07 0.2 . 1 . . . . 46 LEU N . 15486 1 589 . 1 1 47 47 ALA H H 1 8.32 0.02 . 1 . . . . 47 ALA H . 15486 1 590 . 1 1 47 47 ALA HA H 1 3.80 0.02 . 1 . . . . 47 ALA HA . 15486 1 591 . 1 1 47 47 ALA HB1 H 1 1.14 0.02 . 1 . . . . 47 ALA HB . 15486 1 592 . 1 1 47 47 ALA HB2 H 1 1.14 0.02 . 1 . . . . 47 ALA HB . 15486 1 593 . 1 1 47 47 ALA HB3 H 1 1.14 0.02 . 1 . . . . 47 ALA HB . 15486 1 594 . 1 1 47 47 ALA C C 13 179.27 0.2 . 1 . . . . 47 ALA C . 15486 1 595 . 1 1 47 47 ALA CA C 13 56.15 0.2 . 1 . . . . 47 ALA CA . 15486 1 596 . 1 1 47 47 ALA CB C 13 17.85 0.2 . 1 . . . . 47 ALA CB . 15486 1 597 . 1 1 47 47 ALA N N 15 124.58 0.2 . 1 . . . . 47 ALA N . 15486 1 598 . 1 1 48 48 GLU H H 1 8.09 0.02 . 1 . . . . 48 GLU H . 15486 1 599 . 1 1 48 48 GLU HA H 1 4.29 0.02 . 1 . . . . 48 GLU HA . 15486 1 600 . 1 1 48 48 GLU HB2 H 1 2.63 0.02 . 2 . . . . 48 GLU HB2 . 15486 1 601 . 1 1 48 48 GLU HB3 H 1 2.12 0.02 . 2 . . . . 48 GLU HB3 . 15486 1 602 . 1 1 48 48 GLU HG2 H 1 3.01 0.02 . 2 . . . . 48 GLU HG2 . 15486 1 603 . 1 1 48 48 GLU HG3 H 1 2.83 0.02 . 2 . . . . 48 GLU HG3 . 15486 1 604 . 1 1 48 48 GLU C C 13 180.66 0.2 . 1 . . . . 48 GLU C . 15486 1 605 . 1 1 48 48 GLU CA C 13 59.88 0.2 . 1 . . . . 48 GLU CA . 15486 1 606 . 1 1 48 48 GLU CB C 13 30.72 0.2 . 1 . . . . 48 GLU CB . 15486 1 607 . 1 1 48 48 GLU CG C 13 39.10 0.2 . 1 . . . . 48 GLU CG . 15486 1 608 . 1 1 48 48 GLU N N 15 117.38 0.2 . 1 . . . . 48 GLU N . 15486 1 609 . 1 1 49 49 LEU H H 1 8.74 0.02 . 1 . . . . 49 LEU H . 15486 1 610 . 1 1 49 49 LEU HA H 1 4.21 0.02 . 1 . . . . 49 LEU HA . 15486 1 611 . 1 1 49 49 LEU HB2 H 1 1.93 0.02 . 2 . . . . 49 LEU HB2 . 15486 1 612 . 1 1 49 49 LEU HB3 H 1 1.38 0.02 . 2 . . . . 49 LEU HB3 . 15486 1 613 . 1 1 49 49 LEU HD11 H 1 0.66 0.02 . 1 . . . . 49 LEU HD1 . 15486 1 614 . 1 1 49 49 LEU HD12 H 1 0.66 0.02 . 1 . . . . 49 LEU HD1 . 15486 1 615 . 1 1 49 49 LEU HD13 H 1 0.66 0.02 . 1 . . . . 49 LEU HD1 . 15486 1 616 . 1 1 49 49 LEU HD21 H 1 0.79 0.02 . 1 . . . . 49 LEU HD2 . 15486 1 617 . 1 1 49 49 LEU HD22 H 1 0.79 0.02 . 1 . . . . 49 LEU HD2 . 15486 1 618 . 1 1 49 49 LEU HD23 H 1 0.79 0.02 . 1 . . . . 49 LEU HD2 . 15486 1 619 . 1 1 49 49 LEU HG H 1 1.69 0.02 . 1 . . . . 49 LEU HG . 15486 1 620 . 1 1 49 49 LEU C C 13 179.86 0.2 . 1 . . . . 49 LEU C . 15486 1 621 . 1 1 49 49 LEU CA C 13 57.20 0.2 . 1 . . . . 49 LEU CA . 15486 1 622 . 1 1 49 49 LEU CB C 13 43.04 0.2 . 1 . . . . 49 LEU CB . 15486 1 623 . 1 1 49 49 LEU CD1 C 13 27.12 0.2 . 2 . . . . 49 LEU CD1 . 15486 1 624 . 1 1 49 49 LEU CD2 C 13 23.12 0.2 . 2 . . . . 49 LEU CD2 . 15486 1 625 . 1 1 49 49 LEU CG C 13 27.39 0.2 . 1 . . . . 49 LEU CG . 15486 1 626 . 1 1 49 49 LEU N N 15 117.68 0.2 . 1 . . . . 49 LEU N . 15486 1 627 . 1 1 50 50 THR H H 1 8.30 0.02 . 1 . . . . 50 THR H . 15486 1 628 . 1 1 50 50 THR HA H 1 3.97 0.02 . 1 . . . . 50 THR HA . 15486 1 629 . 1 1 50 50 THR HB H 1 4.25 0.02 . 1 . . . . 50 THR HB . 15486 1 630 . 1 1 50 50 THR HG21 H 1 1.25 0.02 . 1 . . . . 50 THR HG2 . 15486 1 631 . 1 1 50 50 THR HG22 H 1 1.25 0.02 . 1 . . . . 50 THR HG2 . 15486 1 632 . 1 1 50 50 THR HG23 H 1 1.25 0.02 . 1 . . . . 50 THR HG2 . 15486 1 633 . 1 1 50 50 THR C C 13 175.44 0.2 . 1 . . . . 50 THR C . 15486 1 634 . 1 1 50 50 THR CA C 13 66.87 0.2 . 1 . . . . 50 THR CA . 15486 1 635 . 1 1 50 50 THR CB C 13 68.96 0.2 . 1 . . . . 50 THR CB . 15486 1 636 . 1 1 50 50 THR CG2 C 13 20.67 0.2 . 1 . . . . 50 THR CG2 . 15486 1 637 . 1 1 50 50 THR N N 15 116.17 0.2 . 1 . . . . 50 THR N . 15486 1 638 . 1 1 51 51 MET H H 1 7.85 0.02 . 1 . . . . 51 MET H . 15486 1 639 . 1 1 51 51 MET HA H 1 4.65 0.02 . 1 . . . . 51 MET HA . 15486 1 640 . 