data_16361 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16361 _Entry.Title ; NMR structure of the p62 PB1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-22 _Entry.Accession_date 2009-06-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Masashi Yokochi . . . 16361 2 Fuyuhiko Inagaki . . . 16361 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' . 16361 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID autophagy . 16361 'NF-kB signaling' . 16361 p62 . 16361 PB1 . 16361 'ubiquitin-proteasome system' . 16361 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16361 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 352 16361 '15N chemical shifts' 88 16361 '1H chemical shifts' 692 16361 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 3 . . 2010-06-03 2009-06-22 update BMRB 'edit assembly name' 16361 2 . . 2010-01-21 2009-06-22 update BMRB 'complete entry citation' 16361 1 . . 2009-06-26 2009-06-22 original author 'original release' 16361 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KKC 'BMRB Entry Tracking System' 16361 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16361 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19728111 _Citation.Full_citation . _Citation.Title 'The NMR structure of the p62 PB1 domain, a key protein in autophagy and NF-kappaB signaling pathway.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 45 _Citation.Journal_issue 3 _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 335 _Citation.Page_last 341 _Citation.Year 2009 _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 Tomohide Saio . . . 16361 1 2 Masashi Yokochi . . . 16361 1 3 Fuyuhiko Inagaki . . . 16361 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16361 _Assembly.ID 1 _Assembly.Name 'p62 PB1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 p62_PB1 1 $p62_PB1 A . yes native no no . . . 16361 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p62_PB1 _Entity.Sf_category entity _Entity.Sf_framecode p62_PB1 _Entity.Entry_ID 16361 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p62_PB1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID 1 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HMSLTVKAYLLGKEEAAREI RRFSFCFSPEPEAEAAAGPG PCERLLSRVAVLFPALRPGG FQAHYRAERGDLVAFSSDEE LTMAMSYVKDDIFRIYIKEK ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'D67A and D69R' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16736 . entity_1 . . . . . 101.00 117 98.02 98.02 2.14e-61 . . . . 16361 1 2 no PDB 2KKC . "Nmr Structure Of The P62 Pb1 Domain" . . . . . 100.00 102 100.00 100.00 2.12e-64 . . . . 16361 1 3 no PDB 2KTR . "Nmr Structure Of P62 Pb1 Dimer Determined Based On Pcs" . . . . . 101.00 117 98.02 98.02 2.14e-61 . . . . 16361 1 4 no EMBL CAA69642 . "PKC-zeta-interacting protein (ZIP) [Rattus norvegicus]" . . . . . 98.00 439 97.96 97.96 9.39e-58 . . . . 16361 1 5 no GB AAH61575 . "Sequestosome 1 [Rattus norvegicus]" . . . . . 98.00 439 97.96 97.96 9.39e-58 . . . . 16361 1 6 no GB AAO15463 . "protein kinase C-zeta-interacting protein [Rattus norvegicus]" . . . . . 98.00 234 97.96 97.96 1.23e-58 . . . . 16361 1 7 no GB EDM04255 . "sequestosome 1, isoform CRA_a [Rattus norvegicus]" . . . . . 98.00 350 97.96 97.96 2.43e-58 . . . . 16361 1 8 no GB EDM04256 . "sequestosome 1, isoform CRA_b [Rattus norvegicus]" . . . . . 98.00 393 97.96 97.96 4.25e-58 . . . . 16361 1 9 no GB EDM04258 . "sequestosome 1, isoform CRA_d [Rattus norvegicus]" . . . . . 98.00 234 97.96 97.96 1.23e-58 . . . . 16361 1 10 no REF NP_787037 . "sequestosome-1 isoform 1 [Rattus norvegicus]" . . . . . 98.00 439 97.96 97.96 9.39e-58 . . . . 16361 1 11 no REF NP_853528 . "sequestosome-1 isoform 2 [Rattus norvegicus]" . . . . . 98.00 234 97.96 97.96 1.23e-58 . . . . 16361 1 12 no REF XP_006246275 . "PREDICTED: sequestosome-1 isoform X1 [Rattus norvegicus]" . . . . . 98.00 412 97.96 97.96 1.01e-57 . . . . 16361 1 13 no REF XP_006246276 . "PREDICTED: sequestosome-1 isoform X2 [Rattus norvegicus]" . . . . . 98.00 401 97.96 97.96 5.69e-58 . . . . 16361 1 14 no REF XP_006246277 . "PREDICTED: sequestosome-1 isoform X3 [Rattus norvegicus]" . . . . . 98.00 374 97.96 97.96 4.72e-58 . . . . 16361 1 15 no SP O08623 . "RecName: Full=Sequestosome-1; AltName: Full=Protein kinase C-zeta-interacting protein; Short=PKC-zeta-interacting protein; AltN" . . . . . 98.00 439 97.96 97.96 9.39e-58 . . . . 16361 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 . 16361 1 2 . MET . 16361 1 3 . SER . 16361 1 4 . LEU . 16361 1 5 . THR . 16361 1 6 . VAL . 16361 1 7 . LYS . 16361 1 8 . ALA . 16361 1 9 . TYR . 16361 1 10 . LEU . 16361 1 11 . LEU . 16361 1 12 . GLY . 16361 1 13 . LYS . 16361 1 14 . GLU . 16361 1 15 . GLU . 16361 1 16 . ALA . 16361 1 17 . ALA . 16361 1 18 . ARG . 16361 1 19 . GLU . 16361 1 20 . ILE . 16361 1 21 . ARG . 16361 1 22 . ARG . 16361 1 23 . PHE . 16361 1 24 . SER . 16361 1 25 . PHE . 16361 1 26 . CYS . 16361 1 27 . PHE . 16361 1 28 . SER . 16361 1 29 . PRO . 16361 1 30 . GLU . 16361 1 31 . PRO . 16361 1 32 . GLU . 16361 1 33 . ALA . 16361 1 34 . GLU . 16361 1 35 . ALA . 16361 1 36 . ALA . 16361 1 37 . ALA . 16361 1 38 . GLY . 16361 1 39 . PRO . 16361 1 40 . GLY . 16361 1 41 . PRO . 16361 1 42 . CYS . 16361 1 43 . GLU . 16361 1 44 . ARG . 16361 1 45 . LEU . 16361 1 46 . LEU . 16361 1 47 . SER . 16361 1 48 . ARG . 16361 1 49 . VAL . 16361 1 50 . ALA . 16361 1 51 . VAL . 16361 1 52 . LEU . 16361 1 53 . PHE . 16361 1 54 . PRO . 16361 1 55 . ALA . 16361 1 56 . LEU . 16361 1 57 . ARG . 16361 1 58 . PRO . 16361 1 59 . GLY . 16361 1 60 . GLY . 16361 1 61 . PHE . 16361 1 62 . GLN . 16361 1 63 . ALA . 16361 1 64 . HIS . 16361 1 65 . TYR . 16361 1 66 . ARG . 16361 1 67 . ALA . 16361 1 68 . GLU . 16361 1 69 . ARG . 16361 1 70 . GLY . 16361 1 71 . ASP . 16361 1 72 . LEU . 16361 1 73 . VAL . 16361 1 74 . ALA . 16361 1 75 . PHE . 16361 1 76 . SER . 16361 1 77 . SER . 16361 1 78 . ASP . 16361 1 79 . GLU . 16361 1 80 . GLU . 16361 1 81 . LEU . 16361 1 82 . THR . 16361 1 83 . MET . 16361 1 84 . ALA . 16361 1 85 . MET . 16361 1 86 . SER . 16361 1 87 . TYR . 16361 1 88 . VAL . 16361 1 89 . LYS . 16361 1 90 . ASP . 16361 1 91 . ASP . 16361 1 92 . ILE . 16361 1 93 . PHE . 16361 1 94 . ARG . 16361 1 95 . ILE . 16361 1 96 . TYR . 16361 1 97 . ILE . 16361 1 98 . LYS . 16361 1 99 . GLU . 16361 1 100 . LYS . 