data_15465 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15465 _Entry.Title ; SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF PH1500 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-11 _Entry.Accession_date 2007-09-11 _Entry.Last_release_date 2009-10-12 _Entry.Original_release_date 2009-10-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 I. Varnay I. . . 15465 2 V. Truffault V. . . 15465 3 M. Coles M. . . 15465 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' . 15465 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'AAA ATPASE NC-DOMAIN-LIKE' . 15465 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15465 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 345 15465 '15N chemical shifts' 70 15465 '1H chemical shifts' 589 15465 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 . . 2009-10-12 2007-09-11 original author . 15465 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JV2 'BMRB Entry Tracking System' 15465 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15465 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The Solution Structure of Ph1500-N' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 I. Varnay I. . . 15465 1 2 S. Djuranovic S. . . 15465 1 3 V. Truffault V. . . 15465 1 4 A. Lupas A. . . 15465 1 5 H. Kessler H. . . 15465 1 6 M. Coles M. . . 15465 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15465 _Assembly.ID 1 _Assembly.Name Ph1500N _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9456.377 _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 'HYPOTHETICAL PROTEIN PH1500' 1 $HYPOTHETICAL_PROTEIN_PH1500 A . yes native no no . . . 15465 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HYPOTHETICAL_PROTEIN_PH1500 _Entity.Sf_category entity _Entity.Sf_framecode HYPOTHETICAL_PROTEIN_PH1500 _Entity.Entry_ID 15465 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HYPOTHETICAL_PROTEIN_PH1500 _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 ; HHHHHHMEGVIMSELKLKPL PKVELPPDFVDVIRIKLQGK TVRTGDVIGISILGKEVKFK VVQAYPSPLRVEDRTKITLV THP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'N-TERMINAL DOMAIN' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9456.377 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'cis-P66, cis-P68' _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 BMRB 18978 . Ph1500 . . . . . 91.57 147 100.00 100.00 3.75e-44 . . . . 15465 1 2 no PDB 2JV2 . "Solution Structure Of The N-Terminal Domain Of Ph1500" . . . . . 100.00 83 100.00 100.00 1.27e-49 . . . . 15465 1 3 no PDB 2M3X . "Solution Structure Of Ph1500: A Homohexameric Protein Centered On A 12-bladed Beta-propeller" . . . . . 91.57 147 100.00 100.00 3.75e-44 . . . . 15465 1 4 no DBJ BAA30608 . "148aa long hypothetical protein [Pyrococcus horikoshii OT3]" . . . . . 92.77 148 100.00 100.00 4.41e-45 . . . . 15465 1 5 no REF WP_048053406 . "ATPase [Pyrococcus horikoshii]" . . . . . 86.75 143 100.00 100.00 2.11e-41 . . . . 15465 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 . HIS . 15465 1 2 . HIS . 15465 1 3 . HIS . 15465 1 4 . HIS . 15465 1 5 . HIS . 15465 1 6 . HIS . 15465 1 7 . MET . 15465 1 8 . GLU . 15465 1 9 . GLY . 15465 1 10 . VAL . 15465 1 11 . ILE . 15465 1 12 . MET . 15465 1 13 . SER . 15465 1 14 . GLU . 15465 1 15 . LEU . 15465 1 16 . LYS . 15465 1 17 . LEU . 15465 1 18 . LYS . 15465 1 19 . PRO . 15465 1 20 . LEU . 15465 1 21 . PRO . 15465 1 22 . LYS . 15465 1 23 . VAL . 15465 1 24 . GLU . 15465 1 25 . LEU . 15465 1 26 . PRO . 15465 1 27 . PRO . 15465 1 28 . ASP . 15465 1 29 . PHE . 15465 1 30 . VAL . 15465 1 31 . ASP . 15465 1 32 . VAL . 15465 1 33 . ILE . 15465 1 34 . ARG . 15465 1 35 . ILE . 15465 1 36 . LYS . 15465 1 37 . LEU . 15465 1 38 . GLN . 15465 1 39 . GLY . 15465 1 40 . LYS . 15465 1 41 . THR . 15465 1 42 . VAL . 15465 1 43 . ARG . 15465 1 44 . THR . 15465 1 45 . GLY . 15465 1 46 . ASP . 15465 1 47 . VAL . 15465 1 48 . ILE . 15465 1 49 . GLY . 15465 1 50 . ILE . 15465 1 51 . SER . 15465 1 52 . ILE . 15465 1 53 . LEU . 15465 1 54 . GLY . 15465 1 55 . LYS . 15465 1 56 . GLU . 15465 1 57 . VAL . 15465 1 58 . LYS . 15465 1 59 . PHE . 15465 1 60 . LYS . 15465 1 61 . VAL . 15465 1 62 . VAL . 15465 1 63 . GLN . 15465 1 64 . ALA . 15465 1 65 . TYR . 15465 1 66 . PRO . 15465 1 67 . SER . 15465 1 68 . PRO . 15465 1 69 . LEU . 15465 1 70 . ARG . 15465 1 71 . VAL . 15465 1 72 . GLU . 15465 1 73 . ASP . 15465 1 74 . ARG . 15465 1 75 . THR . 15465 1 76 . LYS . 15465 1 77 . ILE . 15465 1 78 . THR . 15465 1 79 . LEU . 15465 1 80 . VAL . 15465 1 81 . THR . 15465 1 82 . HIS . 15465 1 83 . PRO . 15465 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 . HIS 1 1 15465 1 . HIS 2 2 15465 1 . HIS 3 3 15465 1 . HIS 4 4 15465 1 . HIS 5 5 15465 1 . HIS 6 6 15465 1 . MET 7 7 15465 1 . GLU 8 8 15465 1 . GLY 9 9 15465 1 . VAL 10 10 15465 1 . ILE 11 11 15465 1 . MET 12 12 15465 1 . SER 13 13 15465 1 . GLU 14 14 15465 1 . LEU 15 15 15465 1 . LYS 16 16 15465 1 . LEU 17 17 15465 1 . LYS 18 18 15465 1 . PRO 19 19 15465 1 . LEU 20 20 15465 1 . PRO 21 21 15465 1 . LYS 22 22 15465 1 . VAL 23 23 15465 1 . GLU 24 24 15465 1 . LEU 25 25 15465 1 . PRO 26 26 15465 1 . PRO 27 27 15465 1 . ASP 28 28 15465 1 . PHE 29 29 15465 1 . VAL 30 30 15465 1 . ASP 31 31 15465 1 . VAL 32 32 15465 1 . ILE 33 33 15465 1 . ARG 34 34 15465 1 . ILE 35 35 15465 1 . LYS 36 36 15465 1 . LEU 37 37 15465 1 . GLN 38 38 15465 1 . GLY 39 39 15465 1 . LYS 40 40 15465 1 . THR 41 41 15465 1 . VAL 42 42 15465 1 . ARG 43 43 15465 1 . THR 44 44 15465 1 . GLY 45 45 15465 1 . ASP 46 46 15465 1 . VAL 47 47 15465 1 . ILE 48 48 15465 1 . GLY 49 49 15465 1 . ILE 50 50 15465 1 . SER 51 51 15465 1 . ILE 52 52 15465 1 . LEU 53 53 15465 1 . GLY 54 54 15465 1 . LYS 55 55 15465 1 . GLU 56 56 15465 1 . VAL 57 57 15465 1 . LYS 58 58 15465 1 . PHE 59 59 15465 1 . LYS 60 60 15465 1 . VAL 61 61 15465 1 . VAL 62 62 15465 1 . GLN 63 63 15465 1 . ALA 64 64 15465 1 . TYR 65 65 15465 1 . PRO 66 66 15465 1 . SER 67 67 15465 1 . PRO 68 68 15465 1 . LEU 69 69 15465 1 . ARG 70 70 15465 1 . VAL 71 71 15465 1 . GLU 72 72 15465 1 . ASP 73 73 15465 1 . ARG 74 74 15465 1 . THR 75 75 15465 1 . LYS 76 76 15465 1 . ILE 77 77 15465 1 . THR 78 78 15465 1 . LEU 79 79 15465 1 . VAL 80 80 15465 1 . THR 81 81 15465 1 . HIS 82 82 15465 1 . PRO 83 83 15465 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 15465 _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 $HYPOTHETICAL_PROTEIN_PH1500 . 53953 organism . 'PYROCOCCUS HORIKOSHII' 'Pyrococcus horikoshii' . . Archaea . PYROCOCCUS HORIKOSHII . . . . . . . . . . . . . . . . PH1500 . . . . 15465 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 15465 _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 $HYPOTHETICAL_PROTEIN_PH1500 . 'recombinant technology' 'ESCHERICHIA COLI' BACTERIA . . ESCHERICHIA COLI . . . . . . . . . . . . . PLASMID . . pET30b . . . . . . 15465 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15465 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HYPOTHETICAL PROTEIN PH1500' 'natural abundance' . . 1 $HYPOTHETICAL_PROTEIN_PH1500 . . 1 . . mM . . . . 15465 1 2 'PHOSPHATE BUFFER' 'natural abundance' . . . . . . 50 . . mM . . . . 15465 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15465 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15465 1 5 D2O . . . . . . . 10 . . % . . . . 15465 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15465 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HYPOTHETICAL PROTEIN PH1500' '[U-100% 15N]' . . 1 $HYPOTHETICAL_PROTEIN_PH1500 . . 1 . . mM . . . . 15465 2 2 'PHOSPHATE BUFFER' 'natural abundance' . . . . . . 50 . . mM . . . . 15465 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15465 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15465 2 5 D2O . . . . . . . 10 . . % . . . . 15465 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15465 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HYPOTHETICAL PROTEIN PH1500' '[U-100% 13C; U-100% 15N]' . . 1 $HYPOTHETICAL_PROTEIN_PH1500 . . 1 . . mM . . . . 15465 3 2 'PHOSPHATE BUFFER' 'natural abundance' . . . . . . 50 . . mM . . . . 15465 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15465 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15465 3 5 D2O . . . . . . . 10 . . % . . . . 15465 3 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 15465 _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' 50 . mM 15465 1 pH 7.0 . pH 15465 1 pressure 1 . atm 15465 1 temperature 300 . K 15465 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH-2.9.4A _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH-2.9.4A _Software.Entry_ID 15465 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version NIH-2.9.4A _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'BRUNGER, A' . . 15465 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15465 1 'structure solution' 15465 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 15465 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15465 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15465 2 processing 15465 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15465 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15465 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15465 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 15465 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DMX _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 15465 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_900 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 900 _NMR_spectrometer_list.Entry_ID 15465 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 BRUKER DMX . 600 . . . 15465 1 2 spectrometer_2 BRUKER DMX . 900 . . . 15465 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 15465 _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 NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15465 1 2 '3D_15N-SEPARATED_ NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15465 1 3 HNHA no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15465 1 4 HNHB no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15465 1 5 CNH-NOESY no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15465 1 6 3D_13C-SEPARATED_NOESY no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15465 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15465 1 8 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15465 1 9 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15465 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15465 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 15465 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15465 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15465 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15465 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 15465 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 NOESY' . . . 