1 1 51 51 MET HB2 H 1 2.18 0.02 . 2 . . . . 51 MET HB2 . 15486 1 641 . 1 1 51 51 MET HB3 H 1 2.04 0.02 . 2 . . . . 51 MET HB3 . 15486 1 642 . 1 1 51 51 MET HG2 H 1 3.07 0.02 . 2 . . . . 51 MET HG2 . 15486 1 643 . 1 1 51 51 MET HG3 H 1 2.52 0.02 . 2 . . . . 51 MET HG3 . 15486 1 644 . 1 1 51 51 MET C C 13 176.45 0.2 . 1 . . . . 51 MET C . 15486 1 645 . 1 1 51 51 MET CA C 13 53.77 0.2 . 1 . . . . 51 MET CA . 15486 1 646 . 1 1 51 51 MET CB C 13 31.24 0.2 . 1 . . . . 51 MET CB . 15486 1 647 . 1 1 51 51 MET CG C 13 32.02 0.2 . 1 . . . . 51 MET CG . 15486 1 648 . 1 1 51 51 MET N N 15 115.64 0.2 . 1 . . . . 51 MET N . 15486 1 649 . 1 1 52 52 ASN H H 1 8.13 0.02 . 1 . . . . 52 ASN H . 15486 1 650 . 1 1 52 52 ASN HA H 1 4.36 0.02 . 1 . . . . 52 ASN HA . 15486 1 651 . 1 1 52 52 ASN HB2 H 1 3.24 0.02 . 2 . . . . 52 ASN HB2 . 15486 1 652 . 1 1 52 52 ASN HB3 H 1 2.67 0.02 . 2 . . . . 52 ASN HB3 . 15486 1 653 . 1 1 52 52 ASN C C 13 173.83 0.2 . 1 . . . . 52 ASN C . 15486 1 654 . 1 1 52 52 ASN CA C 13 53.90 0.2 . 1 . . . . 52 ASN CA . 15486 1 655 . 1 1 52 52 ASN CB C 13 37.03 0.2 . 1 . . . . 52 ASN CB . 15486 1 656 . 1 1 52 52 ASN N N 15 117.81 0.2 . 1 . . . . 52 ASN N . 15486 1 657 . 1 1 53 53 LYS H H 1 8.01 0.02 . 1 . . . . 53 LYS H . 15486 1 658 . 1 1 53 53 LYS HA H 1 4.31 0.02 . 1 . . . . 53 LYS HA . 15486 1 659 . 1 1 53 53 LYS HB2 H 1 1.21 0.02 . 2 . . . . 53 LYS HB2 . 15486 1 660 . 1 1 53 53 LYS HB3 H 1 1.11 0.02 . 2 . . . . 53 LYS HB3 . 15486 1 661 . 1 1 53 53 LYS HD2 H 1 1.50 0.02 . 1 . . . . 53 LYS HD2 . 15486 1 662 . 1 1 53 53 LYS HD3 H 1 1.50 0.02 . 1 . . . . 53 LYS HD3 . 15486 1 663 . 1 1 53 53 LYS HE2 H 1 2.86 0.02 . 1 . . . . 53 LYS HE2 . 15486 1 664 . 1 1 53 53 LYS HE3 H 1 2.86 0.02 . 1 . . . . 53 LYS HE3 . 15486 1 665 . 1 1 53 53 LYS HG2 H 1 0.96 0.02 . 1 . . . . 53 LYS HG2 . 15486 1 666 . 1 1 53 53 LYS HG3 H 1 0.96 0.02 . 1 . . . . 53 LYS HG3 . 15486 1 667 . 1 1 53 53 LYS C C 13 173.47 0.2 . 1 . . . . 53 LYS C . 15486 1 668 . 1 1 53 53 LYS CA C 13 55.14 0.2 . 1 . . . . 53 LYS CA . 15486 1 669 . 1 1 53 53 LYS CB C 13 36.43 0.2 . 1 . . . . 53 LYS CB . 15486 1 670 . 1 1 53 53 LYS CD C 13 28.68 0.2 . 1 . . . . 53 LYS CD . 15486 1 671 . 1 1 53 53 LYS CE C 13 42.18 0.2 . 1 . . . . 53 LYS CE . 15486 1 672 . 1 1 53 53 LYS CG C 13 23.68 0.2 . 1 . . . . 53 LYS CG . 15486 1 673 . 1 1 53 53 LYS N N 15 116.72 0.2 . 1 . . . . 53 LYS N . 15486 1 674 . 1 1 54 54 LEU H H 1 7.62 0.02 . 1 . . . . 54 LEU H . 15486 1 675 . 1 1 54 54 LEU HA H 1 4.37 0.02 . 1 . . . . 54 LEU HA . 15486 1 676 . 1 1 54 54 LEU HB2 H 1 1.54 0.02 . 2 . . . . 54 LEU HB2 . 15486 1 677 . 1 1 54 54 LEU HB3 H 1 1.20 0.02 . 2 . . . . 54 LEU HB3 . 15486 1 678 . 1 1 54 54 LEU HD11 H 1 0.74 0.02 . 1 . . . . 54 LEU HD1 . 15486 1 679 . 1 1 54 54 LEU HD12 H 1 0.74 0.02 . 1 . . . . 54 LEU HD1 . 15486 1 680 . 1 1 54 54 LEU HD13 H 1 0.74 0.02 . 1 . . . . 54 LEU HD1 . 15486 1 681 . 1 1 54 54 LEU HD21 H 1 0.81 0.02 . 1 . . . . 54 LEU HD2 . 15486 1 682 . 1 1 54 54 LEU HD22 H 1 0.81 0.02 . 1 . . . . 54 LEU HD2 . 15486 1 683 . 1 1 54 54 LEU HD23 H 1 0.81 0.02 . 1 . . . . 54 LEU HD2 . 15486 1 684 . 1 1 54 54 LEU HG H 1 1.56 0.02 . 1 . . . . 54 LEU HG . 15486 1 685 . 1 1 54 54 LEU C C 13 176.87 0.2 . 1 . . . . 54 LEU C . 15486 1 686 . 1 1 54 54 LEU CA C 13 53.65 0.2 . 1 . . . . 54 LEU CA . 15486 1 687 . 1 1 54 54 LEU CB C 13 42.67 0.2 . 1 . . . . 54 LEU CB . 15486 1 688 . 1 1 54 54 LEU CD1 C 13 23.03 0.2 . 1 . . . . 54 LEU CD1 . 15486 1 689 . 1 1 54 54 LEU CD2 C 13 25.35 0.2 . 1 . . . . 54 LEU CD2 . 15486 1 690 . 1 1 54 54 LEU CG C 13 26.60 0.2 . 1 . . . . 54 LEU CG . 15486 1 691 . 1 1 54 54 LEU N N 15 117.12 0.2 . 1 . . . . 