16361 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 16361 1 . MET 2 2 16361 1 . SER 3 3 16361 1 . LEU 4 4 16361 1 . THR 5 5 16361 1 . VAL 6 6 16361 1 . LYS 7 7 16361 1 . ALA 8 8 16361 1 . TYR 9 9 16361 1 . LEU 10 10 16361 1 . LEU 11 11 16361 1 . GLY 12 12 16361 1 . LYS 13 13 16361 1 . GLU 14 14 16361 1 . GLU 15 15 16361 1 . ALA 16 16 16361 1 . ALA 17 17 16361 1 . ARG 18 18 16361 1 . GLU 19 19 16361 1 . ILE 20 20 16361 1 . ARG 21 21 16361 1 . ARG 22 22 16361 1 . PHE 23 23 16361 1 . SER 24 24 16361 1 . PHE 25 25 16361 1 . CYS 26 26 16361 1 . PHE 27 27 16361 1 . SER 28 28 16361 1 . PRO 29 29 16361 1 . GLU 30 30 16361 1 . PRO 31 31 16361 1 . GLU 32 32 16361 1 . ALA 33 33 16361 1 . GLU 34 34 16361 1 . ALA 35 35 16361 1 . ALA 36 36 16361 1 . ALA 37 37 16361 1 . GLY 38 38 16361 1 . PRO 39 39 16361 1 . GLY 40 40 16361 1 . PRO 41 41 16361 1 . CYS 42 42 16361 1 . GLU 43 43 16361 1 . ARG 44 44 16361 1 . LEU 45 45 16361 1 . LEU 46 46 16361 1 . SER 47 47 16361 1 . ARG 48 48 16361 1 . VAL 49 49 16361 1 . ALA 50 50 16361 1 . VAL 51 51 16361 1 . LEU 52 52 16361 1 . PHE 53 53 16361 1 . PRO 54 54 16361 1 . ALA 55 55 16361 1 . LEU 56 56 16361 1 . ARG 57 57 16361 1 . PRO 58 58 16361 1 . GLY 59 59 16361 1 . GLY 60 60 16361 1 . PHE 61 61 16361 1 . GLN 62 62 16361 1 . ALA 63 63 16361 1 . HIS 64 64 16361 1 . TYR 65 65 16361 1 . ARG 66 66 16361 1 . ALA 67 67 16361 1 . GLU 68 68 16361 1 . ARG 69 69 16361 1 . GLY 70 70 16361 1 . ASP 71 71 16361 1 . LEU 72 72 16361 1 . VAL 73 73 16361 1 . ALA 74 74 16361 1 . PHE 75 75 16361 1 . SER 76 76 16361 1 . SER 77 77 16361 1 . ASP 78 78 16361 1 . GLU 79 79 16361 1 . GLU 80 80 16361 1 . LEU 81 81 16361 1 . THR 82 82 16361 1 . MET 83 83 16361 1 . ALA 84 84 16361 1 . MET 85 85 16361 1 . SER 86 86 16361 1 . TYR 87 87 16361 1 . VAL 88 88 16361 1 . LYS 89 89 16361 1 . ASP 90 90 16361 1 . ASP 91 91 16361 1 . ILE 92 92 16361 1 . PHE 93 93 16361 1 . ARG 94 94 16361 1 . ILE 95 95 16361 1 . TYR 96 96 16361 1 . ILE 97 97 16361 1 . LYS 98 98 16361 1 . GLU 99 99 16361 1 . LYS 100 100 16361 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 16361 _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 $p62_PB1 . 10116 organism . 'Rattus norvegicus' 'Norway Rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 16361 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 16361 _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 $p62_PB1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pGSPS . . . . . . 16361 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16361 _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 'p62 PB1' '[U-99% 13C; U-99% 15N]' . . 1 $p62_PB1 . . 1 . . mM . . . . 16361 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16361 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16361 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16361 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16361 1 6 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16361 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16361 _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 16361 1 pH 6.5 . pH 16361 1 pressure 1 . atm 16361 1 temperature 298 . K 16361 1 stop_ save_ ############################ # Computer software used # ############################ save_OLIVIA _Software.Sf_category software _Software.Sf_framecode OLIVIA _Software.Entry_ID 16361 _Software.ID 1 _Software.Name Olivia _Software.Version 1.15.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Masashi Yokochi' . http://fermi.pharm.hokudai.ac.jp/olivia/ 16361 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16361 1 'data analysis' 16361 1 'peak picking' 16361 1 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 16361 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16361 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16361 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Unity Inova' . 800 . . . 16361 1 2 spectrometer_2 Varian 'Unity Inova' . 600 . . . 16361 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 16361 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16361 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16361 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16361 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16361 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16361 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16361 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16361 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16361 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16361 1 10 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16361 1 11 '3D HNCAHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16361 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16361 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16361 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 16361 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16361 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16361 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16361 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 16361 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 16361 1 2 '2D 1H-13C HSQC' 1 $sample_1 . 16361 1 3 '3D CBCA(CO)NH' 1 $sample_1 . 16361 1 5 '3D HNCA' 1 $sample_1 . 16361 1 6 '3D HNCACB' 1 $sample_1 . 16361 1 7 '3D HBHA(CO)NH' 1 $sample_1 . 16361 1 8 '3D HN(CO)CA' 1 $sample_1 . 16361 1 9 '3D HCCH-TOCSY' 1 $sample_1 . 16361 1 10 '3D (H)CCH-TOCSY' 1 $sample_1 . 16361 1 11 '3D HNCAHA' 1 $sample_1 . 16361 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 HIS HA H 1 4.636 0.002 . 1 1.00 . . . 1 HIS HA . 16361 1 2 . 1 1 1 1 HIS HB2 H 1 3.054 0.013 . 1 1.00 . . . 1 HIS HB2 . 16361 1 3 . 1 1 1 1 HIS HB3 H 1 2.996 0.001 . 1 1.00 . . . 1 HIS HB3 . 16361 1 4 . 1 1 1 1 HIS HD2 H 1 6.945 0.003 . 1 1.00 . . . 1 HIS HD2 . 16361 1 5 . 1 1 1 1 HIS HE1 H 1 7.843 0.005 . 1 1.00 . . . 1 HIS HE1 . 16361 1 6 . 1 1 1 1 HIS CA C 13 56.072 0.064 . 1 1.00 . . . 1 HIS CA . 16361 1 7 . 1 1 1 1 HIS CB C 13 30.832 0.042 . 1 1.00 . . . 1 HIS CB . 16361 1 8 . 1 1 1 1 HIS CD2 C 13 120.027 0.000 . 1 1.00 . . . 1 HIS CD2 . 16361 1 9 . 1 1 1 1 HIS CE1 C 13 138.310 0.000 . 1 1.00 . . . 1 HIS CE1 . 16361 1 10 . 1 1 2 2 MET H H 1 8.433 0.000 . 1 1.00 . . . 2 MET H . 16361 1 11 . 1 1 2 2 MET HA H 1 4.524 0.003 . 1 1.00 . . . 2 MET HA . 16361 1 12 . 1 1 2 2 MET HB2 H 1 1.998 0.013 . 1 1.00 . . . 2 MET HB2 . 16361 1 13 . 1 1 2 2 MET HB3 H 1 1.899 0.007 . 1 1.00 . . . 2 MET HB3 . 16361 1 14 . 1 1 2 2 MET HE1 H 1 2.034 0.000 . 1 1.00 . . . 2 MET HE . 16361 1 15 . 1 1 2 2 MET HE2 H 1 2.034 0.000 . 1 1.00 . . . 2 MET HE . 16361 1 16 . 1 1 2 2 MET HE3 H 1 2.034 0.000 . 1 1.00 . . . 2 MET HE . 16361 1 17 . 1 1 2 2 MET HG2 H 1 2.467 0.009 . 1 1.00 . . . 2 MET HG2 . 16361 1 18 . 1 1 2 2 MET HG3 H 1 2.418 0.006 . 1 1.00 . . . 2 MET HG3 . 16361 1 19 . 1 1 2 2 MET CA C 13 55.497 0.103 . 1 1.00 . . . 2 MET CA . 16361 1 20 . 1 1 2 2 MET CB C 13 33.638 0.001 . 1 1.00 . . . 2 MET CB . 16361 1 21 . 1 1 2 2 MET CE C 13 17.196 0.000 . 1 1.00 . . . 2 MET CE . 16361 1 22 . 1 1 2 2 MET CG C 13 32.027 0.001 . 1 1.00 . . . 2 MET CG . 16361 1 23 . 1 1 2 2 MET N N 15 121.346 0.000 . 1 1.00 . . . 2 MET N . 16361 1 24 . 1 1 3 3 SER H H 1 8.348 0.000 . 1 1.00 . . . 3 SER H . 16361 1 25 . 1 1 3 3 SER HA H 1 5.076 0.021 . 1 1.00 . . . 3 SER HA . 16361 1 26 . 1 1 3 3 SER HB2 H 1 3.785 0.006 . 1 1.00 . . . 3 SER HB2 . 16361 1 27 . 1 1 3 3 SER HB3 H 1 3.723 0.005 . 1 1.00 . . . 3 SER HB3 . 16361 1 28 . 1 1 3 3 SER CA C 13 57.619 0.012 . 1 1.00 . . . 3 SER CA . 16361 1 29 . 1 1 3 3 SER CB C 13 64.310 0.003 . 1 1.00 . . . 3 SER CB . 16361 1 30 . 1 1 3 3 SER N N 15 117.682 0.000 . 1 1.00 . . . 3 SER N . 16361 1 31 . 1 1 4 4 LEU H H 1 8.844 0.000 . 1 1.00 . . . 4 LEU H . 16361 1 32 . 1 1 4 4 LEU HA H 1 4.859 0.000 . 1 1.00 . . . 4 LEU HA . 16361 1 33 . 1 1 4 4 LEU HB2 H 1 1.747 0.000 . 2 1.00 . . . 4 LEU HB2 . 16361 1 34 . 1 1 4 4 LEU HB3 H 1 1.747 0.000 . 2 1.00 . . . 4 LEU HB3 . 16361 1 35 . 1 1 4 4 LEU HD11 H 1 0.851 0.000 . 1 1.00 . . . 4 LEU HD1 . 16361 1 36 . 1 1 4 4 LEU HD12 H 1 0.851 0.000 . 1 1.00 . . . 