15465 1 7 '3D CBCA(CO)NH' . . . 15465 1 9 '3D HNCO' . . . 15465 1 10 '3D HCCH-TOCSY' . . . 15465 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 3 $SPARKY . . 15465 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 9 9 GLY H H 1 8.39 0.02 . 1 . . . . 9 GLY H . 15465 1 2 . 1 1 9 9 GLY HA2 H 1 3.90 0.02 . 2 . . . . 9 GLY HA2 . 15465 1 3 . 1 1 9 9 GLY HA3 H 1 3.86 0.02 . 2 . . . . 9 GLY HA3 . 15465 1 4 . 1 1 9 9 GLY CA C 13 45.15 0.05 . 1 . . . . 9 GLY CA . 15465 1 5 . 1 1 9 9 GLY N N 15 110.00 0.05 . 1 . . . . 9 GLY N . 15465 1 6 . 1 1 10 10 VAL H H 1 7.87 0.02 . 1 . . . . 10 VAL H . 15465 1 7 . 1 1 10 10 VAL HA H 1 4.04 0.02 . 1 . . . . 10 VAL HA . 15465 1 8 . 1 1 10 10 VAL HB H 1 1.95 0.02 . 1 . . . . 10 VAL HB . 15465 1 9 . 1 1 10 10 VAL HG11 H 1 0.81 0.02 . 1 . . . . 10 VAL HG1 . 15465 1 10 . 1 1 10 10 VAL HG12 H 1 0.81 0.02 . 1 . . . . 10 VAL HG1 . 15465 1 11 . 1 1 10 10 VAL HG13 H 1 0.81 0.02 . 1 . . . . 10 VAL HG1 . 15465 1 12 . 1 1 10 10 VAL HG21 H 1 0.81 0.02 . 1 . . . . 10 VAL HG2 . 15465 1 13 . 1 1 10 10 VAL HG22 H 1 0.81 0.02 . 1 . . . . 10 VAL HG2 . 15465 1 14 . 1 1 10 10 VAL HG23 H 1 0.81 0.02 . 1 . . . . 10 VAL HG2 . 15465 1 15 . 1 1 10 10 VAL C C 13 175.88 0.05 . 1 . . . . 10 VAL C . 15465 1 16 . 1 1 10 10 VAL CA C 13 62.11 0.05 . 1 . . . . 10 VAL CA . 15465 1 17 . 1 1 10 10 VAL CB C 13 32.76 0.05 . 1 . . . . 10 VAL CB . 15465 1 18 . 1 1 10 10 VAL CG1 C 13 20.72 0.05 . 1 . . . . 10 VAL CG1 . 15465 1 19 . 1 1 10 10 VAL CG2 C 13 20.72 0.05 . 1 . . . . 10 VAL CG2 . 15465 1 20 . 1 1 10 10 VAL N N 15 119.73 0.05 . 1 . . . . 10 VAL N . 15465 1 21 . 1 1 11 11 ILE H H 1 8.23 0.02 . 1 . . . . 11 ILE H . 15465 1 22 . 1 1 11 11 ILE HA H 1 4.09 0.02 . 1 . . . . 11 ILE HA . 15465 1 23 . 1 1 11 11 ILE HB H 1 1.75 0.02 . 1 . . . . 11 ILE HB . 15465 1 24 . 1 1 11 11 ILE HD11 H 1 0.71 0.02 . 1 . . . . 11 ILE HD1 . 15465 1 25 . 1 1 11 11 ILE HD12 H 1 0.71 0.02 . 1 . . . . 11 ILE HD1 . 15465 1 26 . 1 1 11 11 ILE HD13 H 1 0.71 0.02 . 1 . . . . 11 ILE HD1 . 15465 1 27 . 1 1 11 11 ILE HG12 H 1 1.39 0.02 . 2 . . . . 11 ILE HG12 . 15465 1 28 . 1 1 11 11 ILE HG13 H 1 1.07 0.02 . 2 . . . . 11 ILE HG13 . 15465 1 29 . 1 1 11 11 ILE HG21 H 1 0.77 0.02 . 1 . . . . 11 ILE HG2 . 15465 1 30 . 1 1 11 11 ILE HG22 H 1 0.77 0.02 . 1 . . . . 11 ILE HG2 . 15465 1 31 . 1 1 11 11 ILE HG23 H 1 0.77 0.02 . 1 . . . . 11 ILE HG2 . 15465 1 32 . 1 1 11 11 ILE C C 13 175.85 0.05 . 1 . . . . 11 ILE C . 15465 1 33 . 1 1 11 11 ILE CA C 13 60.80 0.05 . 1 . . . . 11 ILE CA . 15465 1 34 . 1 1 11 11 ILE CB C 13 38.47 0.05 . 1 . . . . 11 ILE CB . 15465 1 35 . 1 1 11 11 ILE CD1 C 13 12.54 0.05 . 1 . . . . 11 ILE CD1 . 15465 1 36 . 1 1 11 11 ILE CG1 C 13 27.13 0.05 . 1 . . . . 11 ILE CG1 . 15465 1 37 . 1 1 11 11 ILE CG2 C 13 17.41 0.05 . 1 . . . . 11 ILE CG2 . 15465 1 38 . 1 1 11 11 ILE N N 15 125.57 0.05 . 1 . . . . 11 ILE N . 15465 1 39 . 1 1 12 12 MET H H 1 8.37 0.02 . 1 . . . . 12 MET H . 15465 1 40 . 1 1 12 12 MET HA H 1 4.54 0.02 . 1 . . . . 12 MET HA . 15465 1 41 . 1 1 12 12 MET HB2 H 1 2.03 0.02 . 1 . . . . 12 MET HB2 . 15465 1 42 . 1 1 12 12 MET HB3 H 1 1.95 0.02 . 1 . . . . 12 MET HB3 . 15465 1 43 . 1 1 12 12 MET HE1 H 1 2.00 0.02 . 1 . . . . 12 MET HE . 15465 1 44 . 1 1 12 12 MET HE2 H 1 2.00 0.02 . 1 . . . . 12 MET HE . 15465 1 45 . 1 1 12 12 MET HE3 H 1 2.00 0.02 . 1 . . . . 12 MET HE . 15465 1 46 . 1 1 12 12 MET HG2 H 1 2.54 0.02 . 2 . . . . 12 MET HG2 . 15465 1 47 . 1 1 12 12 MET HG3 H 1 2.45 0.02 . 2 . . . . 12 MET HG3 . 15465 1 48 . 1 1 12 12 MET C C 13 174.83 0.05 . 1 . . . . 12 MET C . 15465 1 49 . 1 1 12 12 MET CA C 13 54.79 0.05 . 1 . . . . 12 MET CA . 15465 1 50 . 1 1 12 12 MET CB C 13 32.64 0.05 . 1 . . . . 12 MET CB . 15465 1 51 . 1 1 12 12 MET CE C 13 16.91 0.05 . 1 . . . . 12 MET CE . 15465 1 52 . 1 1 12 12 MET CG C 13 31.92 0.05 . 1 . . . . 12 MET CG . 15465 1 53 . 1 1 12 12 MET N N 15 125.93 0.05 . 1 . . . . 12 MET N . 15465 1 54 . 1 1 13 13 SER H H 1 7.99 0.02 . 1 . . . . 13 SER H . 15465 1 55 . 1 1 13 13 SER HA H 1 5.03 0.02 . 1 . . . . 13 SER HA . 15465 1 56 . 1 1 13 13 SER HB2 H 1 3.97 0.02 . 1 . . . . 13 SER HB2 . 15465 1 57 . 1 1 13 13 SER HB3 H 1 3.85 0.02 . 1 . . . . 13 SER HB3 . 15465 1 58 . 1 1 13 13 SER C C 13 174.33 0.05 . 1 . . . . 13 SER C . 15465 1 59 . 1 1 13 13 SER CA C 13 57.32 0.05 . 1 . . . . 13 SER CA . 15465 1 60 . 1 1 13 13 SER CB C 13 64.79 0.05 . 1 . . . . 13 SER CB . 15465 1 61 . 1 1 13 13 SER N N 15 116.40 0.05 . 1 . . . . 13 SER N . 15465 1 62 . 1 1 14 14 GLU H H 1 9.43 0.02 . 1 . . . . 14 GLU H . 15465 1 63 . 1 1 14 14 GLU HA H 1 5.25 0.02 . 1 . . . . 14 GLU HA . 15465 1 64 . 1 1 14 14 GLU HB2 H 1 1.93 0.02 . 1 . . . . 14 GLU HB2 . 15465 1 65 . 1 1 14 14 GLU HB3 H 1 1.93 0.02 . 1 . . . . 14 GLU HB3 . 15465 1 66 . 1 1 14 14 GLU HG2 H 1 2.09 0.02 . 2 . . . . 14 GLU HG2 . 15465 1 67 . 1 1 14 14 GLU HG3 H 1 1.98 0.02 . 2 . . . . 14 GLU HG3 . 15465 1 68 . 1 1 14 14 GLU C C 13 172.98 0.05 . 1 . . . . 14 GLU C . 15465 1 69 . 1 1 14 14 GLU CA C 13 55.39 0.05 . 1 . . . . 14 GLU CA . 15465 1 70 . 1 1 14 14 GLU CB C 13 33.91 0.05 . 1 . . . . 14 GLU CB . 15465 1 71 . 1 1 14 14 GLU CG C 13 36.23 0.05 . 1 . . . . 14 GLU CG . 15465 1 72 . 1 1 14 14 GLU N N 15 123.67 0.05 . 1 . . . . 14 GLU N . 15465 1 73 . 1 1 15 15 LEU H H 1 8.93 0.02 . 1 . . . . 15 LEU H . 15465 1 74 . 1 1 15 15 LEU HA H 1 4.87 0.02 . 1 . . . . 15 LEU HA . 15465 1 75 . 1 1 15 15 LEU HB2 H 1 1.58 0.02 . 1 . . . . 15 LEU HB2 . 15465 1 76 . 1 1 15 15 LEU HB3 H 1 1.23 0.02 . 1 . . . . 15 LEU HB3 . 15465 1 77 . 1 1 15 15 LEU HD11 H 1 0.70 0.02 . 2 . . . . 15 LEU HD1 . 15465 1 78 . 1 1 15 15 LEU HD12 H 1 0.70 0.02 . 2 . . . . 15 LEU HD1 . 15465 1 79 . 1 1 15 15 LEU HD13 H 1 0.70 0.02 . 2 . . . . 15 LEU HD1 . 15465 1 80 . 1 1 15 15 LEU HD21 H 1 0.80 0.02 . 2 . . . . 15 LEU HD2 . 15465 1 81 . 1 1 15 15 LEU HD22 H 1 0.80 0.02 . 2 . . . . 15 LEU HD2 . 15465 1 82 . 1 1 15 15 LEU HD23 H 1 0.80 0.02 . 2 . . . . 15 LEU HD2 . 15465 1 83 . 1 1 15 15 LEU HG H 1 1.34 0.02 . 1 . . . . 15 LEU HG . 15465 1 84 . 1 1 15 15 LEU C C 13 174.00 0.05 . 1 . . . . 15 LEU C . 15465 1 85 . 1 1 15 15 LEU CA C 13 53.02 0.05 . 1 . . . . 15 LEU CA . 15465 1 86 . 1 1 15 15 LEU CB C 13 46.04 0.05 . 1 . . . . 15 LEU CB . 15465 1 87 . 1 1 15 15 LEU CD1 C 13 26.20 0.05 . 2 . . . . 15 LEU CD1 . 15465 1 88 . 1 1 15 15 LEU CD2 C 13 26.14 0.05 . 2 . . . . 15 LEU CD2 . 15465 1 89 . 1 1 15 15 LEU CG C 13 26.50 0.05 . 1 . . . . 15 LEU CG . 15465 1 90 . 1 1 15 15 LEU N N 15 125.35 0.05 . 1 . . . . 15 LEU N . 15465 1 91 . 1 1 16 16 LYS H H 1 8.84 0.02 . 1 . . . . 16 LYS H . 15465 1 92 . 1 1 16 16 LYS HA H 1 5.36 0.02 . 1 . . . . 16 LYS HA . 15465 1 93 . 1 1 16 16 LYS HB2 H 1 1.73 0.02 . 1 . . . . 16 LYS HB2 . 15465 1 94 . 1 1 16 16 LYS HB3 H 1 1.49 0.02 . 1 . . . . 16 LYS HB3 . 15465 1 95 . 1 1 16 16 LYS HD2 H 1 1.55 0.02 . 1 . . . . 16 LYS HD2 . 15465 1 96 . 1 1 16 16 LYS HD3 H 1 1.55 0.02 . 1 . . . . 16 LYS HD3 . 15465 1 97 . 1 1 16 16 LYS HE2 H 1 2.77 0.02 . 1 . . . . 16 LYS HE2 . 15465 1 98 . 1 1 16 16 LYS HE3 H 1 2.77 0.02 . 1 . . . . 16 LYS HE3 . 15465 1 99 . 1 1 16 16 LYS HG2 H 1 1.36 0.02 . 2 . . . . 16 LYS HG2 . 15465 1 100 . 1 1 16 16 LYS HG3 H 1 1.13 0.02 . 2 . . . . 16 LYS HG3 . 15465 1 101 . 1 1 16 16 LYS C C 13 175.66 0.05 . 1 . . . . 16 LYS C . 15465 1 102 . 1 1 16 16 LYS CA C 13 54.94 0.05 . 1 . . . . 16 LYS CA . 15465 1 103 . 1 1 16 16 LYS CB C 13 34.28 0.05 . 1 . . . . 16 LYS CB . 15465 1 104 . 1 1 16 16 LYS CD C 13 29.47 0.05 . 1 . . . . 16 LYS CD . 15465 1 105 . 1 1 16 16 LYS CE C 13 42.06 0.05 . 1 . . . . 16 LYS CE . 15465 1 106 . 1 1 16 16 LYS CG C 13 25.44 0.05 . 1 . . . . 16 LYS CG . 15465 1 107 . 1 1 16 16 LYS N N 15 124.64 0.05 . 1 . . . . 16 LYS N . 15465 1 108 . 1 1 17 17 LEU H H 1 8.82 0.02 . 1 . . . . 17 LEU H . 15465 1 109 . 1 1 17 17 LEU HA H 1 5.43 0.02 . 1 . . . . 17 LEU HA . 15465 1 110 . 1 1 17 17 LEU HB2 H 1 1.66 0.02 . 1 . . . . 17 LEU HB2 . 15465 1 111 . 1 1 17 17 LEU HB3 H 1 1.29 0.02 . 1 . . . . 17 LEU HB3 . 15465 1 112 . 1 1 17 17 LEU HD11 H 1 0.38 0.02 . 1 . . . . 17 LEU HD1 . 15465 1 113 . 1 1 17 17 LEU HD12 H 1 0.38 0.02 . 1 . . . . 17 LEU HD1 . 15465 1 114 . 1 1 17 17 LEU HD13 H 1 0.38 0.02 . 1 . . . . 17 LEU HD1 . 15465 1 115 . 1 1 17 17 LEU HD21 H 1 0.66 0.02 . 1 . . . . 17 LEU HD2 . 15465 1 116 . 1 1 17 17 LEU HD22 H 1 0.66 0.02 . 1 . . . . 17 LEU HD2 . 15465 1 117 . 1 1 17 17 LEU HD23 H 1 0.66 0.02 . 1 . . . . 17 LEU HD2 . 15465 1 118 . 1 1 17 17 LEU HG H 1 1.44 0.02 . 1 . . . . 17 LEU HG . 15465 1 119 . 1 1 17 17 LEU C C 13 174.63 0.05 . 1 . . . . 17 LEU C . 15465 1 120 . 1 1 17 17 LEU CA C 13 52.90 0.05 . 1 . . . . 17 LEU CA . 15465 1 121 . 1 1 17 17 LEU CB C 13 46.91 0.05 . 1 . . . . 17 LEU CB . 15465 1 122 . 1 1 17 17 LEU CD1 C 13 26.20 0.05 . 1 . . . . 17 LEU CD1 . 15465 1 123 . 1 1 17 17 LEU CD2 C 13 25.33 0.05 . 1 . . . . 17 LEU CD2 . 15465 1 124 . 1 1 17 17 LEU CG C 13 26.55 0.05 . 1 . . . . 17 LEU CG . 15465 1 125 . 1 1 17 17 LEU N N 15 123.46 0.05 . 1 . . . . 17 LEU N . 15465 1 126 . 1 1 18 18 LYS H H 1 9.11 0.02 . 1 . . . . 18 LYS H . 15465 1 127 . 1 1 18 18 LYS HA H 1 5.49 0.02 . 1 . . . . 18 LYS HA . 15465 1 128 . 1 1 18 18 LYS HB2 H 1 1.57 0.02 . 1 . . . . 18 LYS HB2 . 15465 1 129 . 1 1 18 18 LYS HB3 H 1 1.75 0.02 . 1 . . . . 18 LYS HB3 . 15465 1 130 . 1 1 18 18 LYS HD2 H 1 1.49 0.02 . 1 . . . . 18 LYS HD2 . 15465 1 131 . 1 1 18 18 LYS HD3 H 1 1.49 0.02 . 1 . . . . 18 LYS HD3 . 15465 1 132 . 1 1 18 18 LYS HE2 H 1 2.76 0.02 . 1 . . . . 18 LYS HE2 . 15465 1 133 . 1 1 18 18 LYS HE3 H 1 2.76 0.02 . 1 . . . . 18 LYS HE3 . 15465 1 134 . 1 1 18 18 LYS HG2 H 1 1.39 0.02 . 2 . . . . 18 LYS HG2 . 15465 1 135 . 1 1 18 18 LYS HG3 H 1 1.32 0.02 . 2 . . . . 18 LYS HG3 . 15465 1 136 . 1 1 18 18 LYS CA C 13 52.27 0.05 . 