54 LEU N . 15486 1 692 . 1 1 55 55 TYR H H 1 9.93 0.02 . 1 . . . . 55 TYR H . 15486 1 693 . 1 1 55 55 TYR HA H 1 4.88 0.02 . 1 . . . . 55 TYR HA . 15486 1 694 . 1 1 55 55 TYR HB2 H 1 2.77 0.02 . 2 . . . . 55 TYR HB2 . 15486 1 695 . 1 1 55 55 TYR HB3 H 1 2.18 0.02 . 2 . . . . 55 TYR HB3 . 15486 1 696 . 1 1 55 55 TYR HD1 H 1 6.95 0.02 . 1 . . . . 55 TYR HD1 . 15486 1 697 . 1 1 55 55 TYR HD2 H 1 6.95 0.02 . 1 . . . . 55 TYR HD2 . 15486 1 698 . 1 1 55 55 TYR HE1 H 1 6.43 0.02 . 1 . . . . 55 TYR HE1 . 15486 1 699 . 1 1 55 55 TYR HE2 H 1 6.43 0.02 . 1 . . . . 55 TYR HE2 . 15486 1 700 . 1 1 55 55 TYR C C 13 176.30 0.2 . 1 . . . . 55 TYR C . 15486 1 701 . 1 1 55 55 TYR CA C 13 57.20 0.2 . 1 . . . . 55 TYR CA . 15486 1 702 . 1 1 55 55 TYR CB C 13 43.07 0.2 . 1 . . . . 55 TYR CB . 15486 1 703 . 1 1 55 55 TYR CD1 C 13 133.89 0.2 . 1 . . . . 55 TYR CD1 . 15486 1 704 . 1 1 55 55 TYR CD2 C 13 133.89 0.2 . 1 . . . . 55 TYR CD2 . 15486 1 705 . 1 1 55 55 TYR CE1 C 13 116.88 0.2 . 1 . . . . 55 TYR CE1 . 15486 1 706 . 1 1 55 55 TYR CE2 C 13 116.88 0.2 . 1 . . . . 55 TYR CE2 . 15486 1 707 . 1 1 55 55 TYR N N 15 120.18 0.2 . 1 . . . . 55 TYR N . 15486 1 708 . 1 1 56 56 ASP H H 1 8.91 0.02 . 1 . . . . 56 ASP H . 15486 1 709 . 1 1 56 56 ASP HA H 1 4.78 0.02 . 1 . . . . 56 ASP HA . 15486 1 710 . 1 1 56 56 ASP HB2 H 1 2.80 0.02 . 2 . . . . 56 ASP HB2 . 15486 1 711 . 1 1 56 56 ASP HB3 H 1 2.73 0.02 . 2 . . . . 56 ASP HB3 . 15486 1 712 . 1 1 56 56 ASP C C 13 176.33 0.2 . 1 . . . . 56 ASP C . 15486 1 713 . 1 1 56 56 ASP CA C 13 56.00 0.2 . 1 . . . . 56 ASP CA . 15486 1 714 . 1 1 56 56 ASP CB C 13 40.79 0.2 . 1 . . . . 56 ASP CB . 15486 1 715 . 1 1 56 56 ASP N N 15 120.92 0.2 . 1 . . . . 56 ASP N . 15486 1 716 . 1 1 57 57 LYS H H 1 7.77 0.02 . 1 . . . . 57 LYS H . 15486 1 717 . 1 1 57 57 LYS HA H 1 4.52 0.02 . 1 . . . . 57 LYS HA . 15486 1 718 . 1 1 57 57 LYS HB2 H 1 1.74 0.02 . 2 . . . . 57 LYS HB2 . 15486 1 719 . 1 1 57 57 LYS HB3 H 1 1.71 0.02 . 2 . . . . 57 LYS HB3 . 15486 1 720 . 1 1 57 57 LYS HD2 H 1 1.70 0.02 . 1 . . . . 57 LYS HD2 . 15486 1 721 . 1 1 57 57 LYS HD3 H 1 1.70 0.02 . 1 . . . . 57 LYS HD3 . 15486 1 722 . 1 1 57 57 LYS HE2 H 1 3.01 0.02 . 1 . . . . 57 LYS HE2 . 15486 1 723 . 1 1 57 57 LYS HE3 H 1 3.01 0.02 . 1 . . . . 57 LYS HE3 . 15486 1 724 . 1 1 57 57 LYS HG2 H 1 1.40 0.02 . 2 . . . . 57 LYS HG2 . 15486 1 725 . 1 1 57 57 LYS HG3 H 1 1.37 0.02 . 2 . . . . 57 LYS HG3 . 15486 1 726 . 1 1 57 57 LYS C C 13 175.36 0.2 . 1 . . . . 57 LYS C . 15486 1 727 . 1 1 57 57 LYS CA C 13 54.90 0.2 . 1 . . . . 57 LYS CA . 15486 1 728 . 1 1 57 57 LYS CB C 13 34.70 0.2 . 1 . . . . 57 LYS CB . 15486 1 729 . 1 1 57 57 LYS CD C 13 29.06 0.2 . 1 . . . . 57 LYS CD . 15486 1 730 . 1 1 57 57 LYS CE C 13 42.38 0.2 . 1 . . . . 57 LYS CE . 15486 1 731 . 1 1 57 57 LYS CG C 13 24.49 0.2 . 1 . . . . 57 LYS CG . 15486 1 732 . 1 1 57 57 LYS N N 15 118.07 0.2 . 1 . . . . 57 LYS N . 15486 1 733 . 1 1 58 58 ILE H H 1 8.94 0.02 . 1 . . . . 58 ILE H . 15486 1 734 . 1 1 58 58 ILE HA H 1 3.42 0.02 . 1 . . . . 58 ILE HA . 15486 1 735 . 1 1 58 58 ILE HB H 1 1.62 0.02 . 1 . . . . 58 ILE HB . 15486 1 736 . 1 1 58 58 ILE HD11 H 1 -0.05 0.02 . 1 . . . . 58 ILE HD1 . 15486 1 737 . 1 1 58 58 ILE HD12 H 1 -0.05 0.02 . 1 . . . . 58 ILE HD1 . 15486 1 738 . 1 1 58 58 ILE HD13 H 1 -0.05 0.02 . 1 . . . . 58 ILE HD1 . 15486 1 739 . 1 1 58 58 ILE HG12 H 1 0.87 0.02 . 2 . . . . 58 ILE HG12 . 15486 1 740 . 1 1 58 58 ILE HG13 H 1 0.63 0.02 . 2 . . . . 58 ILE HG13 . 15486 1 741 . 1 1 58 58 ILE HG21 H 1 -0.24 0.02 . 1 . . . . 58 ILE HG2 . 15486 1 742 . 1 1 58 58 ILE HG22 H 1 -0.24 0.02 . 1 . . . . 58 ILE HG2 . 15486 1 743 . 