4 LEU HD1 . 16361 1 37 . 1 1 4 4 LEU HD13 H 1 0.851 0.000 . 1 1.00 . . . 4 LEU HD1 . 16361 1 38 . 1 1 4 4 LEU HD21 H 1 0.876 0.000 . 1 1.00 . . . 4 LEU HD2 . 16361 1 39 . 1 1 4 4 LEU HD22 H 1 0.876 0.000 . 1 1.00 . . . 4 LEU HD2 . 16361 1 40 . 1 1 4 4 LEU HD23 H 1 0.876 0.000 . 1 1.00 . . . 4 LEU HD2 . 16361 1 41 . 1 1 4 4 LEU HG H 1 1.738 0.000 . 1 1.00 . . . 4 LEU HG . 16361 1 42 . 1 1 4 4 LEU CA C 13 54.012 0.000 . 1 1.00 . . . 4 LEU CA . 16361 1 43 . 1 1 4 4 LEU CB C 13 45.262 0.000 . 1 1.00 . . . 4 LEU CB . 16361 1 44 . 1 1 4 4 LEU CD1 C 13 25.731 0.000 . 1 1.00 . . . 4 LEU CD1 . 16361 1 45 . 1 1 4 4 LEU CD2 C 13 25.136 0.000 . 1 1.00 . . . 4 LEU CD2 . 16361 1 46 . 1 1 4 4 LEU CG C 13 27.133 0.000 . 1 1.00 . . . 4 LEU CG . 16361 1 47 . 1 1 4 4 LEU N N 15 123.957 0.000 . 1 1.00 . . . 4 LEU N . 16361 1 48 . 1 1 5 5 THR H H 1 8.368 0.000 . 1 1.00 . . . 5 THR H . 16361 1 49 . 1 1 5 5 THR HA H 1 4.449 0.009 . 1 1.00 . . . 5 THR HA . 16361 1 50 . 1 1 5 5 THR HB H 1 4.140 0.004 . 1 1.00 . . . 5 THR HB . 16361 1 51 . 1 1 5 5 THR HG21 H 1 1.041 0.013 . 1 1.00 . . . 5 THR HG2 . 16361 1 52 . 1 1 5 5 THR HG22 H 1 1.041 0.013 . 1 1.00 . . . 5 THR HG2 . 16361 1 53 . 1 1 5 5 THR HG23 H 1 1.041 0.013 . 1 1.00 . . . 5 THR HG2 . 16361 1 54 . 1 1 5 5 THR CA C 13 63.468 0.069 . 1 1.00 . . . 5 THR CA . 16361 1 55 . 1 1 5 5 THR CB C 13 69.441 0.000 . 1 1.00 . . . 5 THR CB . 16361 1 56 . 1 1 5 5 THR CG2 C 13 21.388 0.060 . 1 1.00 . . . 5 THR CG2 . 16361 1 57 . 1 1 5 5 THR N N 15 119.222 0.000 . 1 1.00 . . . 5 THR N . 16361 1 58 . 1 1 6 6 VAL H H 1 9.216 0.000 . 1 1.00 . . . 6 VAL H . 16361 1 59 . 1 1 6 6 VAL HA H 1 4.874 0.000 . 1 1.00 . . . 6 VAL HA . 16361 1 60 . 1 1 6 6 VAL HB H 1 0.323 0.000 . 1 1.00 . . . 6 VAL HB . 16361 1 61 . 1 1 6 6 VAL HG11 H 1 0.697 0.000 . 1 1.00 . . . 6 VAL HG1 . 16361 1 62 . 1 1 6 6 VAL HG12 H 1 0.697 0.000 . 1 1.00 . . . 6 VAL HG1 . 16361 1 63 . 1 1 6 6 VAL HG13 H 1 0.697 0.000 . 1 1.00 . . . 6 VAL HG1 . 16361 1 64 . 1 1 6 6 VAL HG21 H 1 0.507 0.000 . 1 1.00 . . . 6 VAL HG2 . 16361 1 65 . 1 1 6 6 VAL HG22 H 1 0.507 0.000 . 1 1.00 . . . 6 VAL HG2 . 16361 1 66 . 1 1 6 6 VAL HG23 H 1 0.507 0.000 . 1 1.00 . . . 6 VAL HG2 . 16361 1 67 . 1 1 6 6 VAL CA C 13 60.113 0.000 . 1 1.00 . . . 6 VAL CA . 16361 1 68 . 1 1 6 6 VAL CB C 13 31.668 0.000 . 1 1.00 . . . 6 VAL CB . 16361 1 69 . 1 1 6 6 VAL CG1 C 13 22.512 0.000 . 1 1.00 . . . 6 VAL CG1 . 16361 1 70 . 1 1 6 6 VAL CG2 C 13 22.243 0.000 . 1 1.00 . . . 6 VAL CG2 . 16361 1 71 . 1 1 6 6 VAL N N 15 128.934 0.000 . 1 1.00 . . . 6 VAL N . 16361 1 72 . 1 1 7 7 LYS H H 1 8.405 0.000 . 1 1.00 . . . 7 LYS H . 16361 1 73 . 1 1 7 7 LYS HA H 1 4.670 0.014 . 1 1.00 . . . 7 LYS HA . 16361 1 74 . 1 1 7 7 LYS HB2 H 1 1.560 0.013 . 1 1.00 . . . 7 LYS HB2 . 16361 1 75 . 1 1 7 7 LYS HB3 H 1 1.298 0.008 . 1 1.00 . . . 7 LYS HB3 . 16361 1 76 . 1 1 7 7 LYS HD2 H 1 1.660 0.009 . 2 1.00 . . . 7 LYS HD2 . 16361 1 77 . 1 1 7 7 LYS HD3 H 1 1.660 0.009 . 2 1.00 . . . 7 LYS HD3 . 16361 1 78 . 1 1 7 7 LYS HE2 H 1 2.701 0.000 . 2 1.00 . . . 7 LYS HE2 . 16361 1 79 . 1 1 7 7 LYS HE3 H 1 2.701 0.000 . 2 1.00 . . . 7 LYS HE3 . 16361 1 80 . 1 1 7 7 LYS HG2 H 1 0.972 0.019 . 1 1.00 . . . 7 LYS HG2 . 16361 1 81 . 1 1 7 7 LYS HG3 H 1 0.845 0.003 . 1 1.00 . . . 7 LYS HG3 . 16361 1 82 . 1 1 7 7 LYS CA C 13 55.116 0.094 . 1 1.00 . . . 7 LYS CA . 16361 1 83 . 1 1 7 7 LYS CB C 13 35.688 0.040 . 1 1.00 . . . 7 LYS CB . 16361 1 84 . 1 1 7 7 LYS CD C 13 30.473 0.000 . 1 1.00 . . . 7 LYS CD . 16361 1 85 . 1 1 7 7 LYS CE C 13 42.267 0.000 . 1 1.00 . . . 7 LYS CE . 16361 1 86 . 1 1 7 7 LYS CG C 13 26.251 0.006 . 1 1.00 . . . 7 LYS CG . 16361 1 87 . 1 1 7 7 LYS N N 15 127.218 0.000 . 1 1.00 . . . 7 LYS N . 16361 1 88 . 1 1 8 8 ALA H H 1 9.119 0.000 . 1 1.00 . . . 8 ALA H . 16361 1 89 . 1 1 8 8 ALA HA H 1 5.172 0.005 . 1 1.00 . . . 8 ALA HA . 16361 1 90 . 1 1 8 8 ALA HB1 H 1 1.340 0.009 . 1 1.00 . . . 8 ALA HB . 16361 1 91 . 1 1 8 8 ALA HB2 H 1 1.340 0.009 . 1 1.00 . . . 8 ALA HB . 16361 1 92 . 1 1 8 8 ALA HB3 H 1 1.340 0.009 . 1 1.00 . . . 8 ALA HB . 16361 1 93 . 1 1 8 8 ALA CA C 13 49.628 0.033 . 1 1.00 . . . 8 ALA CA . 16361 1 94 . 1 1 8 8 ALA CB C 13 21.375 0.000 . 1 1.00 . . . 8 ALA CB . 16361 1 95 . 1 1 8 8 ALA N N 15 127.063 0.000 . 1 1.00 . . . 8 ALA N . 16361 1 96 . 1 1 9 9 TYR H H 1 8.986 0.000 . 1 1.00 . . . 9 TYR H . 16361 1 97 . 1 1 9 9 TYR HA H 1 4.890 0.011 . 1 1.00 . . . 9 TYR HA . 16361 1 98 . 1 1 9 9 TYR HB2 H 1 3.008 0.019 . 1 1.00 . . . 9 TYR HB2 . 16361 1 99 . 1 1 9 9 TYR HB3 H 1 2.587 0.022 . 1 1.00 . . . 9 TYR HB3 . 16361 1 100 . 1 1 9 9 TYR HD1 H 1 6.782 0.003 . 3 1.00 . . . 9 TYR HD1 . 16361 1 101 . 1 1 9 9 TYR HD2 H 1 6.782 0.003 . 3 1.00 . . . 9 TYR HD2 . 16361 1 102 . 1 1 9 9 TYR HE1 H 1 6.530 0.007 . 3 1.00 . . . 9 TYR HE1 . 16361 1 103 . 1 1 9 9 TYR HE2 H 1 6.530 0.007 . 3 1.00 . . . 9 TYR HE2 . 16361 1 104 . 1 1 9 9 TYR CA C 13 56.052 0.021 . 1 1.00 . . . 9 TYR CA . 16361 1 105 . 1 1 9 9 TYR CB C 13 40.179 0.056 . 1 1.00 . . . 9 TYR CB . 16361 1 106 . 1 1 9 9 TYR CD1 C 13 134.414 0.000 . 3 1.00 . . . 9 TYR CD1 . 16361 1 107 . 1 1 9 9 TYR CD2 C 13 134.414 0.000 . 3 1.00 . . . 9 TYR CD2 . 16361 1 108 . 1 1 9 9 TYR CE1 C 13 117.494 0.000 . 3 1.00 . . . 9 TYR CE1 . 16361 1 109 . 1 1 9 9 TYR CE2 C 13 117.494 0.000 . 3 1.00 . . . 9 TYR CE2 . 16361 1 110 . 1 1 9 9 TYR N N 15 121.895 0.000 . 1 1.00 . . . 9 TYR N . 16361 1 111 . 1 1 10 10 LEU HA H 1 4.483 0.017 . 1 1.00 . . . 10 LEU HA . 16361 1 112 . 1 1 10 10 LEU HB2 H 1 1.807 0.000 . 1 1.00 . . . 10 LEU HB2 . 16361 1 113 . 1 1 10 10 LEU HB3 H 1 0.518 0.002 . 1 1.00 . . . 10 LEU HB3 . 16361 1 114 . 1 1 10 10 LEU HD11 H 1 0.642 0.000 . 1 1.00 . . . 10 LEU HD1 . 16361 1 115 . 1 1 10 10 LEU HD12 H 1 0.642 0.000 . 1 1.00 . . . 10 LEU HD1 . 16361 1 116 . 1 1 10 10 LEU HD13 H 1 0.642 0.000 . 1 1.00 . . . 10 LEU HD1 . 16361 1 117 . 1 1 10 10 LEU HD21 H 1 0.527 0.000 . 1 1.00 . . . 10 LEU HD2 . 16361 1 118 . 1 1 10 10 LEU HD22 H 1 0.527 0.000 . 1 1.00 . . . 10 LEU HD2 . 16361 1 119 . 1 1 10 10 LEU HD23 H 1 0.527 0.000 . 1 1.00 . . . 10 LEU HD2 . 16361 1 120 . 1 1 10 10 LEU HG H 1 1.253 0.012 . 1 1.00 . . . 10 LEU HG . 16361 1 121 . 1 1 10 10 LEU CA C 13 54.435 0.028 . 1 1.00 . . . 10 LEU CA . 16361 1 122 . 1 1 10 10 LEU CB C 13 42.468 0.000 . 1 1.00 . . . 10 LEU CB . 16361 1 123 . 1 1 10 10 LEU CD1 C 13 25.767 0.000 . 1 1.00 . . . 10 LEU CD1 . 16361 1 124 . 1 1 10 10 LEU CD2 C 13 23.375 0.000 . 1 1.00 . . . 10 LEU CD2 . 16361 1 125 . 1 1 10 10 LEU CG C 13 27.482 0.066 . 1 1.00 . . . 10 LEU CG . 16361 1 126 . 1 1 11 11 LEU H H 1 8.939 0.000 . 1 1.00 . . . 11 LEU H . 16361 1 127 . 1 1 11 11 LEU HA H 1 4.721 0.009 . 1 1.00 . . . 11 LEU HA . 16361 1 128 . 1 1 11 11 LEU HB2 H 1 1.914 0.012 . 1 1.00 . . . 11 LEU HB2 . 16361 1 129 . 1 1 11 11 LEU HB3 H 1 1.450 0.011 . 1 1.00 . . . 11 LEU HB3 . 16361 1 130 . 1 1 11 11 LEU HD11 H 1 0.753 0.000 . 1 1.00 . . . 11 LEU HD1 . 16361 1 131 . 1 1 11 11 LEU HD12 H 1 0.753 0.000 . 1 1.00 . . . 11 LEU HD1 . 16361 1 132 . 1 1 11 11 LEU HD13 H 1 0.753 0.000 . 1 1.00 . . . 11 LEU HD1 . 16361 1 133 . 1 1 11 11 LEU HD21 H 1 0.805 0.000 . 1 1.00 . . . 11 LEU HD2 . 16361 1 134 . 1 1 11 11 LEU HD22 H 1 0.805 0.000 . 1 1.00 . . . 11 LEU HD2 . 16361 1 135 . 