1 . . . . 18 LYS CA . 15465 1 137 . 1 1 18 18 LYS CB C 13 37.50 0.05 . 1 . . . . 18 LYS CB . 15465 1 138 . 1 1 18 18 LYS CD C 13 29.66 0.05 . 1 . . . . 18 LYS CD . 15465 1 139 . 1 1 18 18 LYS CE C 13 42.06 0.05 . 1 . . . . 18 LYS CE . 15465 1 140 . 1 1 18 18 LYS CG C 13 24.04 0.05 . 1 . . . . 18 LYS CG . 15465 1 141 . 1 1 18 18 LYS N N 15 122.23 0.05 . 1 . . . . 18 LYS N . 15465 1 142 . 1 1 19 19 PRO HA H 1 4.10 0.02 . 1 . . . . 19 PRO HA . 15465 1 143 . 1 1 19 19 PRO HB2 H 1 1.96 0.02 . 1 . . . . 19 PRO HB2 . 15465 1 144 . 1 1 19 19 PRO HB3 H 1 1.96 0.02 . 1 . . . . 19 PRO HB3 . 15465 1 145 . 1 1 19 19 PRO HD2 H 1 4.07 0.02 . 2 . . . . 19 PRO HD2 . 15465 1 146 . 1 1 19 19 PRO HD3 H 1 3.76 0.02 . 2 . . . . 19 PRO HD3 . 15465 1 147 . 1 1 19 19 PRO HG2 H 1 2.25 0.02 . 2 . . . . 19 PRO HG2 . 15465 1 148 . 1 1 19 19 PRO HG3 H 1 1.87 0.02 . 2 . . . . 19 PRO HG3 . 15465 1 149 . 1 1 19 19 PRO CA C 13 62.44 0.05 . 1 . . . . 19 PRO CA . 15465 1 150 . 1 1 19 19 PRO CB C 13 30.64 0.05 . 1 . . . . 19 PRO CB . 15465 1 151 . 1 1 19 19 PRO CD C 13 51.09 0.05 . 1 . . . . 19 PRO CD . 15465 1 152 . 1 1 19 19 PRO CG C 13 27.31 0.05 . 1 . . . . 19 PRO CG . 15465 1 153 . 1 1 20 20 LEU H H 1 8.49 0.02 . 1 . . . . 20 LEU H . 15465 1 154 . 1 1 20 20 LEU HA H 1 4.32 0.02 . 1 . . . . 20 LEU HA . 15465 1 155 . 1 1 20 20 LEU HB2 H 1 1.60 0.02 . 1 . . . . 20 LEU HB2 . 15465 1 156 . 1 1 20 20 LEU HB3 H 1 1.46 0.02 . 1 . . . . 20 LEU HB3 . 15465 1 157 . 1 1 20 20 LEU HD11 H 1 0.78 0.02 . 1 . . . . 20 LEU HD1 . 15465 1 158 . 1 1 20 20 LEU HD12 H 1 0.78 0.02 . 1 . . . . 20 LEU HD1 . 15465 1 159 . 1 1 20 20 LEU HD13 H 1 0.78 0.02 . 1 . . . . 20 LEU HD1 . 15465 1 160 . 1 1 20 20 LEU HD21 H 1 0.78 0.02 . 1 . . . . 20 LEU HD2 . 15465 1 161 . 1 1 20 20 LEU HD22 H 1 0.78 0.02 . 1 . . . . 20 LEU HD2 . 15465 1 162 . 1 1 20 20 LEU HD23 H 1 0.78 0.02 . 1 . . . . 20 LEU HD2 . 15465 1 163 . 1 1 20 20 LEU HG H 1 1.51 0.02 . 1 . . . . 20 LEU HG . 15465 1 164 . 1 1 20 20 LEU CA C 13 57.68 0.05 . 1 . . . . 20 LEU CA . 15465 1 165 . 1 1 20 20 LEU CB C 13 38.76 0.05 . 1 . . . . 20 LEU CB . 15465 1 166 . 1 1 20 20 LEU CD1 C 13 25.46 0.05 . 1 . . . . 20 LEU CD1 . 15465 1 167 . 1 1 20 20 LEU CD2 C 13 23.38 0.05 . 1 . . . . 20 LEU CD2 . 15465 1 168 . 1 1 20 20 LEU CG C 13 28.46 0.05 . 1 . . . . 20 LEU CG . 15465 1 169 . 1 1 20 20 LEU N N 15 123.25 0.05 . 1 . . . . 20 LEU N . 15465 1 170 . 1 1 21 21 PRO HA H 1 4.53 0.02 . 1 . . . . 21 PRO HA . 15465 1 171 . 1 1 21 21 PRO HB2 H 1 1.70 0.02 . 1 . . . . 21 PRO HB2 . 15465 1 172 . 1 1 21 21 PRO HB3 H 1 1.70 0.02 . 1 . . . . 21 PRO HB3 . 15465 1 173 . 1 1 21 21 PRO HD2 H 1 3.50 0.02 . 1 . . . . 21 PRO HD2 . 15465 1 174 . 1 1 21 21 PRO HD3 H 1 3.64 0.02 . 1 . . . . 21 PRO HD3 . 15465 1 175 . 1 1 21 21 PRO HG2 H 1 2.07 0.02 . 2 . . . . 21 PRO HG2 . 15465 1 176 . 1 1 21 21 PRO HG3 H 1 1.72 0.02 . 2 . . . . 21 PRO HG3 . 15465 1 177 . 1 1 21 21 PRO CA C 13 62.88 0.05 . 1 . . . . 21 PRO CA . 15465 1 178 . 1 1 21 21 PRO CB C 13 31.42 0.05 . 1 . . . . 21 PRO CB . 15465 1 179 . 1 1 21 21 PRO CD C 13 49.45 0.05 . 1 . . . . 21 PRO CD . 15465 1 180 . 1 1 21 21 PRO CG C 13 27.45 0.05 . 1 . . . . 21 PRO CG . 15465 1 181 . 1 1 22 22 LYS H H 1 8.18 0.02 . 1 . . . . 22 LYS H . 15465 1 182 . 1 1 22 22 LYS HA H 1 4.11 0.02 . 1 . . . . 22 LYS HA . 15465 1 183 . 1 1 22 22 LYS HB2 H 1 1.71 0.02 . 2 . . . . 22 LYS HB2 . 15465 1 184 . 1 1 22 22 LYS HB3 H 1 1.62 0.02 . 2 . . . . 22 LYS HB3 . 15465 1 185 . 1 1 22 22 LYS HD2 H 1 1.61 0.02 . 1 . . . . 22 LYS HD2 . 15465 1 186 . 1 1 22 22 LYS HD3 H 1 1.61 0.02 . 1 . . . . 22 LYS HD3 . 15465 1 187 . 1 1 22 22 LYS HE2 H 1 2.90 0.02 . 1 . . . . 22 LYS HE2 . 15465 1 188 . 1 1 22 22 LYS HE3 H 1 2.90 0.02 . 1 . . . . 22 LYS HE3 . 15465 1 189 . 1 1 22 22 LYS HG2 H 1 1.30 0.02 . 2 . . . . 22 LYS HG2 . 15465 1 190 . 1 1 22 22 LYS HG3 H 1 1.18 0.02 . 2 . . . . 22 LYS HG3 . 15465 1 191 . 1 1 22 22 LYS C C 13 175.68 0.05 . 1 . . . . 22 LYS C . 15465 1 192 . 1 1 22 22 LYS CA C 13 56.21 0.05 . 1 . . . . 22 LYS CA . 15465 1 193 . 1 1 22 22 LYS CB C 13 30.66 0.05 . 1 . . . . 22 LYS CB . 15465 1 194 . 1 1 22 22 LYS CD C 13 28.92 0.05 . 1 . . . . 22 LYS CD . 15465 1 195 . 1 1 22 22 LYS CE C 13 42.05 0.05 . 1 . . . . 22 LYS CE . 15465 1 196 . 1 1 22 22 LYS CG C 13 24.71 0.05 . 1 . . . . 22 LYS CG . 15465 1 197 . 1 1 22 22 LYS N N 15 119.16 0.05 . 1 . . . . 22 LYS N . 15465 1 198 . 1 1 23 23 VAL H H 1 7.53 0.02 . 1 . . . . 23 VAL H . 15465 1 199 . 1 1 23 23 VAL HA H 1 4.28 0.02 . 1 . . . . 23 VAL HA . 15465 1 200 . 1 1 23 23 VAL HB H 1 1.86 0.02 . 1 . . . . 23 VAL HB . 15465 1 201 . 1 1 23 23 VAL HG11 H 1 0.67 0.02 . 1 . . . . 23 VAL HG1 . 15465 1 202 . 1 1 23 23 VAL HG12 H 1 0.67 0.02 . 1 . . . . 23 VAL HG1 . 15465 1 203 . 1 1 23 23 VAL HG13 H 1 0.67 0.02 . 1 . . . . 23 VAL HG1 . 15465 1 204 . 1 1 23 23 VAL HG21 H 1 0.67 0.02 . 1 . . . . 23 VAL HG2 . 15465 1 205 . 1 1 23 23 VAL HG22 H 1 0.67 0.02 . 1 . . . . 23 VAL HG2 . 15465 1 206 . 1 1 23 23 VAL HG23 H 1 0.67 0.02 . 1 . . . . 23 VAL HG2 . 15465 1 207 . 1 1 23 23 VAL C C 13 173.69 0.05 . 1 . . . . 23 VAL C . 15465 1 208 . 1 1 23 23 VAL CA C 13 59.83 0.05 . 1 . . . . 23 VAL CA . 15465 1 209 . 1 1 23 23 VAL CB C 13 34.55 0.05 . 1 . . . . 23 VAL CB . 15465 1 210 . 1 1 23 23 VAL CG1 C 13 20.11 0.05 . 1 . . . . 23 VAL CG1 . 15465 1 211 . 1 1 23 23 VAL CG2 C 13 20.11 0.05 . 1 . . . . 23 VAL CG2 . 15465 1 212 . 1 1 23 23 VAL N N 15 121.82 0.05 . 1 . . . . 23 VAL N . 15465 1 213 . 1 1 24 24 GLU H H 1 8.27 0.02 . 1 . . . . 24 GLU H . 15465 1 214 . 1 1 24 24 GLU HA H 1 4.33 0.02 . 1 . . . . 24 GLU HA . 15465 1 215 . 1 1 24 24 GLU HB2 H 1 1.83 0.02 . 2 . . . . 24 GLU HB2 . 15465 1 216 . 1 1 24 24 GLU HB3 H 1 1.78 0.02 . 2 . . . . 24 GLU HB3 . 15465 1 217 . 1 1 24 24 GLU HG2 H 1 2.14 0.02 . 2 . . . . 24 GLU HG2 . 15465 1 218 . 1 1 24 24 GLU HG3 H 1 2.07 0.02 . 2 . . . . 24 GLU HG3 . 15465 1 219 . 1 1 24 24 GLU C C 13 175.39 0.05 . 1 . . . . 24 GLU C . 15465 1 220 . 1 1 24 24 GLU CA C 13 55.22 0.05 . 1 . . . . 24 GLU CA . 15465 1 221 . 1 1 24 24 GLU CB C 13 29.97 0.05 . 1 . . . . 24 GLU CB . 15465 1 222 . 1 1 24 24 GLU CG C 13 36.07 0.05 . 1 . . . . 24 GLU CG . 15465 1 223 . 1 1 24 24 GLU N N 15 125.61 0.05 . 1 . . . . 24 GLU N . 15465 1 224 . 1 1 25 25 LEU H H 1 8.48 0.02 . 1 . . . . 25 LEU H . 15465 1 225 . 1 1 25 25 LEU HA H 1 4.52 0.02 . 1 . . . . 25 LEU HA . 15465 1 226 . 1 1 25 25 LEU HB2 H 1 1.54 0.02 . 1 . . . . 25 LEU HB2 . 15465 1 227 . 1 1 25 25 LEU HB3 H 1 1.05 0.02 . 1 . . . . 25 LEU HB3 . 15465 1 228 . 1 1 25 25 LEU HD11 H 1 0.69 0.02 . 1 . . . . 25 LEU HD1 . 15465 1 229 . 1 1 25 25 LEU HD12 H 1 0.69 0.02 . 1 . . . . 25 LEU HD1 . 15465 1 230 . 1 1 25 25 LEU HD13 H 1 0.69 0.02 . 1 . . . . 25 LEU HD1 . 15465 1 231 . 1 1 25 25 LEU HD21 H 1 0.48 0.02 . 1 . . . . 25 LEU HD2 . 15465 1 232 . 1 1 25 25 LEU HD22 H 1 0.48 0.02 . 1 . . . . 25 LEU HD2 . 15465 1 233 . 1 1 25 25 LEU HD23 H 1 0.48 0.02 . 1 . . . . 25 LEU HD2 . 15465 1 234 . 1 1 25 25 LEU HG H 1 1.47 0.02 . 1 . . . . 25 LEU HG . 15465 1 235 . 1 1 25 25 LEU CA C 13 51.66 0.05 . 1 . . . . 25 LEU CA . 15465 1 236 . 1 1 25 25 LEU CB C 13 41.75 0.05 . 1 . . . . 25 LEU CB . 15465 1 237 . 1 1 25 25 LEU CD1 C 13 25.84 0.05 . 1 . . . . 25 LEU CD1 . 15465 1 238 . 1 1 25 25 LEU CD2 C 13 23.10 0.05 . 1 . . . . 25 LEU CD2 . 15465 1 239 . 1 1 25 25 LEU CG C 13 26.17 0.05 . 1 . . . . 25 LEU CG . 15465 1 240 . 1 1 25 25 LEU N N 15 125.88 0.05 . 1 . . . . 25 LEU N . 15465 1 241 . 1 1 26 26 PRO HA H 1 4.76 0.02 . 1 . . . . 26 PRO HA . 15465 1 242 . 1 1 26 26 PRO HB2 H 1 2.09 0.02 . 1 . . . . 26 PRO HB2 . 15465 1 243 . 1 1 26 26 PRO HB3 H 1 2.41 0.02 . 1 . . . . 26 PRO HB3 . 15465 1 244 . 1 1 26 26 PRO HD2 H 1 3.69 0.02 . 2 . . . . 26 PRO HD2 . 15465 1 245 . 1 1 26 26 PRO HD3 H 1 3.17 0.02 . 2 . . . . 26 PRO HD3 . 15465 1 246 . 1 1 26 26 PRO HG2 H 1 2.07 0.02 . 2 . . . . 26 PRO HG2 . 15465 1 247 . 1 1 26 26 PRO HG3 H 1 1.95 0.02 . 2 . . . . 26 PRO HG3 . 15465 1 248 . 1 1 26 26 PRO CA C 13 61.33 0.05 . 1 . . . . 26 PRO CA . 15465 1 249 . 1 1 26 26 PRO CB C 13 31.06 0.05 . 1 . . . . 26 PRO CB . 15465 1 250 . 1 1 26 26 PRO CD C 13 50.10 0.05 . 1 . . . . 26 PRO CD . 15465 1 251 . 1 1 26 26 PRO CG C 13 27.30 0.05 . 1 . . . . 26 PRO CG . 15465 1 252 . 1 1 27 27 PRO HA H 1 4.39 0.02 . 1 . . . . 27 PRO HA . 15465 1 253 . 1 1 27 27 PRO HB2 H 1 1.97 0.02 . 1 . . . . 27 PRO HB2 . 15465 1 254 . 1 1 27 27 PRO HB3 H 1 2.38 0.02 . 1 . . . . 27 PRO HB3 . 15465 1 255 . 1 1 27 27 PRO HD2 H 1 3.82 0.02 . 2 . . . . 27 PRO HD2 . 15465 1 256 . 1 1 27 27 PRO HD3 H 1 3.72 0.02 . 2 . . . . 27 PRO HD3 . 15465 1 257 . 1 1 27 27 PRO HG2 H 1 2.07 0.02 . 1 . . . . 27 PRO HG2 . 15465 1 258 . 1 1 27 27 PRO HG3 H 1 2.07 0.02 . 1 . . . . 27 PRO HG3 . 15465 1 259 . 1 1 27 27 PRO CA C 13 64.55 0.05 . 1 . . . . 27 PRO CA . 15465 1 260 . 1 1 27 27 PRO CB C 13 31.77 0.05 . 1 . . . . 27 PRO CB . 15465 1 261 . 1 1 27 27 PRO CD C 13 50.35 0.05 . 1 . . . . 27 PRO CD . 15465 1 262 . 1 1 27 27 PRO CG C 13 27.46 0.05 . 1 . . . . 27 PRO CG . 15465 1 263 . 1 1 28 28 ASP H H 1 8.56 0.02 . 1 . . . . 28 ASP H . 15465 1 264 . 1 1 28 28 ASP HA H 1 4.62 0.02 . 1 . . . . 28 ASP HA . 15465 1 265 . 1 1 28 28 ASP HB2 H 1 2.89 0.02 . 1 . . . . 28 ASP HB2 . 15465 1 266 . 1 1 28 28 ASP HB3 H 1 2.69 0.02 . 1 . . . . 28 ASP HB3 . 15465 1 267 . 1 1 28 28 ASP C C 13 177.10 0.05 . 1 . . . . 28 ASP C . 15465 1 268 . 1 1 28 28 ASP CA C 13 53.89 0.05 . 1 . . . . 28 ASP CA . 15465 1 269 . 1 1 28 28 ASP CB C 13 39.12 0.05 . 1 . . . . 28 ASP CB . 15465 1 270 . 1 1 28 28 ASP N N 15 115.82 0.05 . 1 . . . . 28 ASP N . 15465 1 271 . 1 1 29 29 PHE H H 1 7.94 0.02 . 1 . . . . 29 PHE H . 15465 1 272 . 1 1 29 29 PHE HA H 1 4.18 0.02 . 1 . . . . 29 PHE HA . 15465 1 273 . 1 1 29 29 PHE HB2 H 1 2.95 0.02 . 1 . . . . 29 PHE HB2 . 15465 1 274 . 1 1 29 29 PHE HB3 H 1 3.33 0.02 . 1 . . . . 29 PHE HB3 . 15465 1 275 . 1 1 29 29 PHE HD1 H 1 7.15 0.02 . 1 . . . . 29 PHE HD1 . 15465 1 276 . 1 1 29 29 PHE HD2 H 1 7.15 0.02 . 1 . . . . 29 PHE HD2 . 15465 1 277 . 1 1 29 29 PHE HE1 H 1 6.92 0.02 . 1 . . . . 29 PHE HE1 . 15465 1 278 . 1 1 29 29 PHE HE2 H 1 6.92 0.02 . 1 . . . . 29 PHE HE2 . 15465 1 279 . 1 1 29 29 PHE HZ H 1 7.15 0.02 . 1 . . . . 29 PHE HZ . 15465 1 280 . 1 1 29 29 PHE C C 13 176.74 0.05 . 1 . . . . 29 PHE C . 15465 1 281 . 