1 1 58 58 ILE HG23 H 1 -0.24 0.02 . 1 . . . . 58 ILE HG2 . 15486 1 744 . 1 1 58 58 ILE CA C 13 57.72 0.2 . 1 . . . . 58 ILE CA . 15486 1 745 . 1 1 58 58 ILE CB C 13 36.79 0.2 . 1 . . . . 58 ILE CB . 15486 1 746 . 1 1 58 58 ILE CD1 C 13 10.40 0.2 . 1 . . . . 58 ILE CD1 . 15486 1 747 . 1 1 58 58 ILE CG1 C 13 27.06 0.2 . 1 . . . . 58 ILE CG1 . 15486 1 748 . 1 1 58 58 ILE CG2 C 13 15.51 0.2 . 1 . . . . 58 ILE CG2 . 15486 1 749 . 1 1 58 58 ILE N N 15 126.11 0.2 . 1 . . . . 58 ILE N . 15486 1 750 . 1 1 59 59 PRO HA H 1 4.68 0.02 . 1 . . . . 59 PRO HA . 15486 1 751 . 1 1 59 59 PRO HB2 H 1 2.46 0.02 . 1 . . . . 59 PRO HB2 . 15486 1 752 . 1 1 59 59 PRO HB3 H 1 1.77 0.02 . 1 . . . . 59 PRO HB3 . 15486 1 753 . 1 1 59 59 PRO HD2 H 1 3.60 0.02 . 1 . . . . 59 PRO HD2 . 15486 1 754 . 1 1 59 59 PRO HD3 H 1 2.61 0.02 . 1 . . . . 59 PRO HD3 . 15486 1 755 . 1 1 59 59 PRO HG2 H 1 1.96 0.02 . 1 . . . . 59 PRO HG2 . 15486 1 756 . 1 1 59 59 PRO HG3 H 1 1.96 0.02 . 1 . . . . 59 PRO HG3 . 15486 1 757 . 1 1 59 59 PRO CA C 13 61.50 0.2 . 1 . . . . 59 PRO CA . 15486 1 758 . 1 1 59 59 PRO CB C 13 31.60 0.2 . 1 . . . . 59 PRO CB . 15486 1 759 . 1 1 59 59 PRO CD C 13 51.04 0.2 . 1 . . . . 59 PRO CD . 15486 1 760 . 1 1 59 59 PRO CG C 13 27.65 0.2 . 1 . . . . 59 PRO CG . 15486 1 761 . 1 1 60 60 PRO HA H 1 4.42 0.02 . 1 . . . . 60 PRO HA . 15486 1 762 . 1 1 60 60 PRO HB2 H 1 2.52 0.02 . 2 . . . . 60 PRO HB2 . 15486 1 763 . 1 1 60 60 PRO HB3 H 1 2.09 0.02 . 2 . . . . 60 PRO HB3 . 15486 1 764 . 1 1 60 60 PRO HD2 H 1 3.90 0.02 . 1 . . . . 60 PRO HD2 . 15486 1 765 . 1 1 60 60 PRO HD3 H 1 3.90 0.02 . 1 . . . . 60 PRO HD3 . 15486 1 766 . 1 1 60 60 PRO HG2 H 1 2.18 0.02 . 1 . . . . 60 PRO HG2 . 15486 1 767 . 1 1 60 60 PRO HG3 H 1 2.18 0.02 . 1 . . . . 60 PRO HG3 . 15486 1 768 . 1 1 60 60 PRO C C 13 178.60 0.2 . 1 . . . . 60 PRO C . 15486 1 769 . 1 1 60 60 PRO CA C 13 65.47 0.2 . 1 . . . . 60 PRO CA . 15486 1 770 . 1 1 60 60 PRO CB C 13 32.19 0.2 . 1 . . . . 60 PRO CB . 15486 1 771 . 1 1 60 60 PRO CD C 13 50.59 0.2 . 1 . . . . 60 PRO CD . 15486 1 772 . 1 1 60 60 PRO CG C 13 27.82 0.2 . 1 . . . . 60 PRO CG . 15486 1 773 . 1 1 61 61 THR H H 1 7.52 0.02 . 1 . . . . 61 THR H . 15486 1 774 . 1 1 61 61 THR HA H 1 4.11 0.02 . 1 . . . . 61 THR HA . 15486 1 775 . 1 1 61 61 THR HB H 1 4.30 0.02 . 1 . . . . 61 THR HB . 15486 1 776 . 1 1 61 61 THR HG21 H 1 1.30 0.02 . 1 . . . . 61 THR HG2 . 15486 1 777 . 1 1 61 61 THR HG22 H 1 1.30 0.02 . 1 . . . . 61 THR HG2 . 15486 1 778 . 1 1 61 61 THR HG23 H 1 1.30 0.02 . 1 . . . . 61 THR HG2 . 15486 1 779 . 1 1 61 61 THR C C 13 176.50 0.2 . 1 . . . . 61 THR C . 15486 1 780 . 1 1 61 61 THR CA C 13 63.58 0.2 . 1 . . . . 61 THR CA . 15486 1 781 . 1 1 61 61 THR CB C 13 68.68 0.2 . 1 . . . . 61 THR CB . 15486 1 782 . 1 1 61 61 THR CG2 C 13 22.23 0.2 . 1 . . . . 61 THR CG2 . 15486 1 783 . 1 1 61 61 THR N N 15 106.02 0.2 . 1 . . . . 61 THR N . 15486 1 784 . 1 1 62 62 VAL H H 1 7.51 0.02 . 1 . . . . 62 VAL H . 15486 1 785 . 1 1 62 62 VAL HA H 1 3.74 0.02 . 1 . . . . 62 VAL HA . 15486 1 786 . 1 1 62 62 VAL HB H 1 1.52 0.02 . 1 . . . . 62 VAL HB . 15486 1 787 . 1 1 62 62 VAL HG11 H 1 0.43 0.02 . 1 . . . . 62 VAL HG1 . 15486 1 788 . 1 1 62 62 VAL HG12 H 1 0.43 0.02 . 1 . . . . 62 VAL HG1 . 15486 1 789 . 1 1 62 62 VAL HG13 H 1 0.43 0.02 . 1 . . . . 62 VAL HG1 . 15486 1 790 . 1 1 62 62 VAL HG21 H 1 0.77 0.02 . 1 . . . . 62 VAL HG2 . 15486 1 791 . 1 1 62 62 VAL HG22 H 1 0.77 0.02 . 1 . . . . 62 VAL HG2 . 15486 1 792 . 1 1 62 62 VAL HG23 H 1 0.77 0.02 . 1 . . . . 62 VAL HG2 . 15486 1 793 . 1 1 62 62 VAL C C 13 177.60 0.2 . 1 . . . . 62 VAL C . 15486 1 794 . 1 1 62 62 VAL CA C 13 65.26 0.2 . 