1 1 11 11 LEU HD23 H 1 0.805 0.000 . 1 1.00 . . . 11 LEU HD2 . 16361 1 136 . 1 1 11 11 LEU HG H 1 1.770 0.000 . 1 1.00 . . . 11 LEU HG . 16361 1 137 . 1 1 11 11 LEU CA C 13 54.846 0.086 . 1 1.00 . . . 11 LEU CA . 16361 1 138 . 1 1 11 11 LEU CB C 13 42.770 0.031 . 1 1.00 . . . 11 LEU CB . 16361 1 139 . 1 1 11 11 LEU CD1 C 13 25.730 0.000 . 1 1.00 . . . 11 LEU CD1 . 16361 1 140 . 1 1 11 11 LEU CD2 C 13 22.561 0.000 . 1 1.00 . . . 11 LEU CD2 . 16361 1 141 . 1 1 11 11 LEU CG C 13 27.156 0.000 . 1 1.00 . . . 11 LEU CG . 16361 1 142 . 1 1 11 11 LEU N N 15 128.206 0.000 . 1 1.00 . . . 11 LEU N . 16361 1 143 . 1 1 12 12 GLY H H 1 8.580 0.000 . 1 1.00 . . . 12 GLY H . 16361 1 144 . 1 1 12 12 GLY HA2 H 1 4.458 0.000 . 1 1.00 . . . 12 GLY HA2 . 16361 1 145 . 1 1 12 12 GLY HA3 H 1 3.832 0.000 . 1 1.00 . . . 12 GLY HA3 . 16361 1 146 . 1 1 12 12 GLY CA C 13 44.355 0.011 . 1 1.00 . . . 12 GLY CA . 16361 1 147 . 1 1 12 12 GLY N N 15 109.838 0.000 . 1 1.00 . . . 12 GLY N . 16361 1 148 . 1 1 13 13 LYS HA H 1 4.211 0.000 . 1 1.00 . . . 13 LYS HA . 16361 1 149 . 1 1 13 13 LYS HB2 H 1 1.876 0.018 . 1 1.00 . . . 13 LYS HB2 . 16361 1 150 . 1 1 13 13 LYS HB3 H 1 1.834 0.014 . 1 1.00 . . . 13 LYS HB3 . 16361 1 151 . 1 1 13 13 LYS HD2 H 1 1.723 0.000 . 2 1.00 . . . 13 LYS HD2 . 16361 1 152 . 1 1 13 13 LYS HD3 H 1 1.723 0.000 . 2 1.00 . . . 13 LYS HD3 . 16361 1 153 . 1 1 13 13 LYS HE2 H 1 3.021 0.000 . 2 1.00 . . . 13 LYS HE2 . 16361 1 154 . 1 1 13 13 LYS HE3 H 1 3.021 0.000 . 2 1.00 . . . 13 LYS HE3 . 16361 1 155 . 1 1 13 13 LYS HG2 H 1 1.534 0.012 . 1 1.00 . . . 13 LYS HG2 . 16361 1 156 . 1 1 13 13 LYS HG3 H 1 1.474 0.007 . 1 1.00 . . . 13 LYS HG3 . 16361 1 157 . 1 1 13 13 LYS CA C 13 57.704 0.000 . 1 1.00 . . . 13 LYS CA . 16361 1 158 . 1 1 13 13 LYS CB C 13 32.710 0.030 . 1 1.00 . . . 13 LYS CB . 16361 1 159 . 1 1 13 13 LYS CD C 13 29.138 0.000 . 1 1.00 . . . 13 LYS CD . 16361 1 160 . 1 1 13 13 LYS CE C 13 42.113 0.000 . 1 1.00 . . . 13 LYS CE . 16361 1 161 . 1 1 13 13 LYS CG C 13 25.087 0.000 . 1 1.00 . . . 13 LYS CG . 16361 1 162 . 1 1 14 14 GLU H H 1 8.702 0.000 . 1 1.00 . . . 14 GLU H . 16361 1 163 . 1 1 14 14 GLU HA H 1 4.255 0.000 . 1 1.00 . . . 14 GLU HA . 16361 1 164 . 1 1 14 14 GLU HB2 H 1 2.210 0.000 . 1 1.00 . . . 14 GLU HB2 . 16361 1 165 . 1 1 14 14 GLU HB3 H 1 2.068 0.000 . 1 1.00 . . . 14 GLU HB3 . 16361 1 166 . 1 1 14 14 GLU HG2 H 1 2.255 0.000 . 2 1.00 . . . 14 GLU HG2 . 16361 1 167 . 1 1 14 14 GLU HG3 H 1 2.255 0.000 . 2 1.00 . . . 14 GLU HG3 . 16361 1 168 . 1 1 14 14 GLU CA C 13 56.472 0.000 . 1 1.00 . . . 14 GLU CA . 16361 1 169 . 1 1 14 14 GLU CB C 13 28.542 0.009 . 1 1.00 . . . 14 GLU CB . 16361 1 170 . 1 1 14 14 GLU CG C 13 36.584 0.000 . 1 1.00 . . . 14 GLU CG . 16361 1 171 . 1 1 14 14 GLU N N 15 119.065 0.000 . 1 1.00 . . . 14 GLU N . 16361 1 172 . 1 1 15 15 GLU H H 1 8.320 0.000 . 1 1.00 . . . 15 GLU H . 16361 1 173 . 1 1 15 15 GLU HA H 1 3.813 0.008 . 1 1.00 . . . 15 GLU HA . 16361 1 174 . 1 1 15 15 GLU HB2 H 1 2.094 0.000 . 2 1.00 . . . 15 GLU HB2 . 16361 1 175 . 1 1 15 15 GLU HB3 H 1 2.094 0.000 . 2 1.00 . . . 15 GLU HB3 . 16361 1 176 . 1 1 15 15 GLU HG2 H 1 2.224 0.007 . 1 1.00 . . . 15 GLU HG2 . 16361 1 177 . 1 1 15 15 GLU HG3 H 1 2.034 0.003 . 1 1.00 . . . 15 GLU HG3 . 16361 1 178 . 1 1 15 15 GLU CA C 13 58.051 0.097 . 1 1.00 . . . 15 GLU CA . 16361 1 179 . 1 1 15 15 GLU CB C 13 28.029 0.000 . 1 1.00 . . . 15 GLU CB . 16361 1 180 . 1 1 15 15 GLU CG C 13 36.875 0.003 . 1 1.00 . . . 15 GLU CG . 16361 1 181 . 1 1 15 15 GLU N N 15 115.210 0.000 . 1 1.00 . . . 15 GLU N . 16361 1 182 . 1 1 16 16 ALA H H 1 7.699 0.000 . 1 1.00 . . . 16 ALA H . 16361 1 183 . 1 1 16 16 ALA HA H 1 4.414 0.018 . 1 1.00 . . . 16 ALA HA . 16361 1 184 . 1 1 16 16 ALA HB1 H 1 1.396 0.009 . 1 1.00 . . . 16 ALA HB . 16361 1 185 . 1 1 16 16 ALA HB2 H 1 1.396 0.009 . 1 1.00 . . . 16 ALA HB . 16361 1 186 . 1 1 16 16 ALA HB3 H 1 1.396 0.009 . 1 1.00 . . . 16 ALA HB . 16361 1 187 . 1 1 16 16 ALA CA C 13 51.703 0.021 . 1 1.00 . . . 16 ALA CA . 16361 1 188 . 1 1 16 16 ALA CB C 13 19.591 0.000 . 1 1.00 . . . 16 ALA CB . 16361 1 189 . 1 1 16 16 ALA N N 15 121.268 0.000 . 1 1.00 . . . 16 ALA N . 16361 1 190 . 1 1 17 17 ALA H H 1 8.694 0.000 . 1 1.00 . . . 17 ALA H . 16361 1 191 . 1 1 17 17 ALA HA H 1 4.488 0.017 . 1 1.00 . . . 17 ALA HA . 16361 1 192 . 1 1 17 17 ALA HB1 H 1 1.501 0.009 . 1 1.00 . . . 17 ALA HB . 16361 1 193 . 1 1 17 17 ALA HB2 H 1 1.501 0.009 . 1 1.00 . . . 17 ALA HB . 16361 1 194 . 1 1 17 17 ALA HB3 H 1 1.501 0.009 . 1 1.00 . . . 17 ALA HB . 16361 1 195 . 1 1 17 17 ALA CA C 13 52.598 0.054 . 1 1.00 . . . 17 ALA CA . 16361 1 196 . 1 1 17 17 ALA CB C 13 18.924 0.000 . 1 1.00 . . . 17 ALA CB . 16361 1 197 . 1 1 17 17 ALA N N 15 123.960 0.000 . 1 1.00 . . . 17 ALA N . 16361 1 198 . 1 1 18 18 ARG H H 1 9.130 0.000 . 1 1.00 . . . 18 ARG H . 16361 1 199 . 1 1 18 18 ARG HA H 1 4.470 0.013 . 1 1.00 . . . 18 ARG HA . 16361 1 200 . 1 1 18 18 ARG HB2 H 1 1.939 0.001 . 1 1.00 . . . 18 ARG HB2 . 16361 1 201 . 1 1 18 18 ARG HB3 H 1 1.747 0.004 . 1 1.00 . . . 18 ARG HB3 . 16361 1 202 . 1 1 18 18 ARG HD2 H 1 3.248 0.006 . 1 1.00 . . . 18 ARG HD2 . 16361 1 203 . 1 1 18 18 ARG HD3 H 1 3.110 0.007 . 1 1.00 . . . 18 ARG HD3 . 16361 1 204 . 1 1 18 18 ARG HG2 H 1 1.731 0.000 . 1 1.00 . . . 18 ARG HG2 . 16361 1 205 . 1 1 18 18 ARG HG3 H 1 1.670 0.004 . 1 1.00 . . . 18 ARG HG3 . 16361 1 206 . 1 1 18 18 ARG CA C 13 56.954 0.141 . 1 1.00 . . . 18 ARG CA . 16361 1 207 . 1 1 18 18 ARG CB C 13 31.926 0.000 . 1 1.00 . . . 18 ARG CB . 16361 1 208 . 1 1 18 18 ARG CD C 13 44.031 0.000 . 1 1.00 . . . 18 ARG CD . 16361 1 209 . 1 1 18 18 ARG CG C 13 26.849 0.000 . 1 1.00 . . . 18 ARG CG . 16361 1 210 . 1 1 18 18 ARG N N 15 122.743 0.000 . 1 1.00 . . . 18 ARG N . 16361 1 211 . 1 1 19 19 GLU H H 1 7.664 0.000 . 1 1.00 . . . 19 GLU H . 16361 1 212 . 1 1 19 19 GLU HA H 1 4.640 0.000 . 1 1.00 . . . 19 GLU HA . 16361 1 213 . 1 1 19 19 GLU HB2 H 1 2.181 0.001 . 1 1.00 . . . 19 GLU HB2 . 16361 1 214 . 1 1 19 19 GLU HB3 H 1 2.121 0.002 . 1 1.00 . . . 19 GLU HB3 . 16361 1 215 . 1 1 19 19 GLU HG2 H 1 2.349 0.000 . 1 1.00 . . . 19 GLU HG2 . 16361 1 216 . 1 1 19 19 GLU HG3 H 1 2.314 0.000 . 1 1.00 . . . 19 GLU HG3 . 16361 1 217 . 1 1 19 19 GLU CA C 13 56.163 0.000 . 1 1.00 . . . 19 GLU CA . 16361 1 218 . 1 1 19 19 GLU CB C 13 34.329 0.000 . 1 1.00 . . . 19 GLU CB . 16361 1 219 . 1 1 19 19 GLU N N 15 117.631 0.000 . 1 1.00 . . . 19 GLU N . 16361 1 220 . 1 1 20 20 ILE H H 1 8.974 0.000 . 1 1.00 . . . 20 ILE H . 16361 1 221 . 1 1 20 20 ILE HA H 1 5.226 0.005 . 1 1.00 . . . 20 ILE HA . 16361 1 222 . 1 1 20 20 ILE HB H 1 1.543 0.011 . 1 1.00 . . . 20 ILE HB . 16361 1 223 . 1 1 20 20 ILE HD11 H 1 0.798 0.010 . 1 1.00 . . . 20 ILE HD1 . 16361 1 224 . 1 1 20 20 ILE HD12 H 1 0.798 0.010 . 1 1.00 . . . 20 ILE HD1 . 16361 1 225 . 1 1 20 20 ILE HD13 H 1 0.798 0.010 . 1 1.00 . . . 20 ILE HD1 . 16361 1 226 . 1 1 20 20 ILE HG12 H 1 1.427 0.028 . 1 1.00 . . . 20 ILE HG12 . 16361 1 227 . 1 1 20 20 ILE HG13 H 1 0.735 0.017 . 1 1.00 . . . 20 ILE HG13 . 16361 1 228 . 1 1 20 20 ILE HG21 H 1 0.348 0.000 . 1 1.00 . . . 20 ILE HG2 . 16361 1 229 . 1 1 20 20 ILE HG22 H 1 0.348 0.000 . 1 1.00 . . . 20 ILE HG2 . 16361 1 230 . 1 1 20 20 ILE HG23 H 1 0.348 0.000 . 1 1.00 . . . 