1 1 29 29 PHE CA C 13 61.02 0.05 . 1 . . . . 29 PHE CA . 15465 1 282 . 1 1 29 29 PHE CB C 13 39.23 0.05 . 1 . . . . 29 PHE CB . 15465 1 283 . 1 1 29 29 PHE CD1 C 13 131.52 0.05 . 1 . . . . 29 PHE CD1 . 15465 1 284 . 1 1 29 29 PHE CD2 C 13 131.52 0.05 . 1 . . . . 29 PHE CD2 . 15465 1 285 . 1 1 29 29 PHE CE1 C 13 131.27 0.05 . 1 . . . . 29 PHE CE1 . 15465 1 286 . 1 1 29 29 PHE CE2 C 13 131.27 0.05 . 1 . . . . 29 PHE CE2 . 15465 1 287 . 1 1 29 29 PHE CZ C 13 128.23 0.05 . 1 . . . . 29 PHE CZ . 15465 1 288 . 1 1 29 29 PHE N N 15 119.61 0.05 . 1 . . . . 29 PHE N . 15465 1 289 . 1 1 30 30 VAL H H 1 8.01 0.02 . 1 . . . . 30 VAL H . 15465 1 290 . 1 1 30 30 VAL HA H 1 3.35 0.02 . 1 . . . . 30 VAL HA . 15465 1 291 . 1 1 30 30 VAL HB H 1 1.97 0.02 . 1 . . . . 30 VAL HB . 15465 1 292 . 1 1 30 30 VAL HG11 H 1 0.88 0.02 . 1 . . . . 30 VAL HG1 . 15465 1 293 . 1 1 30 30 VAL HG12 H 1 0.88 0.02 . 1 . . . . 30 VAL HG1 . 15465 1 294 . 1 1 30 30 VAL HG13 H 1 0.88 0.02 . 1 . . . . 30 VAL HG1 . 15465 1 295 . 1 1 30 30 VAL HG21 H 1 0.88 0.02 . 1 . . . . 30 VAL HG2 . 15465 1 296 . 1 1 30 30 VAL HG22 H 1 0.88 0.02 . 1 . . . . 30 VAL HG2 . 15465 1 297 . 1 1 30 30 VAL HG23 H 1 0.88 0.02 . 1 . . . . 30 VAL HG2 . 15465 1 298 . 1 1 30 30 VAL C C 13 176.40 0.05 . 1 . . . . 30 VAL C . 15465 1 299 . 1 1 30 30 VAL CA C 13 66.51 0.05 . 1 . . . . 30 VAL CA . 15465 1 300 . 1 1 30 30 VAL CB C 13 31.02 0.05 . 1 . . . . 30 VAL CB . 15465 1 301 . 1 1 30 30 VAL CG1 C 13 21.47 0.05 . 1 . . . . 30 VAL CG1 . 15465 1 302 . 1 1 30 30 VAL CG2 C 13 21.47 0.05 . 1 . . . . 30 VAL CG2 . 15465 1 303 . 1 1 30 30 VAL N N 15 116.37 0.05 . 1 . . . . 30 VAL N . 15465 1 304 . 1 1 31 31 ASP H H 1 7.42 0.02 . 1 . . . . 31 ASP H . 15465 1 305 . 1 1 31 31 ASP HA H 1 4.31 0.02 . 1 . . . . 31 ASP HA . 15465 1 306 . 1 1 31 31 ASP HB2 H 1 2.69 0.02 . 2 . . . . 31 ASP HB2 . 15465 1 307 . 1 1 31 31 ASP HB3 H 1 2.61 0.02 . 2 . . . . 31 ASP HB3 . 15465 1 308 . 1 1 31 31 ASP C C 13 178.36 0.05 . 1 . . . . 31 ASP C . 15465 1 309 . 1 1 31 31 ASP CA C 13 57.11 0.05 . 1 . . . . 31 ASP CA . 15465 1 310 . 1 1 31 31 ASP CB C 13 40.45 0.05 . 1 . . . . 31 ASP CB . 15465 1 311 . 1 1 31 31 ASP N N 15 119.19 0.05 . 1 . . . . 31 ASP N . 15465 1 312 . 1 1 32 32 VAL H H 1 7.19 0.02 . 1 . . . . 32 VAL H . 15465 1 313 . 1 1 32 32 VAL HA H 1 3.51 0.02 . 1 . . . . 32 VAL HA . 15465 1 314 . 1 1 32 32 VAL HB H 1 1.70 0.02 . 1 . . . . 32 VAL HB . 15465 1 315 . 1 1 32 32 VAL HG11 H 1 0.74 0.02 . 1 . . . . 32 VAL HG1 . 15465 1 316 . 1 1 32 32 VAL HG12 H 1 0.74 0.02 . 1 . . . . 32 VAL HG1 . 15465 1 317 . 1 1 32 32 VAL HG13 H 1 0.74 0.02 . 1 . . . . 32 VAL HG1 . 15465 1 318 . 1 1 32 32 VAL HG21 H 1 0.87 0.02 . 1 . . . . 32 VAL HG2 . 15465 1 319 . 1 1 32 32 VAL HG22 H 1 0.87 0.02 . 1 . . . . 32 VAL HG2 . 15465 1 320 . 1 1 32 32 VAL HG23 H 1 0.87 0.02 . 1 . . . . 32 VAL HG2 . 15465 1 321 . 1 1 32 32 VAL C C 13 178.10 0.05 . 1 . . . . 32 VAL C . 15465 1 322 . 1 1 32 32 VAL CA C 13 65.57 0.05 . 1 . . . . 32 VAL CA . 15465 1 323 . 1 1 32 32 VAL CB C 13 31.41 0.05 . 1 . . . . 32 VAL CB . 15465 1 324 . 1 1 32 32 VAL CG1 C 13 21.50 0.05 . 1 . . . . 32 VAL CG1 . 15465 1 325 . 1 1 32 32 VAL CG2 C 13 21.50 0.05 . 1 . . . . 32 VAL CG2 . 15465 1 326 . 1 1 32 32 VAL N N 15 119.83 0.05 . 1 . . . . 32 VAL N . 15465 1 327 . 1 1 33 33 ILE H H 1 7.66 0.02 . 1 . . . . 33 ILE H . 15465 1 328 . 1 1 33 33 ILE HA H 1 3.17 0.02 . 1 . . . . 33 ILE HA . 15465 1 329 . 1 1 33 33 ILE HB H 1 1.57 0.02 . 1 . . . . 33 ILE HB . 15465 1 330 . 1 1 33 33 ILE HD11 H 1 0.37 0.02 . 1 . . . . 33 ILE HD1 . 15465 1 331 . 1 1 33 33 ILE HD12 H 1 0.37 0.02 . 1 . . . . 33 ILE HD1 . 15465 1 332 . 1 1 33 33 ILE HD13 H 1 0.37 0.02 . 1 . . . . 33 ILE HD1 . 15465 1 333 . 1 1 33 33 ILE HG12 H 1 0.48 0.02 . 1 . . . . 33 ILE HG12 . 15465 1 334 . 1 1 33 33 ILE HG13 H 1 1.30 0.02 . 1 . . . . 33 ILE HG13 . 15465 1 335 . 1 1 33 33 ILE HG21 H 1 0.40 0.02 . 1 . . . . 33 ILE HG2 . 15465 1 336 . 1 1 33 33 ILE HG22 H 1 0.40 0.02 . 1 . . . . 33 ILE HG2 . 15465 1 337 . 1 1 33 33 ILE HG23 H 1 0.40 0.02 . 1 . . . . 33 ILE HG2 . 15465 1 338 . 1 1 33 33 ILE C C 13 176.66 0.05 . 1 . . . . 33 ILE C . 15465 1 339 . 1 1 33 33 ILE CA C 13 65.22 0.05 . 1 . . . . 33 ILE CA . 15465 1 340 . 1 1 33 33 ILE CB C 13 37.50 0.05 . 1 . . . . 33 ILE CB . 15465 1 341 . 1 1 33 33 ILE CD1 C 13 13.94 0.05 . 1 . . . . 33 ILE CD1 . 15465 1 342 . 1 1 33 33 ILE CG1 C 13 28.66 0.05 . 1 . . . . 33 ILE CG1 . 15465 1 343 . 1 1 33 33 ILE CG2 C 13 17.55 0.05 . 1 . . . . 33 ILE CG2 . 15465 1 344 . 1 1 33 33 ILE N N 15 118.49 0.05 . 1 . . . . 33 ILE N . 15465 1 345 . 1 1 34 34 ARG H H 1 7.83 0.02 . 1 . . . . 34 ARG H . 15465 1 346 . 1 1 34 34 ARG HA H 1 3.38 0.02 . 1 . . . . 34 ARG HA . 15465 1 347 . 1 1 34 34 ARG HB2 H 1 1.80 0.02 . 1 . . . . 34 ARG HB2 . 15465 1 348 . 1 1 34 34 ARG HB3 H 1 1.80 0.02 . 1 . . . . 34 ARG HB3 . 15465 1 349 . 1 1 34 34 ARG HD2 H 1 3.34 0.02 . 2 . . . . 34 ARG HD2 . 15465 1 350 . 1 1 34 34 ARG HD3 H 1 3.24 0.02 . 2 . . . . 34 ARG HD3 . 15465 1 351 . 1 1 34 34 ARG HE H 1 7.31 0.02 . 1 . . . . 34 ARG HE . 15465 1 352 . 1 1 34 34 ARG HG2 H 1 1.41 0.02 . 1 . . . . 34 ARG HG2 . 15465 1 353 . 1 1 34 34 ARG HG3 H 1 1.41 0.02 . 1 . . . . 34 ARG HG3 . 15465 1 354 . 1 1 34 34 ARG C C 13 178.06 0.05 . 1 . . . . 34 ARG C . 15465 1 355 . 1 1 34 34 ARG CA C 13 60.57 0.05 . 1 . . . . 34 ARG CA . 15465 1 356 . 1 1 34 34 ARG CB C 13 30.07 0.05 . 1 . . . . 34 ARG CB . 15465 1 357 . 1 1 34 34 ARG CD C 13 43.22 0.05 . 1 . . . . 34 ARG CD . 15465 1 358 . 1 1 34 34 ARG CG C 13 27.75 0.05 . 1 . . . . 34 ARG CG . 15465 1 359 . 1 1 34 34 ARG N N 15 118.26 0.05 . 1 . . . . 34 ARG N . 15465 1 360 . 1 1 34 34 ARG NE N 15 83.28 0.05 . 1 . . . . 34 ARG NE . 15465 1 361 . 1 1 35 35 ILE H H 1 7.35 0.02 . 1 . . . . 35 ILE H . 15465 1 362 . 1 1 35 35 ILE HA H 1 3.72 0.02 . 1 . . . . 35 ILE HA . 15465 1 363 . 1 1 35 35 ILE HB H 1 1.87 0.02 . 1 . . . . 35 ILE HB . 15465 1 364 . 1 1 35 35 ILE HD11 H 1 0.79 0.02 . 1 . . . . 35 ILE HD1 . 15465 1 365 . 1 1 35 35 ILE HD12 H 1 0.79 0.02 . 1 . . . . 35 ILE HD1 . 15465 1 366 . 1 1 35 35 ILE HD13 H 1 0.79 0.02 . 1 . . . . 35 ILE HD1 . 15465 1 367 . 1 1 35 35 ILE HG12 H 1 1.61 0.02 . 1 . . . . 35 ILE HG12 . 15465 1 368 . 1 1 35 35 ILE HG13 H 1 1.18 0.02 . 1 . . . . 35 ILE HG13 . 15465 1 369 . 1 1 35 35 ILE HG21 H 1 0.87 0.02 . 1 . . . . 35 ILE HG2 . 15465 1 370 . 1 1 35 35 ILE HG22 H 1 0.87 0.02 . 1 . . . . 35 ILE HG2 . 15465 1 371 . 1 1 35 35 ILE HG23 H 1 0.87 0.02 . 1 . . . . 35 ILE HG2 . 15465 1 372 . 1 1 35 35 ILE C C 13 179.09 0.05 . 1 . . . . 35 ILE C . 15465 1 373 . 1 1 35 35 ILE CA C 13 64.06 0.05 . 1 . . . . 35 ILE CA . 15465 1 374 . 1 1 35 35 ILE CB C 13 38.03 0.05 . 1 . . . . 35 ILE CB . 15465 1 375 . 1 1 35 35 ILE CD1 C 13 12.81 0.05 . 1 . . . . 35 ILE CD1 . 15465 1 376 . 1 1 35 35 ILE CG1 C 13 29.10 0.05 . 1 . . . . 35 ILE CG1 . 15465 1 377 . 1 1 35 35 ILE CG2 C 13 17.26 0.05 . 1 . . . . 35 ILE CG2 . 15465 1 378 . 1 1 35 35 ILE N N 15 116.75 0.05 . 1 . . . . 35 ILE N . 15465 1 379 . 1 1 36 36 LYS H H 1 7.88 0.02 . 1 . . . . 36 LYS H . 15465 1 380 . 1 1 36 36 LYS HA H 1 4.09 0.02 . 1 . . . . 36 LYS HA . 15465 1 381 . 1 1 36 36 LYS HB2 H 1 1.80 0.02 . 1 . . . . 36 LYS HB2 . 15465 1 382 . 1 1 36 36 LYS HB3 H 1 1.80 0.02 . 1 . . . . 36 LYS HB3 . 15465 1 383 . 1 1 36 36 LYS HD2 H 1 1.67 0.02 . 1 . . . . 36 LYS HD2 . 15465 1 384 . 1 1 36 36 LYS HD3 H 1 1.67 0.02 . 1 . . . . 36 LYS HD3 . 15465 1 385 . 1 1 36 36 LYS HE2 H 1 3.01 0.02 . 2 . . . . 36 LYS HE2 . 15465 1 386 . 1 1 36 36 LYS HE3 H 1 2.91 0.02 . 2 . . . . 36 LYS HE3 . 15465 1 387 . 1 1 36 36 LYS HG2 H 1 1.55 0.02 . 2 . . . . 36 LYS HG2 . 15465 1 388 . 1 1 36 36 LYS HG3 H 1 1.43 0.02 . 2 . . . . 36 LYS HG3 . 15465 1 389 . 1 1 36 36 LYS C C 13 178.56 0.05 . 1 . . . . 36 LYS C . 15465 1 390 . 1 1 36 36 LYS CA C 13 57.65 0.05 . 1 . . . . 36 LYS CA . 15465 1 391 . 1 1 36 36 LYS CB C 13 32.09 0.05 . 1 . . . . 36 LYS CB . 15465 1 392 . 1 1 36 36 LYS CD C 13 28.45 0.05 . 1 . . . . 36 LYS CD . 15465 1 393 . 1 1 36 36 LYS CE C 13 42.26 0.05 . 1 . . . . 36 LYS CE . 15465 1 394 . 1 1 36 36 LYS CG C 13 25.35 0.05 . 1 . . . . 36 LYS CG . 15465 1 395 . 1 1 36 36 LYS N N 15 118.70 0.05 . 1 . . . . 36 LYS N . 15465 1 396 . 1 1 37 37 LEU H H 1 7.86 0.02 . 1 . . . . 37 LEU H . 15465 1 397 . 1 1 37 37 LEU HA H 1 4.23 0.02 . 1 . . . . 37 LEU HA . 15465 1 398 . 1 1 37 37 LEU HB2 H 1 1.55 0.02 . 1 . . . . 37 LEU HB2 . 15465 1 399 . 1 1 37 37 LEU HB3 H 1 1.45 0.02 . 1 . . . . 37 LEU HB3 . 15465 1 400 . 1 1 37 37 LEU HD11 H 1 0.50 0.02 . 1 . . . . 37 LEU HD1 . 15465 1 401 . 1 1 37 37 LEU HD12 H 1 0.50 0.02 . 1 . . . . 37 LEU HD1 . 15465 1 402 . 1 1 37 37 LEU HD13 H 1 0.50 0.02 . 1 . . . . 37 LEU HD1 . 15465 1 403 . 1 1 37 37 LEU HD21 H 1 0.62 0.02 . 1 . . . . 37 LEU HD2 . 15465 1 404 . 1 1 37 37 LEU HD22 H 1 0.62 0.02 . 1 . . . . 37 LEU HD2 . 15465 1 405 . 1 1 37 37 LEU HD23 H 1 0.62 0.02 . 1 . . . . 37 LEU HD2 . 15465 1 406 . 1 1 37 37 LEU HG H 1 1.62 0.02 . 1 . . . . 37 LEU HG . 15465 1 407 . 1 1 37 37 LEU C C 13 175.88 0.05 . 1 . . . . 37 LEU C . 15465 1 408 . 1 1 37 37 LEU CA C 13 54.09 0.05 . 1 . . . . 37 LEU CA . 15465 1 409 . 1 1 37 37 LEU CB C 13 43.31 0.05 . 1 . . . . 37 LEU CB . 15465 1 410 . 1 1 37 37 LEU CD1 C 13 26.02 0.05 . 1 . . . . 37 LEU CD1 . 15465 1 411 . 1 1 37 37 LEU CD2 C 13 22.60 0.05 . 1 . . . . 37 LEU CD2 . 15465 1 412 . 1 1 37 37 LEU CG C 13 26.24 0.05 . 1 . . . . 37 LEU CG . 15465 1 413 . 1 1 37 37 LEU N N 15 116.38 0.05 . 1 . . . . 37 LEU N . 15465 1 414 . 1 1 38 38 GLN H H 1 7.19 0.02 . 1 . . . . 38 GLN H . 15465 1 415 . 1 1 38 38 GLN HA H 1 3.53 0.02 . 1 . . . . 38 GLN HA . 15465 1 416 . 1 1 38 38 GLN HB2 H 1 2.11 0.02 . 2 . . . . 38 GLN HB2 . 15465 1 417 . 1 1 38 38 GLN HB3 H 1 1.96 0.02 . 2 . . . . 38 GLN HB3 . 15465 1 418 . 1 1 38 38 GLN HE21 H 1 7.32 0.02 . 1 . . . . 38 GLN HE21 . 15465 1 419 . 1 1 38 38 GLN HE22 H 1 6.53 0.02 . 1 . . . . 38 GLN HE22 . 15465 1 420 . 1 1 38 38 GLN HG2 H 1 2.44 0.02 . 2 . . . . 38 GLN HG2 . 15465 1 421 . 1 1 38 38 GLN HG3 H 1 2.27 0.02 . 2 . . . . 38 GLN HG3 . 15465 1 422 . 1 1 38 38 GLN C C 13 177.48 0.05 . 1 . . . . 38 GLN C . 15465 1 423 . 1 1 38 38 GLN CA C 13 58.37 0.05 . 1 . . . . 38 GLN CA . 15465 1 424 . 1 1 38 38 GLN CB C 13 28.30 0.05 . 1 . . . . 38 GLN CB . 15465 1 425 . 1 1 38 38 GLN CG C 13 33.54 0.05 . 1 . . . . 