1 . . . . 62 VAL CA . 15486 1 795 . 1 1 62 62 VAL CB C 13 31.32 0.2 . 1 . . . . 62 VAL CB . 15486 1 796 . 1 1 62 62 VAL CG1 C 13 21.10 0.2 . 2 . . . . 62 VAL CG1 . 15486 1 797 . 1 1 62 62 VAL CG2 C 13 23.35 0.2 . 2 . . . . 62 VAL CG2 . 15486 1 798 . 1 1 62 62 VAL N N 15 120.91 0.2 . 1 . . . . 62 VAL N . 15486 1 799 . 1 1 63 63 TRP H H 1 6.88 0.02 . 1 . . . . 63 TRP H . 15486 1 800 . 1 1 63 63 TRP HA H 1 4.39 0.02 . 1 . . . . 63 TRP HA . 15486 1 801 . 1 1 63 63 TRP HB2 H 1 3.28 0.02 . 2 . . . . 63 TRP HB2 . 15486 1 802 . 1 1 63 63 TRP HB3 H 1 3.01 0.02 . 2 . . . . 63 TRP HB3 . 15486 1 803 . 1 1 63 63 TRP HD1 H 1 7.26 0.02 . 1 . . . . 63 TRP HD1 . 15486 1 804 . 1 1 63 63 TRP HE1 H 1 10.25 0.02 . 1 . . . . 63 TRP HE1 . 15486 1 805 . 1 1 63 63 TRP HE3 H 1 7.14 0.02 . 1 . . . . 63 TRP HE3 . 15486 1 806 . 1 1 63 63 TRP HH2 H 1 6.94 0.02 . 1 . . . . 63 TRP HH2 . 15486 1 807 . 1 1 63 63 TRP HZ2 H 1 7.28 0.02 . 1 . . . . 63 TRP HZ2 . 15486 1 808 . 1 1 63 63 TRP HZ3 H 1 6.78 0.02 . 1 . . . . 63 TRP HZ3 . 15486 1 809 . 1 1 63 63 TRP C C 13 177.63 0.2 . 1 . . . . 63 TRP C . 15486 1 810 . 1 1 63 63 TRP CA C 13 58.88 0.2 . 1 . . . . 63 TRP CA . 15486 1 811 . 1 1 63 63 TRP CB C 13 29.60 0.2 . 1 . . . . 63 TRP CB . 15486 1 812 . 1 1 63 63 TRP CD1 C 13 127.80 0.2 . 1 . . . . 63 TRP CD1 . 15486 1 813 . 1 1 63 63 TRP CE3 C 13 119.80 0.2 . 1 . . . . 63 TRP CE3 . 15486 1 814 . 1 1 63 63 TRP CH2 C 13 124.60 0.2 . 1 . . . . 63 TRP CH2 . 15486 1 815 . 1 1 63 63 TRP CZ2 C 13 115.20 0.2 . 1 . . . . 63 TRP CZ2 . 15486 1 816 . 1 1 63 63 TRP CZ3 C 13 121.30 0.2 . 1 . . . . 63 TRP CZ3 . 15486 1 817 . 1 1 63 63 TRP N N 15 116.79 0.2 . 1 . . . . 63 TRP N . 15486 1 818 . 1 1 63 63 TRP NE1 N 15 128.78 0.2 . 1 . . . . 63 TRP NE1 . 15486 1 819 . 1 1 64 64 GLN H H 1 7.81 0.02 . 1 . . . . 64 GLN H . 15486 1 820 . 1 1 64 64 GLN HA H 1 4.14 0.02 . 1 . . . . 64 GLN HA . 15486 1 821 . 1 1 64 64 GLN HB2 H 1 1.99 0.02 . 2 . . . . 64 GLN HB2 . 15486 1 822 . 1 1 64 64 GLN HB3 H 1 1.88 0.02 . 2 . . . . 64 GLN HB3 . 15486 1 823 . 1 1 64 64 GLN HG2 H 1 2.26 0.02 . 2 . . . . 64 GLN HG2 . 15486 1 824 . 1 1 64 64 GLN HG3 H 1 1.90 0.02 . 2 . . . . 64 GLN HG3 . 15486 1 825 . 1 1 64 64 GLN C C 13 176.47 0.2 . 1 . . . . 64 GLN C . 15486 1 826 . 1 1 64 64 GLN CA C 13 57.53 0.2 . 1 . . . . 64 GLN CA . 15486 1 827 . 1 1 64 64 GLN CB C 13 28.28 0.2 . 1 . . . . 64 GLN CB . 15486 1 828 . 1 1 64 64 GLN CG C 13 33.17 0.2 . 1 . . . . 64 GLN CG . 15486 1 829 . 1 1 64 64 GLN N N 15 115.16 0.2 . 1 . . . . 64 GLN N . 15486 1 830 . 1 1 65 65 HIS H H 1 7.85 0.02 . 1 . . . . 65 HIS H . 15486 1 831 . 1 1 65 65 HIS HA H 1 4.65 0.02 . 1 . . . . 65 HIS HA . 15486 1 832 . 1 1 65 65 HIS HB2 H 1 3.31 0.02 . 2 . . . . 65 HIS HB2 . 15486 1 833 . 1 1 65 65 HIS HB3 H 1 3.14 0.02 . 2 . . . . 65 HIS HB3 . 15486 1 834 . 1 1 65 65 HIS C C 13 174.75 0.2 . 1 . . . . 65 HIS C . 15486 1 835 . 1 1 65 65 HIS CA C 13 56.44 0.2 . 1 . . . . 65 HIS CA . 15486 1 836 . 1 1 65 65 HIS CB C 13 31.11 0.2 . 1 . . . . 65 HIS CB . 15486 1 837 . 1 1 65 65 HIS N N 15 115.73 0.2 . 1 . . . . 65 HIS N . 15486 1 838 . 1 1 66 66 VAL H H 1 7.68 0.02 . 1 . . . . 66 VAL H . 15486 1 839 . 1 1 66 66 VAL HA H 1 4.08 0.02 . 1 . . . . 66 VAL HA . 15486 1 840 . 1 1 66 66 VAL HB H 1 2.19 0.02 . 1 . . . . 66 VAL HB . 15486 1 841 . 1 1 66 66 VAL HG11 H 1 0.88 0.02 . 1 . . . . 66 VAL HG1 . 15486 1 842 . 1 1 66 66 VAL HG12 H 1 0.88 0.02 . 1 . . . . 66 VAL HG1 . 15486 1 843 . 1 1 66 66 VAL HG13 H 1 0.88 0.02 . 1 . . . . 66 VAL HG1 . 15486 1 844 . 1 1 66 66 VAL HG21 H 1 0.97 0.02 . 1 . . . . 66 VAL HG2 . 15486 1 845 . 1 1 66 66 VAL HG22 H 1 0.97 0.02 . 1 . . . . 66 VAL HG2 . 