20 ILE HG2 . 16361 1 231 . 1 1 20 20 ILE CA C 13 60.217 0.122 . 1 1.00 . . . 20 ILE CA . 16361 1 232 . 1 1 20 20 ILE CB C 13 41.485 0.000 . 1 1.00 . . . 20 ILE CB . 16361 1 233 . 1 1 20 20 ILE CD1 C 13 14.421 0.000 . 1 1.00 . . . 20 ILE CD1 . 16361 1 234 . 1 1 20 20 ILE CG1 C 13 27.611 0.018 . 1 1.00 . . . 20 ILE CG1 . 16361 1 235 . 1 1 20 20 ILE CG2 C 13 17.292 0.000 . 1 1.00 . . . 20 ILE CG2 . 16361 1 236 . 1 1 20 20 ILE N N 15 124.885 0.000 . 1 1.00 . . . 20 ILE N . 16361 1 237 . 1 1 21 21 ARG HA H 1 4.777 0.000 . 1 1.00 . . . 21 ARG HA . 16361 1 238 . 1 1 21 21 ARG HB2 H 1 1.581 0.000 . 1 1.00 . . . 21 ARG HB2 . 16361 1 239 . 1 1 21 21 ARG HB3 H 1 1.665 0.000 . 1 1.00 . . . 21 ARG HB3 . 16361 1 240 . 1 1 21 21 ARG HG2 H 1 1.309 0.014 . 1 1.00 . . . 21 ARG HG2 . 16361 1 241 . 1 1 21 21 ARG HG3 H 1 1.246 0.004 . 1 1.00 . . . 21 ARG HG3 . 16361 1 242 . 1 1 21 21 ARG CA C 13 55.512 0.000 . 1 1.00 . . . 21 ARG CA . 16361 1 243 . 1 1 21 21 ARG CB C 13 30.544 0.008 . 1 1.00 . . . 21 ARG CB . 16361 1 244 . 1 1 21 21 ARG CG C 13 26.058 0.007 . 1 1.00 . . . 21 ARG CG . 16361 1 245 . 1 1 22 22 ARG H H 1 8.615 0.000 . 1 1.00 . . . 22 ARG H . 16361 1 246 . 1 1 22 22 ARG HA H 1 5.730 0.018 . 1 1.00 . . . 22 ARG HA . 16361 1 247 . 1 1 22 22 ARG HB2 H 1 1.718 0.029 . 1 1.00 . . . 22 ARG HB2 . 16361 1 248 . 1 1 22 22 ARG HB3 H 1 1.654 0.009 . 1 1.00 . . . 22 ARG HB3 . 16361 1 249 . 1 1 22 22 ARG HD2 H 1 3.138 0.000 . 2 1.00 . . . 22 ARG HD2 . 16361 1 250 . 1 1 22 22 ARG HD3 H 1 3.138 0.000 . 2 1.00 . . . 22 ARG HD3 . 16361 1 251 . 1 1 22 22 ARG HG2 H 1 1.508 0.035 . 1 1.00 . . . 22 ARG HG2 . 16361 1 252 . 1 1 22 22 ARG HG3 H 1 1.440 0.012 . 1 1.00 . . . 22 ARG HG3 . 16361 1 253 . 1 1 22 22 ARG CA C 13 54.171 0.042 . 1 1.00 . . . 22 ARG CA . 16361 1 254 . 1 1 22 22 ARG CB C 13 33.703 0.017 . 1 1.00 . . . 22 ARG CB . 16361 1 255 . 1 1 22 22 ARG CD C 13 43.768 0.000 . 1 1.00 . . . 22 ARG CD . 16361 1 256 . 1 1 22 22 ARG CG C 13 27.758 0.005 . 1 1.00 . . . 22 ARG CG . 16361 1 257 . 1 1 22 22 ARG N N 15 121.542 0.000 . 1 1.00 . . . 22 ARG N . 16361 1 258 . 1 1 23 23 PHE H H 1 8.973 0.000 . 1 1.00 . . . 23 PHE H . 16361 1 259 . 1 1 23 23 PHE HA H 1 5.032 0.003 . 1 1.00 . . . 23 PHE HA . 16361 1 260 . 1 1 23 23 PHE HB2 H 1 3.218 0.005 . 1 1.00 . . . 23 PHE HB2 . 16361 1 261 . 1 1 23 23 PHE HB3 H 1 3.181 0.009 . 1 1.00 . . . 23 PHE HB3 . 16361 1 262 . 1 1 23 23 PHE HD1 H 1 6.979 0.002 . 3 1.00 . . . 23 PHE HD1 . 16361 1 263 . 1 1 23 23 PHE HD2 H 1 6.979 0.002 . 3 1.00 . . . 23 PHE HD2 . 16361 1 264 . 1 1 23 23 PHE HE1 H 1 6.831 0.009 . 3 1.00 . . . 23 PHE HE1 . 16361 1 265 . 1 1 23 23 PHE HE2 H 1 6.831 0.009 . 3 1.00 . . . 23 PHE HE2 . 16361 1 266 . 1 1 23 23 PHE CA C 13 56.274 0.016 . 1 1.00 . . . 23 PHE CA . 16361 1 267 . 1 1 23 23 PHE CB C 13 39.805 0.041 . 1 1.00 . . . 23 PHE CB . 16361 1 268 . 1 1 23 23 PHE CD1 C 13 133.804 0.000 . 3 1.00 . . . 23 PHE CD1 . 16361 1 269 . 1 1 23 23 PHE CD2 C 13 133.804 0.000 . 3 1.00 . . . 23 PHE CD2 . 16361 1 270 . 1 1 23 23 PHE CE1 C 13 129.438 0.000 . 3 1.00 . . . 23 PHE CE1 . 16361 1 271 . 1 1 23 23 PHE CE2 C 13 129.438 0.000 . 3 1.00 . . . 23 PHE CE2 . 16361 1 272 . 1 1 23 23 PHE N N 15 119.096 0.000 . 1 1.00 . . . 23 PHE N . 16361 1 273 . 1 1 24 24 SER H H 1 8.906 0.000 . 1 1.00 . . . 24 SER H . 16361 1 274 . 1 1 24 24 SER HA H 1 5.165 0.002 . 1 1.00 . . . 24 SER HA . 16361 1 275 . 1 1 24 24 SER HB2 H 1 3.897 0.009 . 1 1.00 . . . 24 SER HB2 . 16361 1 276 . 1 1 24 24 SER HB3 H 1 3.874 0.012 . 1 1.00 . . . 24 SER HB3 . 16361 1 277 . 1 1 24 24 SER CA C 13 57.920 0.000 . 1 1.00 . . . 24 SER CA . 16361 1 278 . 1 1 24 24 SER CB C 13 64.320 0.000 . 1 1.00 . . . 24 SER CB . 16361 1 279 . 1 1 24 24 SER N N 15 116.320 0.000 . 1 1.00 . . . 24 SER N . 16361 1 280 . 1 1 25 25 PHE H H 1 9.072 0.000 . 1 1.00 . . . 25 PHE H . 16361 1 281 . 1 1 25 25 PHE HA H 1 4.924 0.007 . 1 1.00 . . . 25 PHE HA . 16361 1 282 . 1 1 25 25 PHE HB2 H 1 2.980 0.012 . 1 1.00 . . . 25 PHE HB2 . 16361 1 283 . 1 1 25 25 PHE HB3 H 1 2.671 0.001 . 1 1.00 . . . 25 PHE HB3 . 16361 1 284 . 1 1 25 25 PHE HD1 H 1 6.893 0.006 . 3 1.00 . . . 25 PHE HD1 . 16361 1 285 . 1 1 25 25 PHE HD2 H 1 6.893 0.006 . 3 1.00 . . . 25 PHE HD2 . 16361 1 286 . 1 1 25 25 PHE HE1 H 1 6.931 0.000 . 3 1.00 . . . 25 PHE HE1 . 16361 1 287 . 1 1 25 25 PHE HE2 H 1 6.931 0.000 . 3 1.00 . . . 25 PHE HE2 . 16361 1 288 . 1 1 25 25 PHE CA C 13 57.781 0.043 . 1 1.00 . . . 25 PHE CA . 16361 1 289 . 1 1 25 25 PHE CB C 13 44.680 0.039 . 1 1.00 . . . 25 PHE CB . 16361 1 290 . 1 1 25 25 PHE CD1 C 13 131.598 0.000 . 3 1.00 . . . 25 PHE CD1 . 16361 1 291 . 1 1 25 25 PHE CD2 C 13 131.598 0.000 . 3 1.00 . . . 25 PHE CD2 . 16361 1 292 . 1 1 25 25 PHE N N 15 125.720 0.000 . 1 1.00 . . . 25 PHE N . 16361 1 293 . 1 1 26 26 CYS H H 1 7.954 0.000 . 1 1.00 . . . 26 CYS H . 16361 1 294 . 1 1 26 26 CYS HA H 1 4.934 0.009 . 1 1.00 . . . 26 CYS HA . 16361 1 295 . 1 1 26 26 CYS HB2 H 1 2.702 0.005 . 1 1.00 . . . 26 CYS HB2 . 16361 1 296 . 1 1 26 26 CYS HB3 H 1 2.595 0.006 . 1 1.00 . . . 26 CYS HB3 . 16361 1 297 . 1 1 26 26 CYS CA C 13 57.071 0.016 . 1 1.00 . . . 26 CYS CA . 16361 1 298 . 1 1 26 26 CYS CB C 13 28.095 0.001 . 1 1.00 . . . 26 CYS CB . 16361 1 299 . 1 1 26 26 CYS N N 15 126.406 0.000 . 1 1.00 . . . 26 CYS N . 16361 1 300 . 1 1 27 27 PHE H H 1 8.783 0.000 . 1 1.00 . . . 27 PHE H . 16361 1 301 . 1 1 27 27 PHE HA H 1 4.242 0.003 . 1 1.00 . . . 27 PHE HA . 16361 1 302 . 1 1 27 27 PHE HB2 H 1 3.068 0.009 . 1 1.00 . . . 27 PHE HB2 . 16361 1 303 . 1 1 27 27 PHE HB3 H 1 2.919 0.003 . 1 1.00 . . . 27 PHE HB3 . 16361 1 304 . 1 1 27 27 PHE HD1 H 1 7.174 0.004 . 3 1.00 . . . 27 PHE HD1 . 16361 1 305 . 1 1 27 27 PHE HD2 H 1 7.174 0.004 . 3 1.00 . . . 27 PHE HD2 . 16361 1 306 . 1 1 27 27 PHE HE1 H 1 7.181 0.002 . 3 1.00 . . . 27 PHE HE1 . 16361 1 307 . 1 1 27 27 PHE HE2 H 1 7.181 0.002 . 3 1.00 . . . 27 PHE HE2 . 16361 1 308 . 1 1 27 27 PHE CA C 13 59.090 0.000 . 1 1.00 . . . 27 PHE CA . 16361 1 309 . 1 1 27 27 PHE CB C 13 40.370 0.036 . 1 1.00 . . . 27 PHE CB . 16361 1 310 . 1 1 27 27 PHE CD1 C 13 132.021 0.000 . 3 1.00 . . . 27 PHE CD1 . 16361 1 311 . 1 1 27 27 PHE CD2 C 13 132.021 0.000 . 3 1.00 . . . 27 PHE CD2 . 16361 1 312 . 1 1 27 27 PHE CE1 C 13 131.141 0.000 . 3 1.00 . . . 27 PHE CE1 . 16361 1 313 . 1 1 27 27 PHE CE2 C 13 131.141 0.000 . 3 1.00 . . . 27 PHE CE2 . 16361 1 314 . 1 1 27 27 PHE N N 15 125.974 0.000 . 1 1.00 . . . 27 PHE N . 16361 1 315 . 1 1 28 28 SER H H 1 7.981 0.000 . 1 1.00 . . . 28 SER H . 16361 1 316 . 1 1 28 28 SER HA H 1 4.729 0.011 . 1 1.00 . . . 28 SER HA . 16361 1 317 . 1 1 28 28 SER HB2 H 1 3.756 0.006 . 1 1.00 . . . 28 SER HB2 . 16361 1 318 . 1 1 28 28 SER HB3 H 1 3.625 0.006 . 1 1.00 . . . 28 SER HB3 . 16361 1 319 . 1 1 28 28 SER CA C 13 55.257 0.061 . 1 1.00 . . . 28 SER CA . 16361 1 320 . 1 1 28 28 SER CB C 13 63.663 0.004 . 1 1.00 . . . 28 SER CB . 16361 1 321 . 1 1 28 28 SER N N 15 116.284 0.000 . 1 1.00 . . . 28 SER N . 16361 1 322 . 1 1 29 29 PRO HA H 1 4.361 0.000 . 1 1.00 . . . 29 PRO HA . 16361 1 323 . 1 1 29 29 PRO HB2 H 1 2.180 0.000 . 1 1.00 . . . 29 PRO HB2 . 16361 1 324 . 1 1 29 29 PRO HB3 H 1 1.944 0.000 . 1 1.00 . . . 29 PRO HB3 . 16361 1 325 . 1 1 29 29 PRO HD2 H 1 3.649 0.000 . 