38 GLN CG . 15465 1 426 . 1 1 38 38 GLN N N 15 119.21 0.05 . 1 . . . . 38 GLN N . 15465 1 427 . 1 1 38 38 GLN NE2 N 15 110.80 0.05 . 1 . . . . 38 GLN NE2 . 15465 1 428 . 1 1 39 39 GLY H H 1 8.94 0.02 . 1 . . . . 39 GLY H . 15465 1 429 . 1 1 39 39 GLY HA2 H 1 3.54 0.02 . 1 . . . . 39 GLY HA2 . 15465 1 430 . 1 1 39 39 GLY HA3 H 1 4.22 0.02 . 1 . . . . 39 GLY HA3 . 15465 1 431 . 1 1 39 39 GLY C C 13 174.07 0.05 . 1 . . . . 39 GLY C . 15465 1 432 . 1 1 39 39 GLY CA C 13 45.28 0.05 . 1 . . . . 39 GLY CA . 15465 1 433 . 1 1 39 39 GLY N N 15 113.49 0.05 . 1 . . . . 39 GLY N . 15465 1 434 . 1 1 40 40 LYS H H 1 8.35 0.02 . 1 . . . . 40 LYS H . 15465 1 435 . 1 1 40 40 LYS HA H 1 4.40 0.02 . 1 . . . . 40 LYS HA . 15465 1 436 . 1 1 40 40 LYS HB2 H 1 1.88 0.02 . 1 . . . . 40 LYS HB2 . 15465 1 437 . 1 1 40 40 LYS HB3 H 1 1.71 0.02 . 1 . . . . 40 LYS HB3 . 15465 1 438 . 1 1 40 40 LYS HD2 H 1 1.61 0.02 . 1 . . . . 40 LYS HD2 . 15465 1 439 . 1 1 40 40 LYS HD3 H 1 1.61 0.02 . 1 . . . . 40 LYS HD3 . 15465 1 440 . 1 1 40 40 LYS HE2 H 1 3.01 0.02 . 1 . . . . 40 LYS HE2 . 15465 1 441 . 1 1 40 40 LYS HE3 H 1 3.01 0.02 . 1 . . . . 40 LYS HE3 . 15465 1 442 . 1 1 40 40 LYS HG2 H 1 1.36 0.02 . 2 . . . . 40 LYS HG2 . 15465 1 443 . 1 1 40 40 LYS HG3 H 1 1.29 0.02 . 2 . . . . 40 LYS HG3 . 15465 1 444 . 1 1 40 40 LYS C C 13 175.56 0.05 . 1 . . . . 40 LYS C . 15465 1 445 . 1 1 40 40 LYS CA C 13 55.66 0.05 . 1 . . . . 40 LYS CA . 15465 1 446 . 1 1 40 40 LYS CB C 13 32.87 0.05 . 1 . . . . 40 LYS CB . 15465 1 447 . 1 1 40 40 LYS CD C 13 28.80 0.05 . 1 . . . . 40 LYS CD . 15465 1 448 . 1 1 40 40 LYS CE C 13 42.26 0.05 . 1 . . . . 40 LYS CE . 15465 1 449 . 1 1 40 40 LYS CG C 13 25.48 0.05 . 1 . . . . 40 LYS CG . 15465 1 450 . 1 1 40 40 LYS N N 15 122.06 0.05 . 1 . . . . 40 LYS N . 15465 1 451 . 1 1 41 41 THR H H 1 8.41 0.02 . 1 . . . . 41 THR H . 15465 1 452 . 1 1 41 41 THR HA H 1 5.33 0.02 . 1 . . . . 41 THR HA . 15465 1 453 . 1 1 41 41 THR HB H 1 3.89 0.02 . 1 . . . . 41 THR HB . 15465 1 454 . 1 1 41 41 THR HG21 H 1 0.98 0.02 . 1 . . . . 41 THR HG2 . 15465 1 455 . 1 1 41 41 THR HG22 H 1 0.98 0.02 . 1 . . . . 41 THR HG2 . 15465 1 456 . 1 1 41 41 THR HG23 H 1 0.98 0.02 . 1 . . . . 41 THR HG2 . 15465 1 457 . 1 1 41 41 THR C C 13 174.86 0.05 . 1 . . . . 41 THR C . 15465 1 458 . 1 1 41 41 THR CA C 13 62.04 0.05 . 1 . . . . 41 THR CA . 15465 1 459 . 1 1 41 41 THR CB C 13 69.42 0.05 . 1 . . . . 41 THR CB . 15465 1 460 . 1 1 41 41 THR CG2 C 13 21.62 0.05 . 1 . . . . 41 THR CG2 . 15465 1 461 . 1 1 41 41 THR N N 15 118.15 0.05 . 1 . . . . 41 THR N . 15465 1 462 . 1 1 42 42 VAL H H 1 9.14 0.02 . 1 . . . . 42 VAL H . 15465 1 463 . 1 1 42 42 VAL HA H 1 4.57 0.02 . 1 . . . . 42 VAL HA . 15465 1 464 . 1 1 42 42 VAL HB H 1 1.94 0.02 . 1 . . . . 42 VAL HB . 15465 1 465 . 1 1 42 42 VAL HG11 H 1 0.84 0.02 . 1 . . . . 42 VAL HG1 . 15465 1 466 . 1 1 42 42 VAL HG12 H 1 0.84 0.02 . 1 . . . . 42 VAL HG1 . 15465 1 467 . 1 1 42 42 VAL HG13 H 1 0.84 0.02 . 1 . . . . 42 VAL HG1 . 15465 1 468 . 1 1 42 42 VAL HG21 H 1 0.74 0.02 . 1 . . . . 42 VAL HG2 . 15465 1 469 . 1 1 42 42 VAL HG22 H 1 0.74 0.02 . 1 . . . . 42 VAL HG2 . 15465 1 470 . 1 1 42 42 VAL HG23 H 1 0.74 0.02 . 1 . . . . 42 VAL HG2 . 15465 1 471 . 1 1 42 42 VAL C C 13 172.97 0.05 . 1 . . . . 42 VAL C . 15465 1 472 . 1 1 42 42 VAL CA C 13 59.45 0.05 . 1 . . . . 42 VAL CA . 15465 1 473 . 1 1 42 42 VAL CB C 13 35.88 0.05 . 1 . . . . 42 VAL CB . 15465 1 474 . 1 1 42 42 VAL CG1 C 13 22.80 0.05 . 1 . . . . 42 VAL CG1 . 15465 1 475 . 1 1 42 42 VAL CG2 C 13 20.18 0.05 . 1 . . . . 42 VAL CG2 . 15465 1 476 . 1 1 42 42 VAL N N 15 122.51 0.05 . 1 . . . . 42 VAL N . 15465 1 477 . 1 1 43 43 ARG H H 1 8.42 0.02 . 1 . . . . 43 ARG H . 15465 1 478 . 1 1 43 43 ARG HA H 1 4.75 0.02 . 1 . . . . 43 ARG HA . 15465 1 479 . 1 1 43 43 ARG HB2 H 1 1.59 0.02 . 1 . . . . 43 ARG HB2 . 15465 1 480 . 1 1 43 43 ARG HB3 H 1 1.59 0.02 . 1 . . . . 43 ARG HB3 . 15465 1 481 . 1 1 43 43 ARG HD2 H 1 3.16 0.02 . 2 . . . . 43 ARG HD2 . 15465 1 482 . 1 1 43 43 ARG HD3 H 1 3.07 0.02 . 2 . . . . 43 ARG HD3 . 15465 1 483 . 1 1 43 43 ARG HG2 H 1 1.43 0.02 . 1 . . . . 43 ARG HG2 . 15465 1 484 . 1 1 43 43 ARG HG3 H 1 1.43 0.02 . 1 . . . . 43 ARG HG3 . 15465 1 485 . 1 1 43 43 ARG C C 13 175.65 0.05 . 1 . . . . 43 ARG C . 15465 1 486 . 1 1 43 43 ARG CA C 13 53.65 0.05 . 1 . . . . 43 ARG CA . 15465 1 487 . 1 1 43 43 ARG CB C 13 33.87 0.05 . 1 . . . . 43 ARG CB . 15465 1 488 . 1 1 43 43 ARG CD C 13 43.23 0.05 . 1 . . . . 43 ARG CD . 15465 1 489 . 1 1 43 43 ARG CG C 13 27.60 0.05 . 1 . . . . 43 ARG CG . 15465 1 490 . 1 1 43 43 ARG N N 15 120.64 0.05 . 1 . . . . 43 ARG N . 15465 1 491 . 1 1 44 44 THR H H 1 8.37 0.02 . 1 . . . . 44 THR H . 15465 1 492 . 1 1 44 44 THR HA H 1 3.41 0.02 . 1 . . . . 44 THR HA . 15465 1 493 . 1 1 44 44 THR HB H 1 3.93 0.02 . 1 . . . . 44 THR HB . 15465 1 494 . 1 1 44 44 THR HG21 H 1 1.22 0.02 . 1 . . . . 44 THR HG2 . 15465 1 495 . 1 1 44 44 THR HG22 H 1 1.22 0.02 . 1 . . . . 44 THR HG2 . 15465 1 496 . 1 1 44 44 THR HG23 H 1 1.22 0.02 . 1 . . . . 44 THR HG2 . 15465 1 497 . 1 1 44 44 THR C C 13 175.02 0.05 . 1 . . . . 44 THR C . 15465 1 498 . 1 1 44 44 THR CA C 13 65.66 0.05 . 1 . . . . 44 THR CA . 15465 1 499 . 1 1 44 44 THR CB C 13 69.40 0.05 . 1 . . . . 44 THR CB . 15465 1 500 . 1 1 44 44 THR CG2 C 13 22.87 0.05 . 1 . . . . 44 THR CG2 . 15465 1 501 . 1 1 44 44 THR N N 15 118.59 0.05 . 1 . . . . 44 THR N . 15465 1 502 . 1 1 45 45 GLY H H 1 9.09 0.02 . 1 . . . . 45 GLY H . 15465 1 503 . 1 1 45 45 GLY HA2 H 1 3.47 0.02 . 1 . . . . 45 GLY HA2 . 15465 1 504 . 1 1 45 45 GLY HA3 H 1 4.47 0.02 . 1 . . . . 45 GLY HA3 . 15465 1 505 . 1 1 45 45 GLY C C 13 174.35 0.05 . 1 . . . . 45 GLY C . 15465 1 506 . 1 1 45 45 GLY CA C 13 45.00 0.05 . 1 . . . . 45 GLY CA . 15465 1 507 . 1 1 45 45 GLY N N 15 117.35 0.05 . 1 . . . . 45 GLY N . 15465 1 508 . 1 1 46 46 ASP H H 1 8.01 0.02 . 1 . . . . 46 ASP H . 15465 1 509 . 1 1 46 46 ASP HA H 1 4.47 0.02 . 1 . . . . 46 ASP HA . 15465 1 510 . 1 1 46 46 ASP HB2 H 1 2.75 0.02 . 1 . . . . 46 ASP HB2 . 15465 1 511 . 1 1 46 46 ASP HB3 H 1 2.49 0.02 . 1 . . . . 46 ASP HB3 . 15465 1 512 . 1 1 46 46 ASP C C 13 174.57 0.05 . 1 . . . . 46 ASP C . 15465 1 513 . 1 1 46 46 ASP CA C 13 55.57 0.05 . 1 . . . . 46 ASP CA . 15465 1 514 . 1 1 46 46 ASP CB C 13 41.68 0.05 . 1 . . . . 46 ASP CB . 15465 1 515 . 1 1 46 46 ASP N N 15 122.24 0.05 . 1 . . . . 46 ASP N . 15465 1 516 . 1 1 47 47 VAL H H 1 8.33 0.02 . 1 . . . . 47 VAL H . 15465 1 517 . 1 1 47 47 VAL HA H 1 4.95 0.02 . 1 . . . . 47 VAL HA . 15465 1 518 . 1 1 47 47 VAL HB H 1 1.88 0.02 . 1 . . . . 47 VAL HB . 15465 1 519 . 1 1 47 47 VAL HG11 H 1 0.79 0.02 . 1 . . . . 47 VAL HG1 . 15465 1 520 . 1 1 47 47 VAL HG12 H 1 0.79 0.02 . 1 . . . . 47 VAL HG1 . 15465 1 521 . 1 1 47 47 VAL HG13 H 1 0.79 0.02 . 1 . . . . 47 VAL HG1 . 15465 1 522 . 1 1 47 47 VAL HG21 H 1 0.92 0.02 . 1 . . . . 47 VAL HG2 . 15465 1 523 . 1 1 47 47 VAL HG22 H 1 0.92 0.02 . 1 . . . . 47 VAL HG2 . 15465 1 524 . 1 1 47 47 VAL HG23 H 1 0.92 0.02 . 1 . . . . 47 VAL HG2 . 15465 1 525 . 1 1 47 47 VAL C C 13 176.33 0.05 . 1 . . . . 47 VAL C . 15465 1 526 . 1 1 47 47 VAL CA C 13 61.71 0.05 . 1 . . . . 47 VAL CA . 15465 1 527 . 1 1 47 47 VAL CB C 13 32.90 0.05 . 1 . . . . 47 VAL CB . 15465 1 528 . 1 1 47 47 VAL CG1 C 13 21.46 0.05 . 1 . . . . 47 VAL CG1 . 15465 1 529 . 1 1 47 47 VAL CG2 C 13 21.46 0.05 . 1 . . . . 47 VAL CG2 . 15465 1 530 . 1 1 47 47 VAL N N 15 119.86 0.05 . 1 . . . . 47 VAL N . 15465 1 531 . 1 1 48 48 ILE H H 1 9.16 0.02 . 1 . . . . 48 ILE H . 15465 1 532 . 1 1 48 48 ILE HA H 1 4.63 0.02 . 1 . . . . 48 ILE HA . 15465 1 533 . 1 1 48 48 ILE HB H 1 1.71 0.02 . 1 . . . . 48 ILE HB . 15465 1 534 . 1 1 48 48 ILE HD11 H 1 0.69 0.02 . 1 . . . . 48 ILE HD1 . 15465 1 535 . 1 1 48 48 ILE HD12 H 1 0.69 0.02 . 1 . . . . 48 ILE HD1 . 15465 1 536 . 1 1 48 48 ILE HD13 H 1 0.69 0.02 . 1 . . . . 48 ILE HD1 . 15465 1 537 . 1 1 48 48 ILE HG12 H 1 1.45 0.02 . 2 . . . . 48 ILE HG12 . 15465 1 538 . 1 1 48 48 ILE HG13 H 1 1.07 0.02 . 2 . . . . 48 ILE HG13 . 15465 1 539 . 1 1 48 48 ILE HG21 H 1 0.83 0.02 . 1 . . . . 48 ILE HG2 . 15465 1 540 . 1 1 48 48 ILE HG22 H 1 0.83 0.02 . 1 . . . . 48 ILE HG2 . 15465 1 541 . 1 1 48 48 ILE HG23 H 1 0.83 0.02 . 1 . . . . 48 ILE HG2 . 15465 1 542 . 1 1 48 48 ILE C C 13 174.40 0.05 . 1 . . . . 48 ILE C . 15465 1 543 . 1 1 48 48 ILE CA C 13 58.99 0.05 . 1 . . . . 48 ILE CA . 15465 1 544 . 1 1 48 48 ILE CB C 13 41.81 0.05 . 1 . . . . 48 ILE CB . 15465 1 545 . 1 1 48 48 ILE CD1 C 13 14.37 0.05 . 1 . . . . 48 ILE CD1 . 15465 1 546 . 1 1 48 48 ILE CG1 C 13 26.73 0.05 . 1 . . . . 48 ILE CG1 . 15465 1 547 . 1 1 48 48 ILE CG2 C 13 17.72 0.05 . 1 . . . . 48 ILE CG2 . 15465 1 548 . 1 1 48 48 ILE N N 15 124.99 0.05 . 1 . . . . 48 ILE N . 15465 1 549 . 1 1 49 49 GLY H H 1 8.66 0.02 . 1 . . . . 49 GLY H . 15465 1 550 . 1 1 49 49 GLY HA2 H 1 4.95 0.02 . 1 . . . . 49 GLY HA2 . 15465 1 551 . 1 1 49 49 GLY HA3 H 1 3.62 0.02 . 1 . . . . 49 GLY HA3 . 15465 1 552 . 1 1 49 49 GLY C C 13 172.92 0.05 . 1 . . . . 49 GLY C . 15465 1 553 . 1 1 49 49 GLY CA C 13 44.58 0.05 . 1 . . . . 49 GLY CA . 15465 1 554 . 1 1 49 49 GLY N N 15 112.06 0.05 . 1 . . . . 49 GLY N . 15465 1 555 . 1 1 50 50 ILE H H 1 8.81 0.02 . 1 . . . . 50 ILE H . 15465 1 556 . 1 1 50 50 ILE HA H 1 4.37 0.02 . 1 . . . . 50 ILE HA . 15465 1 557 . 1 1 50 50 ILE HB H 1 1.86 0.02 . 1 . . . . 50 ILE HB . 15465 1 558 . 1 1 50 50 ILE HD11 H 1 0.47 0.02 . 1 . . . . 50 ILE HD1 . 15465 1 559 . 1 1 50 50 ILE HD12 H 1 0.47 0.02 . 1 . . . . 50 ILE HD1 . 15465 1 560 . 1 1 50 50 ILE HD13 H 1 0.47 0.02 . 1 . . . . 50 ILE HD1 . 15465 1 561 . 1 1 50 50 ILE HG12 H 1 1.07 0.02 . 1 . . . . 50 ILE HG12 . 15465 1 562 . 1 1 50 50 ILE HG13 H 1 1.40 0.02 . 1 . . . . 50 ILE HG13 . 15465 1 563 . 1 1 50 50 ILE HG21 H 1 0.79 0.02 . 1 . . . . 50 ILE HG2 . 15465 1 564 . 1 1 50 50 ILE HG22 H 1 0.79 0.02 . 1 . . . . 50 ILE HG2 . 15465 1 565 . 1 1 50 50 ILE HG23 H 1 0.79 0.02 . 1 . . . . 50 ILE HG2 . 15465 1 566 . 1 1 50 50 ILE C C 13 174.50 0.05 . 1 . . . . 50 ILE C . 15465 1 567 . 1 1 50 50 ILE CA C 13 59.55 0.05 . 1 . . . . 50 ILE CA . 15465 1 568 . 1 1 50 50 ILE CB C 13 41.30 0.05 . 1 . . . . 50 ILE CB . 15465 1 569 . 1 1 50 50 ILE CD1 C 13 13.25 0.05 . 1 . . . . 50 ILE CD1 . 15465 1 570 . 1 1 50 50 ILE CG1 C 13 26.72 0.05 . 1 . . . . 