15486 1 846 . 1 1 66 66 VAL HG23 H 1 0.97 0.02 . 1 . . . . 66 VAL HG2 . 15486 1 847 . 1 1 66 66 VAL C C 13 175.27 0.2 . 1 . . . . 66 VAL C . 15486 1 848 . 1 1 66 66 VAL CA C 13 62.36 0.2 . 1 . . . . 66 VAL CA . 15486 1 849 . 1 1 66 66 VAL CB C 13 32.80 0.2 . 1 . . . . 66 VAL CB . 15486 1 850 . 1 1 66 66 VAL CG1 C 13 21.17 0.2 . 1 . . . . 66 VAL CG1 . 15486 1 851 . 1 1 66 66 VAL CG2 C 13 21.78 0.2 . 1 . . . . 66 VAL CG2 . 15486 1 852 . 1 1 66 66 VAL N N 15 119.22 0.2 . 1 . . . . 66 VAL N . 15486 1 853 . 1 1 67 67 LYS H H 1 8.37 0.02 . 1 . . . . 67 LYS H . 15486 1 854 . 1 1 67 67 LYS HA H 1 4.18 0.02 . 1 . . . . 67 LYS HA . 15486 1 855 . 1 1 67 67 LYS HB2 H 1 1.62 0.02 . 1 . . . . 67 LYS HB2 . 15486 1 856 . 1 1 67 67 LYS HB3 H 1 1.62 0.02 . 1 . . . . 67 LYS HB3 . 15486 1 857 . 1 1 67 67 LYS HD2 H 1 1.59 0.02 . 1 . . . . 67 LYS HD2 . 15486 1 858 . 1 1 67 67 LYS HD3 H 1 1.59 0.02 . 1 . . . . 67 LYS HD3 . 15486 1 859 . 1 1 67 67 LYS HE2 H 1 2.94 0.02 . 1 . . . . 67 LYS HE2 . 15486 1 860 . 1 1 67 67 LYS HE3 H 1 2.94 0.02 . 1 . . . . 67 LYS HE3 . 15486 1 861 . 1 1 67 67 LYS HG2 H 1 1.27 0.02 . 2 . . . . 67 LYS HG2 . 15486 1 862 . 1 1 67 67 LYS HG3 H 1 1.35 0.02 . 2 . . . . 67 LYS HG3 . 15486 1 863 . 1 1 67 67 LYS C C 13 176.16 0.2 . 1 . . . . 67 LYS C . 15486 1 864 . 1 1 67 67 LYS CA C 13 56.68 0.2 . 1 . . . . 67 LYS CA . 15486 1 865 . 1 1 67 67 LYS CB C 13 32.34 0.2 . 1 . . . . 67 LYS CB . 15486 1 866 . 1 1 67 67 LYS CD C 13 28.78 0.2 . 1 . . . . 67 LYS CD . 15486 1 867 . 1 1 67 67 LYS CE C 13 42.17 0.2 . 1 . . . . 67 LYS CE . 15486 1 868 . 1 1 67 67 LYS CG C 13 24.53 0.2 . 1 . . . . 67 LYS CG . 15486 1 869 . 1 1 67 67 LYS N N 15 124.89 0.2 . 1 . . . . 67 LYS N . 15486 1 870 . 1 1 68 68 HIS H H 1 7.98 0.02 . 1 . . . . 68 HIS H . 15486 1 871 . 1 1 68 68 HIS HA H 1 4.51 0.02 . 1 . . . . 68 HIS HA . 15486 1 872 . 1 1 68 68 HIS HB2 H 1 2.84 0.02 . 2 . . . . 68 HIS HB2 . 15486 1 873 . 1 1 68 68 HIS HB3 H 1 3.04 0.02 . 2 . . . . 68 HIS HB3 . 15486 1 874 . 1 1 68 68 HIS C C 13 173.67 0.2 . 1 . . . . 68 HIS C . 15486 1 875 . 1 1 68 68 HIS CA C 13 55.76 0.2 . 1 . . . . 68 HIS CA . 15486 1 876 . 1 1 68 68 HIS CB C 13 29.96 0.2 . 1 . . . . 68 HIS CB . 15486 1 877 . 1 1 68 68 HIS N N 15 117.11 0.2 . 1 . . . . 68 HIS N . 15486 1 878 . 1 1 69 69 HIS H H 1 7.98 0.02 . 1 . . . . 69 HIS H . 15486 1 879 . 1 1 69 69 HIS HA H 1 4.46 0.02 . 1 . . . . 69 HIS HA . 15486 1 880 . 1 1 69 69 HIS HB2 H 1 2.89 0.02 . 2 . . . . 69 HIS HB2 . 15486 1 881 . 1 1 69 69 HIS HB3 H 1 2.97 0.02 . 2 . . . . 69 HIS HB3 . 15486 1 882 . 1 1 69 69 HIS CA C 13 57.18 0.2 . 1 . . . . 69 HIS CA . 15486 1 883 . 1 1 69 69 HIS CB C 13 29.79 0.2 . 1 . . . . 69 HIS CB . 15486 1 884 . 1 1 69 69 HIS N N 15 124.06 0.2 . 1 . . . . 69 HIS N . 15486 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 15486 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 499.8960284 _Heteronucl_T1_list.T1_coherence_type NzHz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 14 '15N T1' . . . 15486 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $NMRPipe . . 15486 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 LYS N N 15 0.4516 2.2144 . . . . . 15486 1 2 . 1 1 4 4 THR N N 15 0.4393 2.2762 . . . . . 15486 1 3 . 1 1 5 5 ASP N N 15 0.4164 2.4018 . . . . . 15486 1 4 . 1 1 6 6 TYR N N 15 0.4095 2.4420 . . . . . 15486 1 5 . 1 1 7 7 LEU N N 15 0.4017 2.4894 . . . . . 15486 1 6 . 1 1 8 8 MET N N 15 0.4058 2.4645 . . . . . 15486 1 7 . 1 1 9 9 ARG N N 15 0.4130 2.4216 . . . . . 15486 1 8 . 1 1 10 10 LEU N N 15 0.4026 2.4840 . . . . . 15486 1 9 . 1 1 11 11 ARG N N 15 0.3949 2.5323 . . . . . 15486 1 10 . 