1 1.00 . . . 29 PRO HD2 . 16361 1 326 . 1 1 29 29 PRO HD3 H 1 3.413 0.000 . 1 1.00 . . . 29 PRO HD3 . 16361 1 327 . 1 1 29 29 PRO HG2 H 1 1.926 0.000 . 1 1.00 . . . 29 PRO HG2 . 16361 1 328 . 1 1 29 29 PRO HG3 H 1 1.861 0.000 . 1 1.00 . . . 29 PRO HG3 . 16361 1 329 . 1 1 29 29 PRO CA C 13 63.086 0.000 . 1 1.00 . . . 29 PRO CA . 16361 1 330 . 1 1 29 29 PRO CB C 13 32.166 0.000 . 1 1.00 . . . 29 PRO CB . 16361 1 331 . 1 1 29 29 PRO CD C 13 50.543 0.007 . 1 1.00 . . . 29 PRO CD . 16361 1 332 . 1 1 29 29 PRO CG C 13 27.043 0.000 . 1 1.00 . . . 29 PRO CG . 16361 1 333 . 1 1 30 30 GLU H H 1 8.287 0.000 . 1 1.00 . . . 30 GLU H . 16361 1 334 . 1 1 30 30 GLU HA H 1 4.525 0.007 . 1 1.00 . . . 30 GLU HA . 16361 1 335 . 1 1 30 30 GLU HB2 H 1 2.035 0.006 . 1 1.00 . . . 30 GLU HB2 . 16361 1 336 . 1 1 30 30 GLU HB3 H 1 1.834 0.007 . 1 1.00 . . . 30 GLU HB3 . 16361 1 337 . 1 1 30 30 GLU HG2 H 1 2.245 0.006 . 2 1.00 . . . 30 GLU HG2 . 16361 1 338 . 1 1 30 30 GLU HG3 H 1 2.245 0.006 . 2 1.00 . . . 30 GLU HG3 . 16361 1 339 . 1 1 30 30 GLU CA C 13 54.372 0.043 . 1 1.00 . . . 30 GLU CA . 16361 1 340 . 1 1 30 30 GLU CB C 13 29.615 0.003 . 1 1.00 . . . 30 GLU CB . 16361 1 341 . 1 1 30 30 GLU CG C 13 36.098 0.000 . 1 1.00 . . . 30 GLU CG . 16361 1 342 . 1 1 30 30 GLU N N 15 121.266 0.000 . 1 1.00 . . . 30 GLU N . 16361 1 343 . 1 1 31 31 PRO HA H 1 4.361 0.017 . 1 1.00 . . . 31 PRO HA . 16361 1 344 . 1 1 31 31 PRO HB2 H 1 2.293 0.008 . 1 1.00 . . . 31 PRO HB2 . 16361 1 345 . 1 1 31 31 PRO HB3 H 1 1.935 0.009 . 1 1.00 . . . 31 PRO HB3 . 16361 1 346 . 1 1 31 31 PRO HD2 H 1 3.770 0.007 . 1 1.00 . . . 31 PRO HD2 . 16361 1 347 . 1 1 31 31 PRO HD3 H 1 3.705 0.005 . 1 1.00 . . . 31 PRO HD3 . 16361 1 348 . 1 1 31 31 PRO HG2 H 1 2.059 0.009 . 1 1.00 . . . 31 PRO HG2 . 16361 1 349 . 1 1 31 31 PRO HG3 H 1 2.005 0.006 . 1 1.00 . . . 31 PRO HG3 . 16361 1 350 . 1 1 31 31 PRO CA C 13 63.732 0.135 . 1 1.00 . . . 31 PRO CA . 16361 1 351 . 1 1 31 31 PRO CB C 13 32.086 0.004 . 1 1.00 . . . 31 PRO CB . 16361 1 352 . 1 1 31 31 PRO CD C 13 50.632 0.001 . 1 1.00 . . . 31 PRO CD . 16361 1 353 . 1 1 31 31 PRO CG C 13 27.487 0.000 . 1 1.00 . . . 31 PRO CG . 16361 1 354 . 1 1 32 32 GLU H H 1 8.576 0.000 . 1 1.00 . . . 32 GLU H . 16361 1 355 . 1 1 32 32 GLU HA H 1 4.244 0.000 . 1 1.00 . . . 32 GLU HA . 16361 1 356 . 1 1 32 32 GLU HB2 H 1 2.105 0.008 . 1 1.00 . . . 32 GLU HB2 . 16361 1 357 . 1 1 32 32 GLU HB3 H 1 1.971 0.000 . 1 1.00 . . . 32 GLU HB3 . 16361 1 358 . 1 1 32 32 GLU HG2 H 1 2.302 0.008 . 1 1.00 . . . 32 GLU HG2 . 16361 1 359 . 1 1 32 32 GLU HG3 H 1 2.260 0.005 . 1 1.00 . . . 32 GLU HG3 . 16361 1 360 . 1 1 32 32 GLU CA C 13 56.923 0.000 . 1 1.00 . . . 32 GLU CA . 16361 1 361 . 1 1 32 32 GLU CB C 13 29.961 0.003 . 1 1.00 . . . 32 GLU CB . 16361 1 362 . 1 1 32 32 GLU CG C 13 36.442 0.003 . 1 1.00 . . . 32 GLU CG . 16361 1 363 . 1 1 32 32 GLU N N 15 120.055 0.000 . 1 1.00 . . . 32 GLU N . 16361 1 364 . 1 1 33 33 ALA H H 1 8.232 0.000 . 1 1.00 . . . 33 ALA H . 16361 1 365 . 1 1 33 33 ALA HA H 1 4.267 0.000 . 1 1.00 . . . 33 ALA HA . 16361 1 366 . 1 1 33 33 ALA HB1 H 1 1.422 0.009 . 1 1.00 . . . 33 ALA HB . 16361 1 367 . 1 1 33 33 ALA HB2 H 1 1.422 0.009 . 1 1.00 . . . 33 ALA HB . 16361 1 368 . 1 1 33 33 ALA HB3 H 1 1.422 0.009 . 1 1.00 . . . 33 ALA HB . 16361 1 369 . 1 1 33 33 ALA CA C 13 53.224 0.000 . 1 1.00 . . . 33 ALA CA . 16361 1 370 . 1 1 33 33 ALA CB C 13 19.308 0.000 . 1 1.00 . . . 33 ALA CB . 16361 1 371 . 1 1 33 33 ALA N N 15 123.908 0.000 . 1 1.00 . . . 33 ALA N . 16361 1 372 . 1 1 34 34 GLU H H 1 8.308 0.000 . 1 1.00 . . . 34 GLU H . 16361 1 373 . 1 1 34 34 GLU HA H 1 4.219 0.007 . 1 1.00 . . . 34 GLU HA . 16361 1 374 . 1 1 34 34 GLU HB2 H 1 2.107 0.009 . 1 1.00 . . . 34 GLU HB2 . 16361 1 375 . 1 1 34 34 GLU HB3 H 1 1.986 0.010 . 1 1.00 . . . 34 GLU HB3 . 16361 1 376 . 1 1 34 34 GLU HG2 H 1 2.302 0.004 . 1 1.00 . . . 34 GLU HG2 . 16361 1 377 . 1 1 34 34 GLU HG3 H 1 2.260 0.005 . 1 1.00 . . . 34 GLU HG3 . 16361 1 378 . 1 1 34 34 GLU CA C 13 57.077 0.044 . 1 1.00 . . . 34 GLU CA . 16361 1 379 . 1 1 34 34 GLU CB C 13 29.819 0.008 . 1 1.00 . . . 34 GLU CB . 16361 1 380 . 1 1 34 34 GLU CG C 13 36.442 0.003 . 1 1.00 . . . 34 GLU CG . 16361 1 381 . 1 1 34 34 GLU N N 15 118.453 0.000 . 1 1.00 . . . 34 GLU N . 16361 1 382 . 1 1 35 35 ALA H H 1 8.085 0.000 . 1 1.00 . . . 35 ALA H . 16361 1 383 . 1 1 35 35 ALA HA H 1 4.300 0.000 . 1 1.00 . . . 35 ALA HA . 16361 1 384 . 1 1 35 35 ALA HB1 H 1 1.413 0.000 . 1 1.00 . . . 35 ALA HB . 16361 1 385 . 1 1 35 35 ALA HB2 H 1 1.413 0.000 . 1 1.00 . . . 35 ALA HB . 16361 1 386 . 1 1 35 35 ALA HB3 H 1 1.413 0.000 . 1 1.00 . . . 35 ALA HB . 16361 1 387 . 1 1 35 35 ALA CA C 13 52.766 0.000 . 1 1.00 . . . 35 ALA CA . 16361 1 388 . 1 1 35 35 ALA CB C 13 19.253 0.000 . 1 1.00 . . . 35 ALA CB . 16361 1 389 . 1 1 35 35 ALA N N 15 123.420 0.000 . 1 1.00 . . . 35 ALA N . 16361 1 390 . 1 1 36 36 ALA H H 1 8.107 0.000 . 1 1.00 . . . 36 ALA H . 16361 1 391 . 1 1 36 36 ALA HA H 1 4.312 0.000 . 1 1.00 . . . 36 ALA HA . 16361 1 392 . 1 1 36 36 ALA HB1 H 1 1.423 0.000 . 1 1.00 . . . 36 ALA HB . 16361 1 393 . 1 1 36 36 ALA HB2 H 1 1.423 0.000 . 1 1.00 . . . 36 ALA HB . 16361 1 394 . 1 1 36 36 ALA HB3 H 1 1.423 0.000 . 1 1.00 . . . 36 ALA HB . 16361 1 395 . 1 1 36 36 ALA CA C 13 52.504 0.000 . 1 1.00 . . . 36 ALA CA . 16361 1 396 . 1 1 36 36 ALA CB C 13 19.229 0.000 . 1 1.00 . . . 36 ALA CB . 16361 1 397 . 1 1 36 36 ALA N N 15 122.445 0.000 . 1 1.00 . . . 36 ALA N . 16361 1 398 . 1 1 37 37 ALA H H 1 8.171 0.000 . 1 1.00 . . . 37 ALA H . 16361 1 399 . 1 1 37 37 ALA HA H 1 4.382 0.000 . 1 1.00 . . . 37 ALA HA . 16361 1 400 . 1 1 37 37 ALA HB1 H 1 1.437 0.014 . 1 1.00 . . . 37 ALA HB . 16361 1 401 . 1 1 37 37 ALA HB2 H 1 1.437 0.014 . 1 1.00 . . . 37 ALA HB . 16361 1 402 . 1 1 37 37 ALA HB3 H 1 1.437 0.014 . 1 1.00 . . . 37 ALA HB . 16361 1 403 . 1 1 37 37 ALA CA C 13 52.489 0.000 . 1 1.00 . . . 37 ALA CA . 16361 1 404 . 1 1 37 37 ALA CB C 13 19.276 0.000 . 1 1.00 . . . 37 ALA CB . 16361 1 405 . 1 1 37 37 ALA N N 15 122.707 0.000 . 1 1.00 . . . 37 ALA N . 16361 1 406 . 1 1 38 38 GLY H H 1 8.090 0.000 . 1 1.00 . . . 38 GLY H . 16361 1 407 . 1 1 38 38 GLY HA2 H 1 4.184 0.000 . 1 1.00 . . . 38 GLY HA2 . 16361 1 408 . 1 1 38 38 GLY HA3 H 1 4.114 0.000 . 1 1.00 . . . 38 GLY HA3 . 16361 1 409 . 1 1 38 38 GLY CA C 13 44.683 0.004 . 1 1.00 . . . 38 GLY CA . 16361 1 410 . 1 1 38 38 GLY N N 15 108.449 0.000 . 1 1.00 . . . 38 GLY N . 16361 1 411 . 1 1 39 39 PRO HA H 1 4.511 0.000 . 1 1.00 . . . 39 PRO HA . 16361 1 412 . 1 1 39 39 PRO HB2 H 1 2.286 0.011 . 1 1.00 . . . 39 PRO HB2 . 16361 1 413 . 1 1 39 39 PRO HB3 H 1 1.932 0.008 . 1 1.00 . . . 39 PRO HB3 . 16361 1 414 . 1 1 39 39 PRO HD2 H 1 3.644 0.000 . 2 1.00 . . . 39 PRO HD2 . 16361 1 415 . 1 1 39 39 PRO HD3 H 1 3.644 0.000 . 2 1.00 . . . 39 PRO HD3 . 16361 1 416 . 1 1 39 39 PRO HG2 H 1 2.064 0.008 . 1 1.00 . . . 39 PRO HG2 . 16361 1 417 . 1 1 39 39 PRO HG3 H 1 2.005 0.010 . 1 1.00 . . . 39 PRO HG3 . 16361 1 418 . 1 1 39 39 PRO CA C 13 62.996 0.092 . 1 1.00 . . . 39 PRO CA . 16361 1 419 . 1 1 39 39 PRO CB C 13 32.558 0.000 . 1 1.00 . . . 39 PRO CB . 16361 1 420 . 1 1 39 39 PRO CD C 13 49.807 0.000 . 1 1.00 . . . 39 PRO CD . 16361 1 421 . 