50 ILE CG1 . 15465 1 571 . 1 1 50 50 ILE CG2 C 13 17.56 0.05 . 1 . . . . 50 ILE CG2 . 15465 1 572 . 1 1 50 50 ILE N N 15 123.22 0.05 . 1 . . . . 50 ILE N . 15465 1 573 . 1 1 51 51 SER H H 1 8.54 0.02 . 1 . . . . 51 SER H . 15465 1 574 . 1 1 51 51 SER HA H 1 4.83 0.02 . 1 . . . . 51 SER HA . 15465 1 575 . 1 1 51 51 SER HB2 H 1 3.63 0.02 . 1 . . . . 51 SER HB2 . 15465 1 576 . 1 1 51 51 SER HB3 H 1 3.63 0.02 . 1 . . . . 51 SER HB3 . 15465 1 577 . 1 1 51 51 SER C C 13 174.13 0.05 . 1 . . . . 51 SER C . 15465 1 578 . 1 1 51 51 SER CA C 13 57.77 0.05 . 1 . . . . 51 SER CA . 15465 1 579 . 1 1 51 51 SER CB C 13 63.04 0.05 . 1 . . . . 51 SER CB . 15465 1 580 . 1 1 51 51 SER N N 15 121.43 0.05 . 1 . . . . 51 SER N . 15465 1 581 . 1 1 52 52 ILE H H 1 8.93 0.02 . 1 . . . . 52 ILE H . 15465 1 582 . 1 1 52 52 ILE HA H 1 4.29 0.02 . 1 . . . . 52 ILE HA . 15465 1 583 . 1 1 52 52 ILE HB H 1 1.79 0.02 . 1 . . . . 52 ILE HB . 15465 1 584 . 1 1 52 52 ILE HD11 H 1 0.79 0.02 . 1 . . . . 52 ILE HD1 . 15465 1 585 . 1 1 52 52 ILE HD12 H 1 0.79 0.02 . 1 . . . . 52 ILE HD1 . 15465 1 586 . 1 1 52 52 ILE HD13 H 1 0.79 0.02 . 1 . . . . 52 ILE HD1 . 15465 1 587 . 1 1 52 52 ILE HG12 H 1 1.55 0.02 . 1 . . . . 52 ILE HG12 . 15465 1 588 . 1 1 52 52 ILE HG13 H 1 1.55 0.02 . 1 . . . . 52 ILE HG13 . 15465 1 589 . 1 1 52 52 ILE HG21 H 1 0.78 0.02 . 1 . . . . 52 ILE HG2 . 15465 1 590 . 1 1 52 52 ILE HG22 H 1 0.78 0.02 . 1 . . . . 52 ILE HG2 . 15465 1 591 . 1 1 52 52 ILE HG23 H 1 0.78 0.02 . 1 . . . . 52 ILE HG2 . 15465 1 592 . 1 1 52 52 ILE C C 13 175.28 0.05 . 1 . . . . 52 ILE C . 15465 1 593 . 1 1 52 52 ILE CA C 13 60.25 0.05 . 1 . . . . 52 ILE CA . 15465 1 594 . 1 1 52 52 ILE CB C 13 39.84 0.05 . 1 . . . . 52 ILE CB . 15465 1 595 . 1 1 52 52 ILE CD1 C 13 13.44 0.05 . 1 . . . . 52 ILE CD1 . 15465 1 596 . 1 1 52 52 ILE CG1 C 13 26.96 0.05 . 1 . . . . 52 ILE CG1 . 15465 1 597 . 1 1 52 52 ILE CG2 C 13 17.09 0.05 . 1 . . . . 52 ILE CG2 . 15465 1 598 . 1 1 52 52 ILE N N 15 127.06 0.05 . 1 . . . . 52 ILE N . 15465 1 599 . 1 1 53 53 LEU H H 1 9.38 0.02 . 1 . . . . 53 LEU H . 15465 1 600 . 1 1 53 53 LEU HA H 1 3.89 0.02 . 1 . . . . 53 LEU HA . 15465 1 601 . 1 1 53 53 LEU HB2 H 1 1.80 0.02 . 2 . . . . 53 LEU HB2 . 15465 1 602 . 1 1 53 53 LEU HB3 H 1 1.65 0.02 . 2 . . . . 53 LEU HB3 . 15465 1 603 . 1 1 53 53 LEU HD11 H 1 0.89 0.02 . 2 . . . . 53 LEU HD1 . 15465 1 604 . 1 1 53 53 LEU HD12 H 1 0.89 0.02 . 2 . . . . 53 LEU HD1 . 15465 1 605 . 1 1 53 53 LEU HD13 H 1 0.89 0.02 . 2 . . . . 53 LEU HD1 . 15465 1 606 . 1 1 53 53 LEU HD21 H 1 0.85 0.02 . 2 . . . . 53 LEU HD2 . 15465 1 607 . 1 1 53 53 LEU HD22 H 1 0.85 0.02 . 2 . . . . 53 LEU HD2 . 15465 1 608 . 1 1 53 53 LEU HD23 H 1 0.85 0.02 . 2 . . . . 53 LEU HD2 . 15465 1 609 . 1 1 53 53 LEU HG H 1 1.55 0.02 . 1 . . . . 53 LEU HG . 15465 1 610 . 1 1 53 53 LEU C C 13 177.13 0.05 . 1 . . . . 53 LEU C . 15465 1 611 . 1 1 53 53 LEU CA C 13 55.56 0.05 . 1 . . . . 53 LEU CA . 15465 1 612 . 1 1 53 53 LEU CB C 13 39.37 0.05 . 1 . . . . 53 LEU CB . 15465 1 613 . 1 1 53 53 LEU CD1 C 13 25.48 0.05 . 2 . . . . 53 LEU CD1 . 15465 1 614 . 1 1 53 53 LEU CD2 C 13 22.78 0.05 . 2 . . . . 53 LEU CD2 . 15465 1 615 . 1 1 53 53 LEU CG C 13 26.96 0.05 . 1 . . . . 53 LEU CG . 15465 1 616 . 1 1 53 53 LEU N N 15 126.77 0.05 . 1 . . . . 53 LEU N . 15465 1 617 . 1 1 54 54 GLY H H 1 8.31 0.02 . 1 . . . . 54 GLY H . 15465 1 618 . 1 1 54 54 GLY HA2 H 1 3.49 0.02 . 1 . . . . 54 GLY HA2 . 15465 1 619 . 1 1 54 54 GLY HA3 H 1 4.08 0.02 . 1 . . . . 54 GLY HA3 . 15465 1 620 . 1 1 54 54 GLY C C 13 173.69 0.05 . 1 . . . . 54 GLY C . 15465 1 621 . 1 1 54 54 GLY CA C 13 45.34 0.05 . 1 . . . . 54 GLY CA . 15465 1 622 . 1 1 54 54 GLY N N 15 103.82 0.05 . 1 . . . . 54 GLY N . 15465 1 623 . 1 1 55 55 LYS H H 1 7.73 0.02 . 1 . . . . 55 LYS H . 15465 1 624 . 1 1 55 55 LYS HA H 1 4.56 0.02 . 1 . . . . 55 LYS HA . 15465 1 625 . 1 1 55 55 LYS HB2 H 1 1.74 0.02 . 2 . . . . 55 LYS HB2 . 15465 1 626 . 1 1 55 55 LYS HB3 H 1 1.68 0.02 . 2 . . . . 55 LYS HB3 . 15465 1 627 . 1 1 55 55 LYS HD2 H 1 1.61 0.02 . 1 . . . . 55 LYS HD2 . 15465 1 628 . 1 1 55 55 LYS HD3 H 1 1.61 0.02 . 1 . . . . 55 LYS HD3 . 15465 1 629 . 1 1 55 55 LYS HE2 H 1 2.93 0.02 . 1 . . . . 55 LYS HE2 . 15465 1 630 . 1 1 55 55 LYS HE3 H 1 2.93 0.02 . 1 . . . . 55 LYS HE3 . 15465 1 631 . 1 1 55 55 LYS HG2 H 1 1.31 0.02 . 1 . . . . 55 LYS HG2 . 15465 1 632 . 1 1 55 55 LYS HG3 H 1 1.31 0.02 . 1 . . . . 55 LYS HG3 . 15465 1 633 . 1 1 55 55 LYS C C 13 174.55 0.05 . 1 . . . . 55 LYS C . 15465 1 634 . 1 1 55 55 LYS CA C 13 54.14 0.05 . 1 . . . . 55 LYS CA . 15465 1 635 . 1 1 55 55 LYS CB C 13 34.62 0.05 . 1 . . . . 55 LYS CB . 15465 1 636 . 1 1 55 55 LYS CD C 13 29.03 0.05 . 1 . . . . 55 LYS CD . 15465 1 637 . 1 1 55 55 LYS CE C 13 42.24 0.05 . 1 . . . . 55 LYS CE . 15465 1 638 . 1 1 55 55 LYS CG C 13 24.26 0.05 . 1 . . . . 55 LYS CG . 15465 1 639 . 1 1 55 55 LYS N N 15 121.16 0.05 . 1 . . . . 55 LYS N . 15465 1 640 . 1 1 56 56 GLU H H 1 8.49 0.02 . 1 . . . . 56 GLU H . 15465 1 641 . 1 1 56 56 GLU HA H 1 4.28 0.02 . 1 . . . . 56 GLU HA . 15465 1 642 . 1 1 56 56 GLU HB2 H 1 1.85 0.02 . 2 . . . . 56 GLU HB2 . 15465 1 643 . 1 1 56 56 GLU HB3 H 1 1.81 0.02 . 2 . . . . 56 GLU HB3 . 15465 1 644 . 1 1 56 56 GLU HG2 H 1 1.89 0.02 . 2 . . . . 56 GLU HG2 . 15465 1 645 . 1 1 56 56 GLU HG3 H 1 1.79 0.02 . 2 . . . . 56 GLU HG3 . 15465 1 646 . 1 1 56 56 GLU C C 13 175.73 0.05 . 1 . . . . 56 GLU C . 15465 1 647 . 1 1 56 56 GLU CA C 13 56.73 0.05 . 1 . . . . 56 GLU CA . 15465 1 648 . 1 1 56 56 GLU CB C 13 30.07 0.05 . 1 . . . . 56 GLU CB . 15465 1 649 . 1 1 56 56 GLU CG C 13 37.04 0.05 . 1 . . . . 56 GLU CG . 15465 1 650 . 1 1 56 56 GLU N N 15 124.09 0.05 . 1 . . . . 56 GLU N . 15465 1 651 . 1 1 57 57 VAL H H 1 8.92 0.02 . 1 . . . . 57 VAL H . 15465 1 652 . 1 1 57 57 VAL HA H 1 4.03 0.02 . 1 . . . . 57 VAL HA . 15465 1 653 . 1 1 57 57 VAL HB H 1 2.00 0.02 . 1 . . . . 57 VAL HB . 15465 1 654 . 1 1 57 57 VAL HG11 H 1 0.86 0.02 . 1 . . . . 57 VAL HG1 . 15465 1 655 . 1 1 57 57 VAL HG12 H 1 0.86 0.02 . 1 . . . . 57 VAL HG1 . 15465 1 656 . 1 1 57 57 VAL HG13 H 1 0.86 0.02 . 1 . . . . 57 VAL HG1 . 15465 1 657 . 1 1 57 57 VAL HG21 H 1 0.42 0.02 . 1 . . . . 57 VAL HG2 . 15465 1 658 . 1 1 57 57 VAL HG22 H 1 0.42 0.02 . 1 . . . . 57 VAL HG2 . 15465 1 659 . 1 1 57 57 VAL HG23 H 1 0.42 0.02 . 1 . . . . 57 VAL HG2 . 15465 1 660 . 1 1 57 57 VAL C C 13 174.61 0.05 . 1 . . . . 57 VAL C . 15465 1 661 . 1 1 57 57 VAL CA C 13 61.68 0.05 . 1 . . . . 57 VAL CA . 15465 1 662 . 1 1 57 57 VAL CB C 13 33.88 0.05 . 1 . . . . 57 VAL CB . 15465 1 663 . 1 1 57 57 VAL CG1 C 13 21.78 0.05 . 1 . . . . 57 VAL CG1 . 15465 1 664 . 1 1 57 57 VAL CG2 C 13 21.76 0.05 . 1 . . . . 57 VAL CG2 . 15465 1 665 . 1 1 57 57 VAL N N 15 129.96 0.05 . 1 . . . . 57 VAL N . 15465 1 666 . 1 1 58 58 LYS H H 1 7.86 0.02 . 1 . . . . 58 LYS H . 15465 1 667 . 1 1 58 58 LYS HA H 1 5.12 0.02 . 1 . . . . 58 LYS HA . 15465 1 668 . 1 1 58 58 LYS HB2 H 1 1.65 0.02 . 1 . . . . 58 LYS HB2 . 15465 1 669 . 1 1 58 58 LYS HB3 H 1 1.42 0.02 . 1 . . . . 58 LYS HB3 . 15465 1 670 . 1 1 58 58 LYS HD2 H 1 1.44 0.02 . 1 . . . . 58 LYS HD2 . 15465 1 671 . 1 1 58 58 LYS HD3 H 1 1.44 0.02 . 1 . . . . 58 LYS HD3 . 15465 1 672 . 1 1 58 58 LYS HE2 H 1 2.81 0.02 . 1 . . . . 58 LYS HE2 . 15465 1 673 . 1 1 58 58 LYS HE3 H 1 2.81 0.02 . 1 . . . . 58 LYS HE3 . 15465 1 674 . 1 1 58 58 LYS HG2 H 1 1.41 0.02 . 2 . . . . 58 LYS HG2 . 15465 1 675 . 1 1 58 58 LYS HG3 H 1 1.21 0.02 . 2 . . . . 58 LYS HG3 . 15465 1 676 . 1 1 58 58 LYS C C 13 175.38 0.05 . 1 . . . . 58 LYS C . 15465 1 677 . 1 1 58 58 LYS CA C 13 55.20 0.05 . 1 . . . . 58 LYS CA . 15465 1 678 . 1 1 58 58 LYS CB C 13 34.67 0.05 . 1 . . . . 58 LYS CB . 15465 1 679 . 1 1 58 58 LYS CD C 13 29.03 0.05 . 1 . . . . 58 LYS CD . 15465 1 680 . 1 1 58 58 LYS CE C 13 42.06 0.05 . 1 . . . . 58 LYS CE . 15465 1 681 . 1 1 58 58 LYS CG C 13 25.41 0.05 . 1 . . . . 58 LYS CG . 15465 1 682 . 1 1 58 58 LYS N N 15 124.79 0.05 . 1 . . . . 58 LYS N . 15465 1 683 . 1 1 59 59 PHE H H 1 9.27 0.02 . 1 . . . . 59 PHE H . 15465 1 684 . 1 1 59 59 PHE HA H 1 4.96 0.02 . 1 . . . . 59 PHE HA . 15465 1 685 . 1 1 59 59 PHE HB2 H 1 2.76 0.02 . 1 . . . . 59 PHE HB2 . 15465 1 686 . 1 1 59 59 PHE HB3 H 1 2.53 0.02 . 1 . . . . 59 PHE HB3 . 15465 1 687 . 1 1 59 59 PHE HD1 H 1 6.99 0.02 . 1 . . . . 59 PHE HD1 . 15465 1 688 . 1 1 59 59 PHE HD2 H 1 6.99 0.02 . 1 . . . . 59 PHE HD2 . 15465 1 689 . 1 1 59 59 PHE HE1 H 1 6.85 0.02 . 1 . . . . 59 PHE HE1 . 15465 1 690 . 1 1 59 59 PHE HE2 H 1 6.85 0.02 . 1 . . . . 59 PHE HE2 . 15465 1 691 . 1 1 59 59 PHE HZ H 1 7.03 0.02 . 1 . . . . 59 PHE HZ . 15465 1 692 . 1 1 59 59 PHE C C 13 173.95 0.05 . 1 . . . . 59 PHE C . 15465 1 693 . 1 1 59 59 PHE CA C 13 55.91 0.05 . 1 . . . . 59 PHE CA . 15465 1 694 . 1 1 59 59 PHE CB C 13 42.95 0.05 . 1 . . . . 59 PHE CB . 15465 1 695 . 1 1 59 59 PHE CD1 C 13 132.11 0.05 . 1 . . . . 59 PHE CD1 . 15465 1 696 . 1 1 59 59 PHE CD2 C 13 132.11 0.05 . 1 . . . . 59 PHE CD2 . 15465 1 697 . 1 1 59 59 PHE CE1 C 13 131.92 0.05 . 1 . . . . 59 PHE CE1 . 15465 1 698 . 1 1 59 59 PHE CE2 C 13 131.92 0.05 . 1 . . . . 59 PHE CE2 . 15465 1 699 . 1 1 59 59 PHE CZ C 13 130.37 0.05 . 1 . . . . 59 PHE CZ . 15465 1 700 . 1 1 59 59 PHE N N 15 118.27 0.05 . 1 . . . . 59 PHE N . 15465 1 701 . 1 1 60 60 LYS H H 1 9.17 0.02 . 1 . . . . 60 LYS H . 15465 1 702 . 1 1 60 60 LYS HA H 1 4.91 0.02 . 1 . . . . 60 LYS HA . 15465 1 703 . 1 1 60 60 LYS HB2 H 1 1.65 0.02 . 1 . . . . 60 LYS HB2 . 15465 1 704 . 1 1 60 60 LYS HB3 H 1 1.84 0.02 . 1 . . . . 60 LYS HB3 . 15465 1 705 . 1 1 60 60 LYS HD2 H 1 1.61 0.02 . 2 . . . . 60 LYS HD2 . 15465 1 706 . 1 1 60 60 LYS HD3 H 1 1.49 0.02 . 2 . . . . 60 LYS HD3 . 15465 1 707 . 1 1 60 60 LYS HE2 H 1 2.86 0.02 . 1 . . . . 60 LYS HE2 . 15465 1 708 . 1 1 60 60 LYS HE3 H 1 2.86 0.02 . 1 . . . . 60 LYS HE3 . 15465 1 709 . 1 1 60 60 LYS HG2 H 1 1.23 0.02 . 2 . . . . 60 LYS HG2 . 15465 1 710 . 1 1 60 60 LYS HG3 H 1 1.06 0.02 . 2 . . . . 60 LYS HG3 . 15465 1 711 . 1 1 60 60 LYS C C 13 176.23 0.05 . 1 . . . . 60 LYS C . 15465 1 712 . 1 1 60 60 LYS CA C 13 53.91 0.05 . 1 . . . . 60 LYS CA . 15465 1 713 . 1 1 60 60 LYS CB C 13 35.17 0.05 . 1 . . . . 60 LYS CB . 15465 1 714 . 1 1 60 60 LYS CD C 13 29.14 0.05 . 1 . . . . 60 LYS CD . 15465 1 715 . 1 1 60 60 LYS CE C 13 42.05 0.05 . 