1 1 12 12 LYS N N 15 0.4115 2.4300 . . . . . 15486 1 11 . 1 1 13 13 CYS N N 15 0.4218 2.3708 . . . . . 15486 1 12 . 1 1 16 16 ILE N N 15 0.4156 2.4059 . . . . . 15486 1 13 . 1 1 17 17 ASP N N 15 0.4247 2.3547 . . . . . 15486 1 14 . 1 1 18 18 THR N N 15 0.4299 2.3263 . . . . . 15486 1 15 . 1 1 19 19 LEU N N 15 0.4115 2.4301 . . . . . 15486 1 16 . 1 1 20 20 GLU N N 15 0.4030 2.4813 . . . . . 15486 1 17 . 1 1 21 21 ARG N N 15 0.4095 2.4423 . . . . . 15486 1 18 . 1 1 22 22 VAL N N 15 0.4143 2.4140 . . . . . 15486 1 19 . 1 1 23 23 ILE N N 15 0.3972 2.5177 . . . . . 15486 1 20 . 1 1 24 24 GLU N N 15 0.4053 2.4672 . . . . . 15486 1 21 . 1 1 25 25 LYS N N 15 0.4272 2.3410 . . . . . 15486 1 22 . 1 1 26 26 ASN N N 15 0.4294 2.3289 . . . . . 15486 1 23 . 1 1 27 27 LYS N N 15 0.4138 2.4166 . . . . . 15486 1 24 . 1 1 28 28 TYR N N 15 0.4337 2.3058 . . . . . 15486 1 25 . 1 1 29 29 GLU N N 15 0.4762 2.1001 . . . . . 15486 1 26 . 1 1 30 30 LEU N N 15 0.4870 2.0534 . . . . . 15486 1 27 . 1 1 31 31 SER N N 15 0.4316 2.3167 . . . . . 15486 1 28 . 1 1 32 32 ASP N N 15 0.4301 2.3252 . . . . . 15486 1 29 . 1 1 33 33 ASP N N 15 0.4427 2.2587 . . . . . 15486 1 30 . 1 1 34 34 GLU N N 15 0.4402 2.2717 . . . . . 15486 1 31 . 1 1 35 35 LEU N N 15 0.4026 2.4838 . . . . . 15486 1 32 . 1 1 36 36 GLU N N 15 0.4132 2.4202 . . . . . 15486 1 33 . 1 1 37 37 LEU N N 15 0.4132 2.4204 . . . . . 15486 1 34 . 1 1 38 38 PHE N N 15 0.3994 2.5035 . . . . . 15486 1 35 . 1 1 39 39 TYR N N 15 0.4052 2.4680 . . . . . 15486 1 36 . 1 1 40 40 SER N N 15 0.4141 2.4151 . . . . . 15486 1 37 . 1 1 41 41 ALA N N 15 0.4013 2.4921 . . . . . 15486 1 38 . 1 1 42 42 ALA N N 15 0.4042 2.4740 . . . . . 15486 1 39 . 1 1 43 43 ASP N N 15 0.4057 2.4651 . . . . . 15486 1 40 . 1 1 44 44 HIS N N 15 0.4060 2.4630 . . . . . 15486 1 41 . 1 1 45 45 ARG N N 15 0.4018 2.4890 . . . . . 15486 1 42 . 1 1 46 46 LEU N N 15 0.3959 2.5260 . . . . . 15486 1 43 . 1 1 47 47 ALA N N 15 0.3985 2.5096 . . . . . 15486 1 44 . 1 1 48 48 GLU N N 15 0.4080 2.4512 . . . . . 15486 1 45 . 1 1 49 49 LEU N N 15 0.4070 2.4573 . . . . . 15486 1 46 . 1 1 50 50 THR N N 15 0.4158 2.4051 . . . . . 15486 1 47 . 1 1 51 51 MET N N 15 0.4151 2.4089 . . . . . 15486 1 48 . 1 1 52 52 ASN N N 15 0.4158 2.4049 . . . . . 15486 1 49 . 1 1 53 53 LYS N N 15 0.4152 2.4086 . . . . . 15486 1 50 . 1 1 54 54 LEU N N 15 0.4822 2.0740 . . . . . 15486 1 51 . 1 1 55 55 TYR N N 15 0.4467 2.2387 . . . . . 15486 1 52 . 1 1 56 56 ASP N N 15 0.4738 2.1106 . . . . . 15486 1 53 . 1 1 57 57 LYS N N 15 0.5097 1.9619 . . . . . 15486 1 54 . 1 1 58 58 ILE N N 15 0.4442 2.2512 . . . . . 15486 1 55 . 1 1 62 62 VAL N N 15 0.4103 2.4372 . . . . . 15486 1 56 . 1 1 63 63 TRP N N 15 0.4114 2.4309 . . . . . 15486 1 57 . 1 1 64 64 GLN N N 15 0.4176 2.3949 . . . . . 15486 1 58 . 1 1 65 65 HIS N N 15 0.4133 2.4196 . . . . . 15486 1 59 . 1 1 66 66 VAL N N 15 0.4460 2.2422 . . . . . 15486 1 60 . 1 1 67 67 LYS N N 15 0.4461 2.2416 . . . . . 15486 1 61 . 1 1 68 68 HIS N N 15 0.4934 2.0267 . . . . . 15486 1 62 . 1 1 69 69 HIS N N 15 0.6333 1.5790 . . . . . 15486 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 15486 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 499.8960284 _Heteronucl_T2_list.T2_coherence_type NzHz _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 15 '15N T2' . . . 15486 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $NMRPipe . . 15486 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 LYS N N 15 0.1347 7.4253 . . . . . . . 15486 1 2 . 1 1 4 4 THR N N 15 0.1151 8.6910 . . . . . . . 15486 1 3 . 1 1 5 5 ASP N N 15 0.1195 8.3682 . . . . . . . 15486 1 4 . 1 1 6 6 TYR N N 15 0.1371 7.2937 . . . . . . . 