1 1 39 39 PRO CG C 13 27.351 0.005 . 1 1.00 . . . 39 PRO CG . 16361 1 422 . 1 1 40 40 GLY H H 1 8.907 0.000 . 1 1.00 . . . 40 GLY H . 16361 1 423 . 1 1 40 40 GLY HA2 H 1 4.404 0.000 . 1 1.00 . . . 40 GLY HA2 . 16361 1 424 . 1 1 40 40 GLY HA3 H 1 4.367 0.000 . 1 1.00 . . . 40 GLY HA3 . 16361 1 425 . 1 1 40 40 GLY CA C 13 44.831 0.006 . 1 1.00 . . . 40 GLY CA . 16361 1 426 . 1 1 40 40 GLY N N 15 110.881 0.000 . 1 1.00 . . . 40 GLY N . 16361 1 427 . 1 1 41 41 PRO HA H 1 4.271 0.011 . 1 1.00 . . . 41 PRO HA . 16361 1 428 . 1 1 41 41 PRO HB2 H 1 2.314 0.002 . 1 1.00 . . . 41 PRO HB2 . 16361 1 429 . 1 1 41 41 PRO HB3 H 1 1.956 0.000 . 1 1.00 . . . 41 PRO HB3 . 16361 1 430 . 1 1 41 41 PRO HD2 H 1 3.927 0.005 . 1 1.00 . . . 41 PRO HD2 . 16361 1 431 . 1 1 41 41 PRO HD3 H 1 3.643 0.013 . 1 1.00 . . . 41 PRO HD3 . 16361 1 432 . 1 1 41 41 PRO HG2 H 1 2.102 0.010 . 1 1.00 . . . 41 PRO HG2 . 16361 1 433 . 1 1 41 41 PRO HG3 H 1 2.069 0.012 . 1 1.00 . . . 41 PRO HG3 . 16361 1 434 . 1 1 41 41 PRO CA C 13 65.817 0.090 . 1 1.00 . . . 41 PRO CA . 16361 1 435 . 1 1 41 41 PRO CB C 13 31.963 0.006 . 1 1.00 . . . 41 PRO CB . 16361 1 436 . 1 1 41 41 PRO CD C 13 49.332 0.002 . 1 1.00 . . . 41 PRO CD . 16361 1 437 . 1 1 41 41 PRO CG C 13 27.777 0.004 . 1 1.00 . . . 41 PRO CG . 16361 1 438 . 1 1 42 42 CYS H H 1 9.233 0.000 . 1 1.00 . . . 42 CYS H . 16361 1 439 . 1 1 42 42 CYS HA H 1 4.125 0.003 . 1 1.00 . . . 42 CYS HA . 16361 1 440 . 1 1 42 42 CYS HB2 H 1 3.165 0.002 . 1 1.00 . . . 42 CYS HB2 . 16361 1 441 . 1 1 42 42 CYS HB3 H 1 2.576 0.008 . 1 1.00 . . . 42 CYS HB3 . 16361 1 442 . 1 1 42 42 CYS CA C 13 63.917 0.111 . 1 1.00 . . . 42 CYS CA . 16361 1 443 . 1 1 42 42 CYS CB C 13 25.745 0.001 . 1 1.00 . . . 42 CYS CB . 16361 1 444 . 1 1 42 42 CYS N N 15 118.785 0.000 . 1 1.00 . . . 42 CYS N . 16361 1 445 . 1 1 43 43 GLU H H 1 8.950 0.000 . 1 1.00 . . . 43 GLU H . 16361 1 446 . 1 1 43 43 GLU HA H 1 4.037 0.000 . 1 1.00 . . . 43 GLU HA . 16361 1 447 . 1 1 43 43 GLU HB2 H 1 2.184 0.003 . 1 1.00 . . . 43 GLU HB2 . 16361 1 448 . 1 1 43 43 GLU HB3 H 1 2.036 0.003 . 1 1.00 . . . 43 GLU HB3 . 16361 1 449 . 1 1 43 43 GLU HG2 H 1 2.437 0.010 . 1 1.00 . . . 43 GLU HG2 . 16361 1 450 . 1 1 43 43 GLU HG3 H 1 2.401 0.023 . 1 1.00 . . . 43 GLU HG3 . 16361 1 451 . 1 1 43 43 GLU CA C 13 59.833 0.000 . 1 1.00 . . . 43 GLU CA . 16361 1 452 . 1 1 43 43 GLU CB C 13 29.420 0.000 . 1 1.00 . . . 43 GLU CB . 16361 1 453 . 1 1 43 43 GLU CG C 13 36.308 0.003 . 1 1.00 . . . 43 GLU CG . 16361 1 454 . 1 1 43 43 GLU N N 15 120.987 0.000 . 1 1.00 . . . 43 GLU N . 16361 1 455 . 1 1 44 44 ARG H H 1 8.574 0.000 . 1 1.00 . . . 44 ARG H . 16361 1 456 . 1 1 44 44 ARG HA H 1 4.163 0.000 . 1 1.00 . . . 44 ARG HA . 16361 1 457 . 1 1 44 44 ARG HB2 H 1 2.197 0.000 . 1 1.00 . . . 44 ARG HB2 . 16361 1 458 . 1 1 44 44 ARG HB3 H 1 2.131 0.014 . 1 1.00 . . . 44 ARG HB3 . 16361 1 459 . 1 1 44 44 ARG HD2 H 1 3.313 0.000 . 2 1.00 . . . 44 ARG HD2 . 16361 1 460 . 1 1 44 44 ARG HD3 H 1 3.313 0.000 . 2 1.00 . . . 44 ARG HD3 . 16361 1 461 . 1 1 44 44 ARG HG2 H 1 1.683 0.011 . 2 1.00 . . . 44 ARG HG2 . 16361 1 462 . 1 1 44 44 ARG HG3 H 1 1.683 0.011 . 2 1.00 . . . 44 ARG HG3 . 16361 1 463 . 1 1 44 44 ARG CA C 13 60.390 0.000 . 1 1.00 . . . 44 ARG CA . 16361 1 464 . 1 1 44 44 ARG CB C 13 30.680 0.043 . 1 1.00 . . . 44 ARG CB . 16361 1 465 . 1 1 44 44 ARG CD C 13 43.932 0.000 . 1 1.00 . . . 44 ARG CD . 16361 1 466 . 1 1 44 44 ARG CG C 13 29.300 0.000 . 1 1.00 . . . 44 ARG CG . 16361 1 467 . 1 1 44 44 ARG N N 15 118.522 0.000 . 1 1.00 . . . 44 ARG N . 16361 1 468 . 1 1 45 45 LEU H H 1 8.775 0.000 . 1 1.00 . . . 45 LEU H . 16361 1 469 . 1 1 45 45 LEU HA H 1 3.741 0.005 . 1 1.00 . . . 45 LEU HA . 16361 1 470 . 1 1 45 45 LEU HB2 H 1 2.088 0.008 . 1 1.00 . . . 45 LEU HB2 . 16361 1 471 . 1 1 45 45 LEU HB3 H 1 1.259 0.010 . 1 1.00 . . . 45 LEU HB3 . 16361 1 472 . 1 1 45 45 LEU HD11 H 1 0.997 0.000 . 1 1.00 . . . 45 LEU HD1 . 16361 1 473 . 1 1 45 45 LEU HD12 H 1 0.997 0.000 . 1 1.00 . . . 45 LEU HD1 . 16361 1 474 . 1 1 45 45 LEU HD13 H 1 0.997 0.000 . 1 1.00 . . . 45 LEU HD1 . 16361 1 475 . 1 1 45 45 LEU HD21 H 1 0.457 0.000 . 1 1.00 . . . 45 LEU HD2 . 16361 1 476 . 1 1 45 45 LEU HD22 H 1 0.457 0.000 . 1 1.00 . . . 45 LEU HD2 . 16361 1 477 . 1 1 45 45 LEU HD23 H 1 0.457 0.000 . 1 1.00 . . . 45 LEU HD2 . 16361 1 478 . 1 1 45 45 LEU HG H 1 1.393 0.008 . 1 1.00 . . . 45 LEU HG . 16361 1 479 . 1 1 45 45 LEU CA C 13 58.789 0.014 . 1 1.00 . . . 45 LEU CA . 16361 1 480 . 1 1 45 45 LEU CB C 13 41.253 0.004 . 1 1.00 . . . 45 LEU CB . 16361 1 481 . 1 1 45 45 LEU CD1 C 13 26.739 0.000 . 1 1.00 . . . 45 LEU CD1 . 16361 1 482 . 1 1 45 45 LEU CD2 C 13 23.435 0.000 . 1 1.00 . . . 45 LEU CD2 . 16361 1 483 . 1 1 45 45 LEU CG C 13 27.306 0.000 . 1 1.00 . . . 45 LEU CG . 16361 1 484 . 1 1 45 45 LEU N N 15 123.412 0.000 . 1 1.00 . . . 45 LEU N . 16361 1 485 . 1 1 46 46 LEU H H 1 8.841 0.000 . 1 1.00 . . . 46 LEU H . 16361 1 486 . 1 1 46 46 LEU HA H 1 4.116 0.000 . 1 1.00 . . . 46 LEU HA . 16361 1 487 . 1 1 46 46 LEU HB2 H 1 2.049 0.002 . 1 1.00 . . . 46 LEU HB2 . 16361 1 488 . 1 1 46 46 LEU HB3 H 1 1.536 0.000 . 1 1.00 . . . 46 LEU HB3 . 16361 1 489 . 1 1 46 46 LEU HD11 H 1 0.824 0.000 . 1 1.00 . . . 46 LEU HD1 . 16361 1 490 . 1 1 46 46 LEU HD12 H 1 0.824 0.000 . 1 1.00 . . . 46 LEU HD1 . 16361 1 491 . 1 1 46 46 LEU HD13 H 1 0.824 0.000 . 1 1.00 . . . 46 LEU HD1 . 16361 1 492 . 1 1 46 46 LEU HD21 H 1 0.782 0.000 . 1 1.00 . . . 46 LEU HD2 . 16361 1 493 . 1 1 46 46 LEU HD22 H 1 0.782 0.000 . 1 1.00 . . . 46 LEU HD2 . 16361 1 494 . 1 1 46 46 LEU HD23 H 1 0.782 0.000 . 1 1.00 . . . 46 LEU HD2 . 16361 1 495 . 1 1 46 46 LEU HG H 1 2.172 0.013 . 1 1.00 . . . 46 LEU HG . 16361 1 496 . 1 1 46 46 LEU CA C 13 58.205 0.000 . 1 1.00 . . . 46 LEU CA . 16361 1 497 . 1 1 46 46 LEU CB C 13 40.194 0.080 . 1 1.00 . . . 46 LEU CB . 16361 1 498 . 1 1 46 46 LEU CD1 C 13 25.803 0.000 . 1 1.00 . . . 46 LEU CD1 . 16361 1 499 . 1 1 46 46 LEU CD2 C 13 21.922 0.000 . 1 1.00 . . . 46 LEU CD2 . 16361 1 500 . 1 1 46 46 LEU CG C 13 26.938 0.000 . 1 1.00 . . . 46 LEU CG . 16361 1 501 . 1 1 46 46 LEU N N 15 117.754 0.000 . 1 1.00 . . . 46 LEU N . 16361 1 502 . 1 1 47 47 SER H H 1 8.465 0.000 . 1 1.00 . . . 47 SER H . 16361 1 503 . 1 1 47 47 SER HA H 1 4.354 0.021 . 1 1.00 . . . 47 SER HA . 16361 1 504 . 1 1 47 47 SER HB2 H 1 4.127 0.005 . 1 1.00 . . . 47 SER HB2 . 16361 1 505 . 1 1 47 47 SER HB3 H 1 4.040 0.005 . 1 1.00 . . . 47 SER HB3 . 16361 1 506 . 1 1 47 47 SER CA C 13 62.004 0.018 . 1 1.00 . . . 47 SER CA . 16361 1 507 . 1 1 47 47 SER CB C 13 62.684 0.000 . 1 1.00 . . . 47 SER CB . 16361 1 508 . 1 1 47 47 SER N N 15 116.879 0.000 . 1 1.00 . . . 47 SER N . 16361 1 509 . 1 1 48 48 ARG H H 1 7.731 0.000 . 1 1.00 . . . 48 ARG H . 16361 1 510 . 1 1 48 48 ARG HA H 1 4.019 0.015 . 1 1.00 . . . 48 ARG HA . 16361 1 511 . 1 1 48 48 ARG HB2 H 1 1.976 0.005 . 1 1.00 . . . 48 ARG HB2 . 16361 1 512 . 1 1 48 48 ARG HB3 H 1 1.742 0.034 . 1 1.00 . . . 48 ARG HB3 . 16361 1 513 . 1 1 48 48 ARG HD2 H 1 3.183 0.000 . 2 1.00 . . . 48 ARG HD2 . 16361 1 514 . 1 1 48 48 ARG HD3 H 1 3.183 0.000 . 2 1.00 . . . 48 ARG HD3 . 16361 1 515 . 1 1 48 48 ARG HG2 H 1 1.593 0.006 . 1 1.00 . . . 48 ARG HG2 . 16361 1 516 . 1 1 48 48 ARG HG3 H 1 1.192 0.017 . 