1 . . . . 60 LYS CE . 15465 1 716 . 1 1 60 60 LYS CG C 13 24.67 0.05 . 1 . . . . 60 LYS CG . 15465 1 717 . 1 1 60 60 LYS N N 15 121.96 0.05 . 1 . . . . 60 LYS N . 15465 1 718 . 1 1 61 61 VAL H H 1 9.40 0.02 . 1 . . . . 61 VAL H . 15465 1 719 . 1 1 61 61 VAL HA H 1 4.17 0.02 . 1 . . . . 61 VAL HA . 15465 1 720 . 1 1 61 61 VAL HB H 1 2.41 0.02 . 1 . . . . 61 VAL HB . 15465 1 721 . 1 1 61 61 VAL HG11 H 1 0.65 0.02 . 1 . . . . 61 VAL HG1 . 15465 1 722 . 1 1 61 61 VAL HG12 H 1 0.65 0.02 . 1 . . . . 61 VAL HG1 . 15465 1 723 . 1 1 61 61 VAL HG13 H 1 0.65 0.02 . 1 . . . . 61 VAL HG1 . 15465 1 724 . 1 1 61 61 VAL HG21 H 1 0.78 0.02 . 1 . . . . 61 VAL HG2 . 15465 1 725 . 1 1 61 61 VAL HG22 H 1 0.78 0.02 . 1 . . . . 61 VAL HG2 . 15465 1 726 . 1 1 61 61 VAL HG23 H 1 0.78 0.02 . 1 . . . . 61 VAL HG2 . 15465 1 727 . 1 1 61 61 VAL C C 13 175.50 0.05 . 1 . . . . 61 VAL C . 15465 1 728 . 1 1 61 61 VAL CA C 13 61.98 0.05 . 1 . . . . 61 VAL CA . 15465 1 729 . 1 1 61 61 VAL CB C 13 29.49 0.05 . 1 . . . . 61 VAL CB . 15465 1 730 . 1 1 61 61 VAL CG1 C 13 22.96 0.05 . 1 . . . . 61 VAL CG1 . 15465 1 731 . 1 1 61 61 VAL CG2 C 13 20.47 0.05 . 1 . . . . 61 VAL CG2 . 15465 1 732 . 1 1 61 61 VAL N N 15 127.14 0.05 . 1 . . . . 61 VAL N . 15465 1 733 . 1 1 62 62 VAL H H 1 8.39 0.02 . 1 . . . . 62 VAL H . 15465 1 734 . 1 1 62 62 VAL HA H 1 3.65 0.02 . 1 . . . . 62 VAL HA . 15465 1 735 . 1 1 62 62 VAL HB H 1 1.71 0.02 . 1 . . . . 62 VAL HB . 15465 1 736 . 1 1 62 62 VAL HG11 H 1 0.91 0.02 . 1 . . . . 62 VAL HG1 . 15465 1 737 . 1 1 62 62 VAL HG12 H 1 0.91 0.02 . 1 . . . . 62 VAL HG1 . 15465 1 738 . 1 1 62 62 VAL HG13 H 1 0.91 0.02 . 1 . . . . 62 VAL HG1 . 15465 1 739 . 1 1 62 62 VAL HG21 H 1 0.89 0.02 . 1 . . . . 62 VAL HG2 . 15465 1 740 . 1 1 62 62 VAL HG22 H 1 0.89 0.02 . 1 . . . . 62 VAL HG2 . 15465 1 741 . 1 1 62 62 VAL HG23 H 1 0.89 0.02 . 1 . . . . 62 VAL HG2 . 15465 1 742 . 1 1 62 62 VAL C C 13 176.44 0.05 . 1 . . . . 62 VAL C . 15465 1 743 . 1 1 62 62 VAL CA C 13 64.93 0.05 . 1 . . . . 62 VAL CA . 15465 1 744 . 1 1 62 62 VAL CB C 13 32.13 0.05 . 1 . . . . 62 VAL CB . 15465 1 745 . 1 1 62 62 VAL CG1 C 13 20.96 0.05 . 1 . . . . 62 VAL CG1 . 15465 1 746 . 1 1 62 62 VAL CG2 C 13 22.42 0.05 . 1 . . . . 62 VAL CG2 . 15465 1 747 . 1 1 62 62 VAL N N 15 132.84 0.05 . 1 . . . . 62 VAL N . 15465 1 748 . 1 1 63 63 GLN H H 1 7.47 0.02 . 1 . . . . 63 GLN H . 15465 1 749 . 1 1 63 63 GLN HA H 1 4.27 0.02 . 1 . . . . 63 GLN HA . 15465 1 750 . 1 1 63 63 GLN HB2 H 1 1.67 0.02 . 1 . . . . 63 GLN HB2 . 15465 1 751 . 1 1 63 63 GLN HB3 H 1 1.67 0.02 . 1 . . . . 63 GLN HB3 . 15465 1 752 . 1 1 63 63 GLN HE21 H 1 6.74 0.02 . 2 . . . . 63 GLN HE21 . 15465 1 753 . 1 1 63 63 GLN HE22 H 1 7.32 0.02 . 2 . . . . 63 GLN HE22 . 15465 1 754 . 1 1 63 63 GLN HG2 H 1 2.14 0.02 . 2 . . . . 63 GLN HG2 . 15465 1 755 . 1 1 63 63 GLN HG3 H 1 1.93 0.02 . 2 . . . . 63 GLN HG3 . 15465 1 756 . 1 1 63 63 GLN C C 13 172.29 0.05 . 1 . . . . 63 GLN C . 15465 1 757 . 1 1 63 63 GLN CA C 13 56.64 0.05 . 1 . . . . 63 GLN CA . 15465 1 758 . 1 1 63 63 GLN CB C 13 32.63 0.05 . 1 . . . . 63 GLN CB . 15465 1 759 . 1 1 63 63 GLN CG C 13 33.68 0.05 . 1 . . . . 63 GLN CG . 15465 1 760 . 1 1 63 63 GLN N N 15 114.50 0.05 . 1 . . . . 63 GLN N . 15465 1 761 . 1 1 63 63 GLN NE2 N 15 110.80 0.05 . 1 . . . . 63 GLN NE2 . 15465 1 762 . 1 1 64 64 ALA H H 1 8.20 0.02 . 1 . . . . 64 ALA H . 15465 1 763 . 1 1 64 64 ALA HA H 1 4.83 0.02 . 1 . . . . 64 ALA HA . 15465 1 764 . 1 1 64 64 ALA HB1 H 1 1.17 0.02 . 1 . . . . 64 ALA HB . 15465 1 765 . 1 1 64 64 ALA HB2 H 1 1.17 0.02 . 1 . . . . 64 ALA HB . 15465 1 766 . 1 1 64 64 ALA HB3 H 1 1.17 0.02 . 1 . . . . 64 ALA HB . 15465 1 767 . 1 1 64 64 ALA C C 13 174.27 0.05 . 1 . . . . 64 ALA C . 15465 1 768 . 1 1 64 64 ALA CA C 13 50.80 0.05 . 1 . . . . 64 ALA CA . 15465 1 769 . 1 1 64 64 ALA CB C 13 20.10 0.05 . 1 . . . . 64 ALA CB . 15465 1 770 . 1 1 64 64 ALA N N 15 131.41 0.05 . 1 . . . . 64 ALA N . 15465 1 771 . 1 1 65 65 TYR H H 1 8.86 0.02 . 1 . . . . 65 TYR H . 15465 1 772 . 1 1 65 65 TYR HA H 1 4.54 0.02 . 1 . . . . 65 TYR HA . 15465 1 773 . 1 1 65 65 TYR HB2 H 1 2.87 0.02 . 1 . . . . 65 TYR HB2 . 15465 1 774 . 1 1 65 65 TYR HB3 H 1 2.72 0.02 . 1 . . . . 65 TYR HB3 . 15465 1 775 . 1 1 65 65 TYR HD1 H 1 7.04 0.02 . 1 . . . . 65 TYR HD1 . 15465 1 776 . 1 1 65 65 TYR HD2 H 1 7.04 0.02 . 1 . . . . 65 TYR HD2 . 15465 1 777 . 1 1 65 65 TYR HE1 H 1 6.70 0.02 . 1 . . . . 65 TYR HE1 . 15465 1 778 . 1 1 65 65 TYR HE2 H 1 6.70 0.02 . 1 . . . . 65 TYR HE2 . 15465 1 779 . 1 1 65 65 TYR CA C 13 54.27 0.05 . 1 . . . . 65 TYR CA . 15465 1 780 . 1 1 65 65 TYR CB C 13 41.36 0.05 . 1 . . . . 65 TYR CB . 15465 1 781 . 1 1 65 65 TYR CD1 C 13 132.54 0.05 . 1 . . . . 65 TYR CD1 . 15465 1 782 . 1 1 65 65 TYR CD2 C 13 132.54 0.05 . 1 . . . . 65 TYR CD2 . 15465 1 783 . 1 1 65 65 TYR CE1 C 13 118.01 0.05 . 1 . . . . 65 TYR CE1 . 15465 1 784 . 1 1 65 65 TYR CE2 C 13 118.01 0.05 . 1 . . . . 65 TYR CE2 . 15465 1 785 . 1 1 65 65 TYR N N 15 124.14 0.05 . 1 . . . . 65 TYR N . 15465 1 786 . 1 1 66 66 PRO HA H 1 4.12 0.02 . 1 . . . . 66 PRO HA . 15465 1 787 . 1 1 66 66 PRO HB2 H 1 1.82 0.02 . 1 . . . . 66 PRO HB2 . 15465 1 788 . 1 1 66 66 PRO HB3 H 1 1.95 0.02 . 1 . . . . 66 PRO HB3 . 15465 1 789 . 1 1 66 66 PRO HD2 H 1 3.39 0.02 . 2 . . . . 66 PRO HD2 . 15465 1 790 . 1 1 66 66 PRO HD3 H 1 3.09 0.02 . 2 . . . . 66 PRO HD3 . 15465 1 791 . 1 1 66 66 PRO HG2 H 1 1.67 0.02 . 2 . . . . 66 PRO HG2 . 15465 1 792 . 1 1 66 66 PRO HG3 H 1 1.51 0.02 . 2 . . . . 66 PRO HG3 . 15465 1 793 . 1 1 66 66 PRO CA C 13 63.45 0.05 . 1 . . . . 66 PRO CA . 15465 1 794 . 1 1 66 66 PRO CB C 13 34.17 0.05 . 1 . . . . 66 PRO CB . 15465 1 795 . 1 1 66 66 PRO CD C 13 49.03 0.05 . 1 . . . . 66 PRO CD . 15465 1 796 . 1 1 66 66 PRO CG C 13 24.74 0.05 . 1 . . . . 66 PRO CG . 15465 1 797 . 1 1 67 67 SER H H 1 7.38 0.02 . 1 . . . . 67 SER H . 15465 1 798 . 1 1 67 67 SER HA H 1 4.72 0.02 . 1 . . . . 67 SER HA . 15465 1 799 . 1 1 67 67 SER HB2 H 1 3.80 0.02 . 1 . . . . 67 SER HB2 . 15465 1 800 . 1 1 67 67 SER HB3 H 1 3.98 0.02 . 1 . . . . 67 SER HB3 . 15465 1 801 . 1 1 67 67 SER CA C 13 54.25 0.05 . 1 . . . . 67 SER CA . 15465 1 802 . 1 1 67 67 SER CB C 13 64.53 0.05 . 1 . . . . 67 SER CB . 15465 1 803 . 1 1 67 67 SER N N 15 106.20 0.05 . 1 . . . . 67 SER N . 15465 1 804 . 1 1 68 68 PRO HA H 1 4.88 0.02 . 1 . . . . 68 PRO HA . 15465 1 805 . 1 1 68 68 PRO HB2 H 1 1.76 0.02 . 1 . . . . 68 PRO HB2 . 15465 1 806 . 1 1 68 68 PRO HB3 H 1 1.99 0.02 . 1 . . . . 68 PRO HB3 . 15465 1 807 . 1 1 68 68 PRO HD2 H 1 3.54 0.02 . 2 . . . . 68 PRO HD2 . 15465 1 808 . 1 1 68 68 PRO HD3 H 1 3.49 0.02 . 2 . . . . 68 PRO HD3 . 15465 1 809 . 1 1 68 68 PRO HG2 H 1 1.75 0.02 . 1 . . . . 68 PRO HG2 . 15465 1 810 . 1 1 68 68 PRO HG3 H 1 1.75 0.02 . 1 . . . . 68 PRO HG3 . 15465 1 811 . 1 1 68 68 PRO CA C 13 62.99 0.05 . 1 . . . . 68 PRO CA . 15465 1 812 . 1 1 68 68 PRO CB C 13 35.22 0.05 . 1 . . . . 68 PRO CB . 15465 1 813 . 1 1 68 68 PRO CD C 13 50.26 0.05 . 1 . . . . 68 PRO CD . 15465 1 814 . 1 1 68 68 PRO CG C 13 25.12 0.05 . 1 . . . . 68 PRO CG . 15465 1 815 . 1 1 69 69 LEU H H 1 8.96 0.02 . 1 . . . . 69 LEU H . 15465 1 816 . 1 1 69 69 LEU HA H 1 4.43 0.02 . 1 . . . . 69 LEU HA . 15465 1 817 . 1 1 69 69 LEU HB2 H 1 1.91 0.02 . 1 . . . . 69 LEU HB2 . 15465 1 818 . 1 1 69 69 LEU HB3 H 1 1.69 0.02 . 1 . . . . 69 LEU HB3 . 15465 1 819 . 1 1 69 69 LEU HD11 H 1 0.76 0.02 . 1 . . . . 69 LEU HD1 . 15465 1 820 . 1 1 69 69 LEU HD12 H 1 0.76 0.02 . 1 . . . . 69 LEU HD1 . 15465 1 821 . 1 1 69 69 LEU HD13 H 1 0.76 0.02 . 1 . . . . 69 LEU HD1 . 15465 1 822 . 1 1 69 69 LEU HD21 H 1 0.76 0.02 . 1 . . . . 69 LEU HD2 . 15465 1 823 . 1 1 69 69 LEU HD22 H 1 0.76 0.02 . 1 . . . . 69 LEU HD2 . 15465 1 824 . 1 1 69 69 LEU HD23 H 1 0.76 0.02 . 1 . . . . 69 LEU HD2 . 15465 1 825 . 1 1 69 69 LEU HG H 1 1.31 0.02 . 1 . . . . 69 LEU HG . 15465 1 826 . 1 1 69 69 LEU C C 13 174.57 0.05 . 1 . . . . 69 LEU C . 15465 1 827 . 1 1 69 69 LEU CA C 13 53.90 0.05 . 1 . . . . 69 LEU CA . 15465 1 828 . 1 1 69 69 LEU CB C 13 44.21 0.05 . 1 . . . . 69 LEU CB . 15465 1 829 . 1 1 69 69 LEU CD1 C 13 24.88 0.05 . 1 . . . . 69 LEU CD1 . 15465 1 830 . 1 1 69 69 LEU CD2 C 13 24.88 0.05 . 1 . . . . 69 LEU CD2 . 15465 1 831 . 1 1 69 69 LEU CG C 13 26.77 0.05 . 1 . . . . 69 LEU CG . 15465 1 832 . 1 1 69 69 LEU N N 15 120.48 0.05 . 1 . . . . 69 LEU N . 15465 1 833 . 1 1 70 70 ARG H H 1 8.13 0.02 . 1 . . . . 70 ARG H . 15465 1 834 . 1 1 70 70 ARG HA H 1 4.93 0.02 . 1 . . . . 70 ARG HA . 15465 1 835 . 1 1 70 70 ARG HB2 H 1 1.62 0.02 . 1 . . . . 70 ARG HB2 . 15465 1 836 . 1 1 70 70 ARG HB3 H 1 1.45 0.02 . 1 . . . . 70 ARG HB3 . 15465 1 837 . 1 1 70 70 ARG HD2 H 1 3.04 0.02 . 1 . . . . 70 ARG HD2 . 15465 1 838 . 1 1 70 70 ARG HD3 H 1 3.04 0.02 . 1 . . . . 70 ARG HD3 . 15465 1 839 . 1 1 70 70 ARG HG2 H 1 1.21 0.02 . 1 . . . . 70 ARG HG2 . 15465 1 840 . 1 1 70 70 ARG HG3 H 1 1.21 0.02 . 1 . . . . 70 ARG HG3 . 15465 1 841 . 1 1 70 70 ARG C C 13 175.46 0.05 . 1 . . . . 70 ARG C . 15465 1 842 . 1 1 70 70 ARG CA C 13 54.04 0.05 . 1 . . . . 70 ARG CA . 15465 1 843 . 1 1 70 70 ARG CB C 13 30.55 0.05 . 1 . . . . 70 ARG CB . 15465 1 844 . 1 1 70 70 ARG CD C 13 43.38 0.05 . 1 . . . . 70 ARG CD . 15465 1 845 . 1 1 70 70 ARG CG C 13 27.33 0.05 . 1 . . . . 70 ARG CG . 15465 1 846 . 1 1 70 70 ARG N N 15 125.18 0.05 . 1 . . . . 70 ARG N . 15465 1 847 . 1 1 71 71 VAL H H 1 8.45 0.02 . 1 . . . . 71 VAL H . 15465 1 848 . 1 1 71 71 VAL HA H 1 3.41 0.02 . 1 . . . . 71 VAL HA . 15465 1 849 . 1 1 71 71 VAL HB H 1 2.24 0.02 . 1 . . . . 71 VAL HB . 15465 1 850 . 1 1 71 71 VAL HG11 H 1 0.70 0.02 . 1 . . . . 71 VAL HG1 . 15465 1 851 . 1 1 71 71 VAL HG12 H 1 0.70 0.02 . 1 . . . . 71 VAL HG1 . 15465 1 852 . 1 1 71 71 VAL HG13 H 1 0.70 0.02 . 1 . . . . 71 VAL HG1 . 15465 1 853 . 1 1 71 71 VAL HG21 H 1 0.83 0.02 . 1 . . . . 71 VAL HG2 . 15465 1 854 . 1 1 71 71 VAL HG22 H 1 0.83 0.02 . 1 . . . . 71 VAL HG2 . 15465 1 855 . 1 1 71 71 VAL HG23 H 1 0.83 0.02 . 1 . . . . 71 VAL HG2 . 15465 1 856 . 1 1 71 71 VAL C C 13 175.46 0.05 . 1 . . . . 71 VAL C . 15465 1 857 . 1 1 71 71 VAL CA C 13 65.21 0.05 . 1 . . . . 71 VAL CA . 15465 1 858 . 1 1 71 71 VAL CB C 13 29.84 0.05 . 1 . . . . 71 VAL CB . 15465 1 859 . 1 1 71 71 VAL CG1 C 13 21.26 0.05 . 1 . . . . 71 VAL CG1 . 15465 1 860 . 