15486 1 5 . 1 1 7 7 LEU N N 15 0.1167 8.5712 . . . . . . . 15486 1 6 . 1 1 8 8 MET N N 15 0.1391 7.1869 . . . . . . . 15486 1 7 . 1 1 9 9 ARG N N 15 0.1448 6.9056 . . . . . . . 15486 1 8 . 1 1 10 10 LEU N N 15 0.1426 7.0138 . . . . . . . 15486 1 9 . 1 1 11 11 ARG N N 15 0.1154 8.6683 . . . . . . . 15486 1 10 . 1 1 12 12 LYS N N 15 0.1224 8.1679 . . . . . . . 15486 1 11 . 1 1 13 13 CYS N N 15 0.1515 6.6008 . . . . . . . 15486 1 12 . 1 1 16 16 ILE N N 15 0.1225 8.1665 . . . . . . . 15486 1 13 . 1 1 17 17 ASP N N 15 0.1356 7.3720 . . . . . . . 15486 1 14 . 1 1 18 18 THR N N 15 0.1159 8.6308 . . . . . . . 15486 1 15 . 1 1 19 19 LEU N N 15 0.1184 8.4480 . . . . . . . 15486 1 16 . 1 1 20 20 GLU N N 15 0.1388 7.2057 . . . . . . . 15486 1 17 . 1 1 21 21 ARG N N 15 0.1291 7.7448 . . . . . . . 15486 1 18 . 1 1 22 22 VAL N N 15 0.1161 8.6118 . . . . . . . 15486 1 19 . 1 1 23 23 ILE N N 15 0.1159 8.6283 . . . . . . . 15486 1 20 . 1 1 24 24 GLU N N 15 0.1338 7.4752 . . . . . . . 15486 1 21 . 1 1 25 25 LYS N N 15 0.1314 7.6088 . . . . . . . 15486 1 22 . 1 1 26 26 ASN N N 15 0.1483 6.7414 . . . . . . . 15486 1 23 . 1 1 27 27 LYS N N 15 0.1407 7.1053 . . . . . . . 15486 1 24 . 1 1 28 28 TYR N N 15 0.1274 7.8509 . . . . . . . 15486 1 25 . 1 1 29 29 GLU N N 15 0.1629 6.1404 . . . . . . . 15486 1 26 . 1 1 30 30 LEU N N 15 0.1703 5.8707 . . . . . . . 15486 1 27 . 1 1 31 31 SER N N 15 0.1492 6.7007 . . . . . . . 15486 1 28 . 1 1 32 32 ASP N N 15 0.1361 7.3457 . . . . . . . 15486 1 29 . 1 1 33 33 ASP N N 15 0.1524 6.5624 . . . . . . . 15486 1 30 . 1 1 34 34 GLU N N 15 0.1359 7.3565 . . . . . . . 15486 1 31 . 1 1 35 35 LEU N N 15 0.1235 8.0995 . . . . . . . 15486 1 32 . 1 1 36 36 GLU N N 15 0.1392 7.1857 . . . . . . . 15486 1 33 . 1 1 37 37 LEU N N 15 0.1283 7.7951 . . . . . . . 15486 1 34 . 1 1 38 38 PHE N N 15 0.1114 8.9797 . . . . . . . 15486 1 35 . 1 1 39 39 TYR N N 15 0.1293 7.7352 . . . . . . . 15486 1 36 . 1 1 40 40 SER N N 15 0.1214 8.2403 . . . . . . . 15486 1 37 . 1 1 41 41 ALA N N 15 0.1285 7.7838 . . . . . . . 15486 1 38 . 1 1 42 42 ALA N N 15 0.1113 8.9871 . . . . . . . 15486 1 39 . 1 1 43 43 ASP N N 15 0.1174 8.5167 . . . . . . . 15486 1 40 . 1 1 44 44 HIS N N 15 0.1109 9.0184 . . . . . . . 15486 1 41 . 1 1 45 45 ARG N N 15 0.1341 7.4575 . . . . . . . 15486 1 42 . 1 1 46 46 LEU N N 15 0.1134 8.8191 . . . . . . . 15486 1 43 . 1 1 47 47 ALA N N 15 0.1198 8.3472 . . . . . . . 15486 1 44 . 1 1 48 48 GLU N N 15 0.1401 7.1385 . . . . . . . 15486 1 45 . 1 1 49 49 LEU N N 15 0.1440 6.9454 . . . . . . . 15486 1 46 . 1 1 50 50 THR N N 15 0.1298 7.7014 . . . . . . . 15486 1 47 . 1 1 51 51 MET N N 15 0.1264 7.9129 . . . . . . . 15486 1 48 . 1 1 52 52 ASN N N 15 0.1432 6.9835 . . . . . . . 15486 1 49 . 1 1 53 53 LYS N N 15 0.1352 7.3983 . . . . . . . 15486 1 50 . 1 1 54 54 LEU N N 15 0.1650 6.0589 . . . . . . . 15486 1 51 . 1 1 55 55 TYR N N 15 0.1315 7.6033 . . . . . . . 15486 1 52 . 1 1 56 56 ASP N N 15 0.1383 7.2304 . . . . . . . 15486 1 53 . 1 1 57 57 LYS N N 15 0.1731 5.7758 . . . . . . . 15486 1 54 . 1 1 58 58 ILE N N 15 0.1300 7.6933 . . . . . . . 15486 1 55 . 1 1 62 62 VAL N N 15 0.1179 8.4831 . . . . . . . 15486 1 56 . 1 1 63 63 TRP N N 15 0.1171 8.5416 . . . . . . . 15486 1 57 . 1 1 64 64 GLN N N 15 0.1148 8.7104 . . . . . . . 15486 1 58 . 1 1 65 65 HIS N N 15 0.1170 8.5475 . . . . . . . 15486 1 59 . 1 1 66 66 VAL N N 15 0.1357 7.3678 . . . . . . . 15486 1 60 . 1 1 67 67 LYS N N 15 0.0906 11.0369 . . . . . . . 15486 1 61 . 1 1 68 68 HIS N N 15 0.1374 7.2773 . . . . . . . 15486 1 62 . 1 1 69 69 HIS N N 15 0.0988 10.1232 . . . . . . . 15486 1 stop_ save_