1 1 71 71 VAL CG2 C 13 22.88 0.05 . 1 . . . . 71 VAL CG2 . 15465 1 861 . 1 1 71 71 VAL N N 15 128.17 0.05 . 1 . . . . 71 VAL N . 15465 1 862 . 1 1 72 72 GLU H H 1 8.62 0.02 . 1 . . . . 72 GLU H . 15465 1 863 . 1 1 72 72 GLU HA H 1 4.87 0.02 . 1 . . . . 72 GLU HA . 15465 1 864 . 1 1 72 72 GLU HB2 H 1 1.98 0.02 . 1 . . . . 72 GLU HB2 . 15465 1 865 . 1 1 72 72 GLU HB3 H 1 2.20 0.02 . 1 . . . . 72 GLU HB3 . 15465 1 866 . 1 1 72 72 GLU HG2 H 1 2.21 0.02 . 2 . . . . 72 GLU HG2 . 15465 1 867 . 1 1 72 72 GLU HG3 H 1 2.13 0.02 . 2 . . . . 72 GLU HG3 . 15465 1 868 . 1 1 72 72 GLU C C 13 176.96 0.05 . 1 . . . . 72 GLU C . 15465 1 869 . 1 1 72 72 GLU CA C 13 54.33 0.05 . 1 . . . . 72 GLU CA . 15465 1 870 . 1 1 72 72 GLU CB C 13 33.28 0.05 . 1 . . . . 72 GLU CB . 15465 1 871 . 1 1 72 72 GLU CG C 13 35.80 0.05 . 1 . . . . 72 GLU CG . 15465 1 872 . 1 1 72 72 GLU N N 15 127.67 0.05 . 1 . . . . 72 GLU N . 15465 1 873 . 1 1 73 73 ASP H H 1 8.70 0.02 . 1 . . . . 73 ASP H . 15465 1 874 . 1 1 73 73 ASP HA H 1 4.15 0.02 . 1 . . . . 73 ASP HA . 15465 1 875 . 1 1 73 73 ASP HB2 H 1 2.63 0.02 . 2 . . . . 73 ASP HB2 . 15465 1 876 . 1 1 73 73 ASP HB3 H 1 2.59 0.02 . 2 . . . . 73 ASP HB3 . 15465 1 877 . 1 1 73 73 ASP C C 13 177.46 0.05 . 1 . . . . 73 ASP C . 15465 1 878 . 1 1 73 73 ASP CA C 13 57.62 0.05 . 1 . . . . 73 ASP CA . 15465 1 879 . 1 1 73 73 ASP CB C 13 40.36 0.05 . 1 . . . . 73 ASP CB . 15465 1 880 . 1 1 73 73 ASP N N 15 121.14 0.05 . 1 . . . . 73 ASP N . 15465 1 881 . 1 1 74 74 ARG H H 1 7.76 0.02 . 1 . . . . 74 ARG H . 15465 1 882 . 1 1 74 74 ARG HA H 1 4.28 0.02 . 1 . . . . 74 ARG HA . 15465 1 883 . 1 1 74 74 ARG HB2 H 1 1.94 0.02 . 2 . . . . 74 ARG HB2 . 15465 1 884 . 1 1 74 74 ARG HB3 H 1 1.78 0.02 . 2 . . . . 74 ARG HB3 . 15465 1 885 . 1 1 74 74 ARG HD2 H 1 3.13 0.02 . 1 . . . . 74 ARG HD2 . 15465 1 886 . 1 1 74 74 ARG HD3 H 1 3.13 0.02 . 1 . . . . 74 ARG HD3 . 15465 1 887 . 1 1 74 74 ARG HG2 H 1 1.55 0.02 . 1 . . . . 74 ARG HG2 . 15465 1 888 . 1 1 74 74 ARG HG3 H 1 1.55 0.02 . 1 . . . . 74 ARG HG3 . 15465 1 889 . 1 1 74 74 ARG C C 13 176.51 0.05 . 1 . . . . 74 ARG C . 15465 1 890 . 1 1 74 74 ARG CA C 13 55.45 0.05 . 1 . . . . 74 ARG CA . 15465 1 891 . 1 1 74 74 ARG CB C 13 29.99 0.05 . 1 . . . . 74 ARG CB . 15465 1 892 . 1 1 74 74 ARG CD C 13 43.34 0.05 . 1 . . . . 74 ARG CD . 15465 1 893 . 1 1 74 74 ARG CG C 13 26.96 0.05 . 1 . . . . 74 ARG CG . 15465 1 894 . 1 1 74 74 ARG N N 15 112.89 0.05 . 1 . . . . 74 ARG N . 15465 1 895 . 1 1 75 75 THR H H 1 7.70 0.02 . 1 . . . . 75 THR H . 15465 1 896 . 1 1 75 75 THR HA H 1 4.02 0.02 . 1 . . . . 75 THR HA . 15465 1 897 . 1 1 75 75 THR HB H 1 3.89 0.02 . 1 . . . . 75 THR HB . 15465 1 898 . 1 1 75 75 THR HG21 H 1 1.00 0.02 . 1 . . . . 75 THR HG2 . 15465 1 899 . 1 1 75 75 THR HG22 H 1 1.00 0.02 . 1 . . . . 75 THR HG2 . 15465 1 900 . 1 1 75 75 THR HG23 H 1 1.00 0.02 . 1 . . . . 75 THR HG2 . 15465 1 901 . 1 1 75 75 THR C C 13 173.81 0.05 . 1 . . . . 75 THR C . 15465 1 902 . 1 1 75 75 THR CA C 13 64.06 0.05 . 1 . . . . 75 THR CA . 15465 1 903 . 1 1 75 75 THR CB C 13 69.35 0.05 . 1 . . . . 75 THR CB . 15465 1 904 . 1 1 75 75 THR CG2 C 13 22.93 0.05 . 1 . . . . 75 THR CG2 . 15465 1 905 . 1 1 75 75 THR N N 15 120.65 0.05 . 1 . . . . 75 THR N . 15465 1 906 . 1 1 76 76 LYS H H 1 8.52 0.02 . 1 . . . . 76 LYS H . 15465 1 907 . 1 1 76 76 LYS HA H 1 4.27 0.02 . 1 . . . . 76 LYS HA . 15465 1 908 . 1 1 76 76 LYS HB2 H 1 1.83 0.02 . 1 . . . . 76 LYS HB2 . 15465 1 909 . 1 1 76 76 LYS HB3 H 1 1.83 0.02 . 1 . . . . 76 LYS HB3 . 15465 1 910 . 1 1 76 76 LYS HD2 H 1 1.60 0.02 . 1 . . . . 76 LYS HD2 . 15465 1 911 . 1 1 76 76 LYS HD3 H 1 1.60 0.02 . 1 . . . . 76 LYS HD3 . 15465 1 912 . 1 1 76 76 LYS HE2 H 1 2.91 0.02 . 1 . . . . 76 LYS HE2 . 15465 1 913 . 1 1 76 76 LYS HE3 H 1 2.91 0.02 . 1 . . . . 76 LYS HE3 . 15465 1 914 . 1 1 76 76 LYS HG2 H 1 1.44 0.02 . 2 . . . . 76 LYS HG2 . 15465 1 915 . 1 1 76 76 LYS HG3 H 1 1.30 0.02 . 2 . . . . 76 LYS HG3 . 15465 1 916 . 1 1 76 76 LYS C C 13 174.56 0.05 . 1 . . . . 76 LYS C . 15465 1 917 . 1 1 76 76 LYS CA C 13 56.28 0.05 . 1 . . . . 76 LYS CA . 15465 1 918 . 1 1 76 76 LYS CB C 13 33.12 0.05 . 1 . . . . 76 LYS CB . 15465 1 919 . 1 1 76 76 LYS CD C 13 29.40 0.05 . 1 . . . . 76 LYS CD . 15465 1 920 . 1 1 76 76 LYS CE C 13 41.96 0.05 . 1 . . . . 76 LYS CE . 15465 1 921 . 1 1 76 76 LYS CG C 13 24.71 0.05 . 1 . . . . 76 LYS CG . 15465 1 922 . 1 1 76 76 LYS N N 15 130.95 0.05 . 1 . . . . 76 LYS N . 15465 1 923 . 1 1 77 77 ILE H H 1 8.43 0.02 . 1 . . . . 77 ILE H . 15465 1 924 . 1 1 77 77 ILE HA H 1 4.85 0.02 . 1 . . . . 77 ILE HA . 15465 1 925 . 1 1 77 77 ILE HB H 1 1.70 0.02 . 1 . . . . 77 ILE HB . 15465 1 926 . 1 1 77 77 ILE HD11 H 1 0.58 0.02 . 1 . . . . 77 ILE HD1 . 15465 1 927 . 1 1 77 77 ILE HD12 H 1 0.58 0.02 . 1 . . . . 77 ILE HD1 . 15465 1 928 . 1 1 77 77 ILE HD13 H 1 0.58 0.02 . 1 . . . . 77 ILE HD1 . 15465 1 929 . 1 1 77 77 ILE HG12 H 1 1.44 0.02 . 2 . . . . 77 ILE HG12 . 15465 1 930 . 1 1 77 77 ILE HG13 H 1 1.00 0.02 . 2 . . . . 77 ILE HG13 . 15465 1 931 . 1 1 77 77 ILE HG21 H 1 0.60 0.02 . 1 . . . . 77 ILE HG2 . 15465 1 932 . 1 1 77 77 ILE HG22 H 1 0.60 0.02 . 1 . . . . 77 ILE HG2 . 15465 1 933 . 1 1 77 77 ILE HG23 H 1 0.60 0.02 . 1 . . . . 77 ILE HG2 . 15465 1 934 . 1 1 77 77 ILE C C 13 174.65 0.05 . 1 . . . . 77 ILE C . 15465 1 935 . 1 1 77 77 ILE CA C 13 59.82 0.05 . 1 . . . . 77 ILE CA . 15465 1 936 . 1 1 77 77 ILE CB C 13 38.28 0.05 . 1 . . . . 77 ILE CB . 15465 1 937 . 1 1 77 77 ILE CD1 C 13 12.13 0.05 . 1 . . . . 77 ILE CD1 . 15465 1 938 . 1 1 77 77 ILE CG1 C 13 27.21 0.05 . 1 . . . . 77 ILE CG1 . 15465 1 939 . 1 1 77 77 ILE CG2 C 13 16.98 0.05 . 1 . . . . 77 ILE CG2 . 15465 1 940 . 1 1 77 77 ILE N N 15 128.02 0.05 . 1 . . . . 77 ILE N . 15465 1 941 . 1 1 78 78 THR H H 1 8.87 0.02 . 1 . . . . 78 THR H . 15465 1 942 . 1 1 78 78 THR HA H 1 4.47 0.02 . 1 . . . . 78 THR HA . 15465 1 943 . 1 1 78 78 THR HB H 1 3.92 0.02 . 1 . . . . 78 THR HB . 15465 1 944 . 1 1 78 78 THR HG21 H 1 1.12 0.02 . 1 . . . . 78 THR HG2 . 15465 1 945 . 1 1 78 78 THR HG22 H 1 1.12 0.02 . 1 . . . . 78 THR HG2 . 15465 1 946 . 1 1 78 78 THR HG23 H 1 1.12 0.02 . 1 . . . . 78 THR HG2 . 15465 1 947 . 1 1 78 78 THR C C 13 172.76 0.05 . 1 . . . . 78 THR C . 15465 1 948 . 1 1 78 78 THR CA C 13 60.74 0.05 . 1 . . . . 78 THR CA . 15465 1 949 . 1 1 78 78 THR CB C 13 71.32 0.05 . 1 . . . . 78 THR CB . 15465 1 950 . 1 1 78 78 THR CG2 C 13 22.30 0.05 . 1 . . . . 78 THR CG2 . 15465 1 951 . 1 1 78 78 THR N N 15 123.87 0.05 . 1 . . . . 78 THR N . 15465 1 952 . 1 1 79 79 LEU H H 1 8.82 0.02 . 1 . . . . 79 LEU H . 15465 1 953 . 1 1 79 79 LEU HA H 1 5.14 0.02 . 1 . . . . 79 LEU HA . 15465 1 954 . 1 1 79 79 LEU HB2 H 1 1.65 0.02 . 1 . . . . 79 LEU HB2 . 15465 1 955 . 1 1 79 79 LEU HB3 H 1 1.52 0.02 . 1 . . . . 79 LEU HB3 . 15465 1 956 . 1 1 79 79 LEU HD11 H 1 0.80 0.02 . 2 . . . . 79 LEU HD1 . 15465 1 957 . 1 1 79 79 LEU HD12 H 1 0.80 0.02 . 2 . . . . 79 LEU HD1 . 15465 1 958 . 1 1 79 79 LEU HD13 H 1 0.80 0.02 . 2 . . . . 79 LEU HD1 . 15465 1 959 . 1 1 79 79 LEU HD21 H 1 0.89 0.02 . 2 . . . . 79 LEU HD2 . 15465 1 960 . 1 1 79 79 LEU HD22 H 1 0.89 0.02 . 2 . . . . 79 LEU HD2 . 15465 1 961 . 1 1 79 79 LEU HD23 H 1 0.89 0.02 . 2 . . . . 79 LEU HD2 . 15465 1 962 . 1 1 79 79 LEU HG H 1 1.58 0.02 . 1 . . . . 79 LEU HG . 15465 1 963 . 1 1 79 79 LEU C C 13 176.61 0.05 . 1 . . . . 79 LEU C . 15465 1 964 . 1 1 79 79 LEU CA C 13 53.28 0.05 . 1 . . . . 79 LEU CA . 15465 1 965 . 1 1 79 79 LEU CB C 13 42.60 0.05 . 1 . . . . 79 LEU CB . 15465 1 966 . 1 1 79 79 LEU CD1 C 13 24.48 0.05 . 2 . . . . 79 LEU CD1 . 15465 1 967 . 1 1 79 79 LEU CD2 C 13 25.48 0.05 . 2 . . . . 79 LEU CD2 . 15465 1 968 . 1 1 79 79 LEU CG C 13 27.50 0.05 . 1 . . . . 79 LEU CG . 15465 1 969 . 1 1 79 79 LEU N N 15 127.07 0.05 . 1 . . . . 79 LEU N . 15465 1 970 . 1 1 80 80 VAL H H 1 8.80 0.02 . 1 . . . . 80 VAL H . 15465 1 971 . 1 1 80 80 VAL HA H 1 4.26 0.02 . 1 . . . . 80 VAL HA . 15465 1 972 . 1 1 80 80 VAL HB H 1 1.96 0.02 . 1 . . . . 80 VAL HB . 15465 1 973 . 1 1 80 80 VAL HG11 H 1 0.88 0.02 . 1 . . . . 80 VAL HG1 . 15465 1 974 . 1 1 80 80 VAL HG12 H 1 0.88 0.02 . 1 . . . . 80 VAL HG1 . 15465 1 975 . 1 1 80 80 VAL HG13 H 1 0.88 0.02 . 1 . . . . 80 VAL HG1 . 15465 1 976 . 1 1 80 80 VAL HG21 H 1 0.81 0.02 . 1 . . . . 80 VAL HG2 . 15465 1 977 . 1 1 80 80 VAL HG22 H 1 0.81 0.02 . 1 . . . . 80 VAL HG2 . 15465 1 978 . 1 1 80 80 VAL HG23 H 1 0.81 0.02 . 1 . . . . 80 VAL HG2 . 15465 1 979 . 1 1 80 80 VAL CA C 13 61.35 0.05 . 1 . . . . 80 VAL CA . 15465 1 980 . 1 1 80 80 VAL CB C 13 32.79 0.05 . 1 . . . . 80 VAL CB . 15465 1 981 . 1 1 80 80 VAL CG1 C 13 21.48 0.05 . 1 . . . . 80 VAL CG1 . 15465 1 982 . 1 1 80 80 VAL CG2 C 13 20.42 0.05 . 1 . . . . 80 VAL CG2 . 15465 1 983 . 1 1 80 80 VAL N N 15 124.12 0.05 . 1 . . . . 80 VAL N . 15465 1 984 . 1 1 81 81 THR H H 1 8.16 0.02 . 1 . . . . 81 THR H . 15465 1 985 . 1 1 81 81 THR HA H 1 4.41 0.02 . 1 . . . . 81 THR HA . 15465 1 986 . 1 1 81 81 THR HB H 1 4.26 0.02 . 1 . . . . 81 THR HB . 15465 1 987 . 1 1 81 81 THR HG21 H 1 1.13 0.02 . 1 . . . . 81 THR HG2 . 15465 1 988 . 1 1 81 81 THR HG22 H 1 1.13 0.02 . 1 . . . . 81 THR HG2 . 15465 1 989 . 1 1 81 81 THR HG23 H 1 1.13 0.02 . 1 . . . . 81 THR HG2 . 15465 1 990 . 1 1 81 81 THR CA C 13 60.80 0.05 . 1 . . . . 81 THR CA . 15465 1 991 . 1 1 81 81 THR CB C 13 69.65 0.05 . 1 . . . . 81 THR CB . 15465 1 992 . 1 1 81 81 THR CG2 C 13 21.55 0.05 . 1 . . . . 81 THR CG2 . 15465 1 993 . 1 1 81 81 THR N N 15 114.50 0.05 . 1 . . . . 81 THR N . 15465 1 994 . 1 1 83 83 PRO HA H 1 3.93 0.02 . 1 . . . . 83 PRO HA . 15465 1 995 . 1 1 83 83 PRO HB2 H 1 1.95 0.02 . 1 . . . . 83 PRO HB2 . 15465 1 996 . 1 1 83 83 PRO HB3 H 1 1.95 0.02 . 1 . . . . 83 PRO HB3 . 15465 1 997 . 1 1 83 83 PRO HD2 H 1 3.43 0.02 . 2 . . . . 83 PRO HD2 . 15465 1 998 . 1 1 83 83 PRO HD3 H 1 3.32 0.02 . 2 . . . . 83 PRO HD3 . 15465 1 999 . 1 1 83 83 PRO HG2 H 1 1.73 0.02 . 1 . . . . 83 PRO HG2 . 15465 1 1000 . 1 1 83 83 PRO HG3 H 1 1.73 0.02 . 1 . . . . 83 PRO HG3 . 15465 1 1001 . 1 1 83 83 PRO CA C 13 64.52 0.05 . 1 . . . . 83 PRO CA . 15465 1 1002 . 1 1 83 83 PRO CB C 13 34.14 0.05 . 1 . . . . 83 PRO CB . 15465 1 1003 . 1 1 83 83 PRO CD C 13 49.68 0.05 . 1 . . . . 83 PRO CD . 15465 1 1004 . 1 1 83 83 PRO CG C 13 24.92 0.05 . 1 . . . . 83 PRO CG . 15465 1 stop_ save_