1 1.00 . . . 48 ARG HG3 . 16361 1 517 . 1 1 48 48 ARG CA C 13 57.495 0.063 . 1 1.00 . . . 48 ARG CA . 16361 1 518 . 1 1 48 48 ARG CB C 13 28.638 0.009 . 1 1.00 . . . 48 ARG CB . 16361 1 519 . 1 1 48 48 ARG CD C 13 42.143 0.000 . 1 1.00 . . . 48 ARG CD . 16361 1 520 . 1 1 48 48 ARG CG C 13 26.024 0.002 . 1 1.00 . . . 48 ARG CG . 16361 1 521 . 1 1 48 48 ARG N N 15 122.464 0.000 . 1 1.00 . . . 48 ARG N . 16361 1 522 . 1 1 49 49 VAL H H 1 8.030 0.000 . 1 1.00 . . . 49 VAL H . 16361 1 523 . 1 1 49 49 VAL HA H 1 3.234 0.000 . 1 1.00 . . . 49 VAL HA . 16361 1 524 . 1 1 49 49 VAL HB H 1 2.310 0.000 . 1 1.00 . . . 49 VAL HB . 16361 1 525 . 1 1 49 49 VAL HG11 H 1 1.063 0.000 . 1 1.00 . . . 49 VAL HG1 . 16361 1 526 . 1 1 49 49 VAL HG12 H 1 1.063 0.000 . 1 1.00 . . . 49 VAL HG1 . 16361 1 527 . 1 1 49 49 VAL HG13 H 1 1.063 0.000 . 1 1.00 . . . 49 VAL HG1 . 16361 1 528 . 1 1 49 49 VAL HG21 H 1 0.539 0.000 . 1 1.00 . . . 49 VAL HG2 . 16361 1 529 . 1 1 49 49 VAL HG22 H 1 0.539 0.000 . 1 1.00 . . . 49 VAL HG2 . 16361 1 530 . 1 1 49 49 VAL HG23 H 1 0.539 0.000 . 1 1.00 . . . 49 VAL HG2 . 16361 1 531 . 1 1 49 49 VAL CA C 13 67.046 0.000 . 1 1.00 . . . 49 VAL CA . 16361 1 532 . 1 1 49 49 VAL CB C 13 31.285 0.000 . 1 1.00 . . . 49 VAL CB . 16361 1 533 . 1 1 49 49 VAL CG1 C 13 23.965 0.000 . 1 1.00 . . . 49 VAL CG1 . 16361 1 534 . 1 1 49 49 VAL CG2 C 13 22.556 0.000 . 1 1.00 . . . 49 VAL CG2 . 16361 1 535 . 1 1 49 49 VAL N N 15 118.178 0.000 . 1 1.00 . . . 49 VAL N . 16361 1 536 . 1 1 50 50 ALA H H 1 7.528 0.000 . 1 1.00 . . . 50 ALA H . 16361 1 537 . 1 1 50 50 ALA HA H 1 3.869 0.000 . 1 1.00 . . . 50 ALA HA . 16361 1 538 . 1 1 50 50 ALA HB1 H 1 1.590 0.000 . 1 1.00 . . . 50 ALA HB . 16361 1 539 . 1 1 50 50 ALA HB2 H 1 1.590 0.000 . 1 1.00 . . . 50 ALA HB . 16361 1 540 . 1 1 50 50 ALA HB3 H 1 1.590 0.000 . 1 1.00 . . . 50 ALA HB . 16361 1 541 . 1 1 50 50 ALA CA C 13 54.858 0.000 . 1 1.00 . . . 50 ALA CA . 16361 1 542 . 1 1 50 50 ALA CB C 13 17.952 0.000 . 1 1.00 . . . 50 ALA CB . 16361 1 543 . 1 1 50 50 ALA N N 15 118.493 0.000 . 1 1.00 . . . 50 ALA N . 16361 1 544 . 1 1 51 51 VAL H H 1 7.202 0.000 . 1 1.00 . . . 51 VAL H . 16361 1 545 . 1 1 51 51 VAL HA H 1 3.784 0.000 . 1 1.00 . . . 51 VAL HA . 16361 1 546 . 1 1 51 51 VAL HB H 1 2.106 0.000 . 1 1.00 . . . 51 VAL HB . 16361 1 547 . 1 1 51 51 VAL HG11 H 1 1.068 0.000 . 1 1.00 . . . 51 VAL HG1 . 16361 1 548 . 1 1 51 51 VAL HG12 H 1 1.068 0.000 . 1 1.00 . . . 51 VAL HG1 . 16361 1 549 . 1 1 51 51 VAL HG13 H 1 1.068 0.000 . 1 1.00 . . . 51 VAL HG1 . 16361 1 550 . 1 1 51 51 VAL HG21 H 1 0.918 0.000 . 1 1.00 . . . 51 VAL HG2 . 16361 1 551 . 1 1 51 51 VAL HG22 H 1 0.918 0.000 . 1 1.00 . . . 51 VAL HG2 . 16361 1 552 . 1 1 51 51 VAL HG23 H 1 0.918 0.000 . 1 1.00 . . . 51 VAL HG2 . 16361 1 553 . 1 1 51 51 VAL CA C 13 64.607 0.000 . 1 1.00 . . . 51 VAL CA . 16361 1 554 . 1 1 51 51 VAL CB C 13 32.097 0.000 . 1 1.00 . . . 51 VAL CB . 16361 1 555 . 1 1 51 51 VAL CG1 C 13 22.333 0.000 . 1 1.00 . . . 51 VAL CG1 . 16361 1 556 . 1 1 51 51 VAL CG2 C 13 21.266 0.000 . 1 1.00 . . . 51 VAL CG2 . 16361 1 557 . 1 1 51 51 VAL N N 15 114.134 0.000 . 1 1.00 . . . 51 VAL N . 16361 1 558 . 1 1 52 52 LEU H H 1 7.557 0.000 . 1 1.00 . . . 52 LEU H . 16361 1 559 . 1 1 52 52 LEU HA H 1 3.887 0.014 . 1 1.00 . . . 52 LEU HA . 16361 1 560 . 1 1 52 52 LEU HB2 H 1 1.340 0.018 . 1 1.00 . . . 52 LEU HB2 . 16361 1 561 . 1 1 52 52 LEU HB3 H 1 0.805 0.014 . 1 1.00 . . . 52 LEU HB3 . 16361 1 562 . 1 1 52 52 LEU HD11 H 1 0.604 0.006 . 1 1.00 . . . 52 LEU HD1 . 16361 1 563 . 1 1 52 52 LEU HD12 H 1 0.604 0.006 . 1 1.00 . . . 52 LEU HD1 . 16361 1 564 . 1 1 52 52 LEU HD13 H 1 0.604 0.006 . 1 1.00 . . . 52 LEU HD1 . 16361 1 565 . 1 1 52 52 LEU HD21 H 1 0.239 0.010 . 1 1.00 . . . 52 LEU HD2 . 16361 1 566 . 1 1 52 52 LEU HD22 H 1 0.239 0.010 . 1 1.00 . . . 52 LEU HD2 . 16361 1 567 . 1 1 52 52 LEU HD23 H 1 0.239 0.010 . 1 1.00 . . . 52 LEU HD2 . 16361 1 568 . 1 1 52 52 LEU HG H 1 1.303 0.000 . 1 1.00 . . . 52 LEU HG . 16361 1 569 . 1 1 52 52 LEU CA C 13 56.099 0.090 . 1 1.00 . . . 52 LEU CA . 16361 1 570 . 1 1 52 52 LEU CB C 13 42.930 0.003 . 1 1.00 . . . 52 LEU CB . 16361 1 571 . 1 1 52 52 LEU CD1 C 13 23.132 0.014 . 1 1.00 . . . 52 LEU CD1 . 16361 1 572 . 1 1 52 52 LEU CD2 C 13 26.074 0.000 . 1 1.00 . . . 52 LEU CD2 . 16361 1 573 . 1 1 52 52 LEU CG C 13 26.369 0.000 . 1 1.00 . . . 52 LEU CG . 16361 1 574 . 1 1 52 52 LEU N N 15 119.807 0.000 . 1 1.00 . . . 52 LEU N . 16361 1 575 . 1 1 53 53 PHE H H 1 7.346 0.000 . 1 1.00 . . . 53 PHE H . 16361 1 576 . 1 1 53 53 PHE HA H 1 4.958 0.000 . 1 1.00 . . . 53 PHE HA . 16361 1 577 . 1 1 53 53 PHE HB2 H 1 2.807 0.000 . 2 1.00 . . . 53 PHE HB2 . 16361 1 578 . 1 1 53 53 PHE HB3 H 1 2.807 0.000 . 2 1.00 . . . 53 PHE HB3 . 16361 1 579 . 1 1 53 53 PHE HD1 H 1 7.328 0.000 . 3 1.00 . . . 53 PHE HD1 . 16361 1 580 . 1 1 53 53 PHE HD2 H 1 7.328 0.000 . 3 1.00 . . . 53 PHE HD2 . 16361 1 581 . 1 1 53 53 PHE HE1 H 1 6.864 0.005 . 3 1.00 . . . 53 PHE HE1 . 16361 1 582 . 1 1 53 53 PHE HE2 H 1 6.864 0.005 . 3 1.00 . . . 53 PHE HE2 . 16361 1 583 . 1 1 53 53 PHE HZ H 1 6.979 0.000 . 1 1.00 . . . 53 PHE HZ . 16361 1 584 . 1 1 53 53 PHE CA C 13 54.563 0.000 . 1 1.00 . . . 53 PHE CA . 16361 1 585 . 1 1 53 53 PHE CB C 13 38.923 0.017 . 1 1.00 . . . 53 PHE CB . 16361 1 586 . 1 1 53 53 PHE CD1 C 13 133.085 0.000 . 3 1.00 . . . 53 PHE CD1 . 16361 1 587 . 1 1 53 53 PHE CD2 C 13 133.085 0.000 . 3 1.00 . . . 53 PHE CD2 . 16361 1 588 . 1 1 53 53 PHE CE1 C 13 130.035 0.000 . 3 1.00 . . . 53 PHE CE1 . 16361 1 589 . 1 1 53 53 PHE CE2 C 13 130.035 0.000 . 3 1.00 . . . 53 PHE CE2 . 16361 1 590 . 1 1 53 53 PHE CZ C 13 128.612 0.000 . 1 1.00 . . . 53 PHE CZ . 16361 1 591 . 1 1 53 53 PHE N N 15 115.924 0.000 . 1 1.00 . . . 53 PHE N . 16361 1 592 . 1 1 54 54 PRO HA H 1 4.481 0.021 . 1 1.00 . . . 54 PRO HA . 16361 1 593 . 1 1 54 54 PRO HB2 H 1 2.368 0.005 . 1 1.00 . . . 54 PRO HB2 . 16361 1 594 . 1 1 54 54 PRO HB3 H 1 1.982 0.003 . 1 1.00 . . . 54 PRO HB3 . 16361 1 595 . 1 1 54 54 PRO HD2 H 1 3.758 0.000 . 2 1.00 . . . 54 PRO HD2 . 16361 1 596 . 1 1 54 54 PRO HD3 H 1 3.758 0.000 . 2 1.00 . . . 54 PRO HD3 . 16361 1 597 . 1 1 54 54 PRO HG2 H 1 1.984 0.000 . 2 1.00 . . . 54 PRO HG2 . 16361 1 598 . 1 1 54 54 PRO HG3 H 1 1.984 0.000 . 2 1.00 . . . 54 PRO HG3 . 16361 1 599 . 1 1 54 54 PRO CA C 13 64.418 0.000 . 1 1.00 . . . 54 PRO CA . 16361 1 600 . 1 1 54 54 PRO CB C 13 32.027 0.021 . 1 1.00 . . . 54 PRO CB . 16361 1 601 . 1 1 54 54 PRO CD C 13 50.914 0.000 . 1 1.00 . . . 54 PRO CD . 16361 1 602 . 1 1 54 54 PRO CG C 13 27.152 0.000 . 1 1.00 . . . 54 PRO CG . 16361 1 603 . 1 1 55 55 ALA H H 1 8.281 0.000 . 1 1.00 . . . 55 ALA H . 16361 1 604 . 1 1 55 55 ALA HA H 1 4.272 0.000 . 1 1.00 . . . 55 ALA HA . 16361 1 605 . 1 1 55 55 ALA HB1 H 1 1.348 0.000 . 1 1.00 . . . 55 ALA HB . 16361 1 606 . 1 1 55 55 ALA HB2 H 1 1.348 0.000 . 1 1.00 . . . 55 ALA HB . 16361 1 607 . 1 1 55 55 ALA HB3 H 1 1.348 0.000 . 1 1.00 . . . 55 ALA HB . 16361 1 608 . 1 1 55 55 ALA CA C 13 53.140 0.000 . 1 1.00 . . . 55 ALA CA . 16361 1 609 . 1 1 55 55 ALA N N 15 118.268 0.000 . 1 1.00 . . . 55 ALA N . 16361 1 610 . 1 1 56 56 LEU H H 1 7.940 0.000 . 1 1.00 . . . 56 LEU H . 16361 1 611 . 1 1 56 56 LEU HA H 1 4.399 0.009 . 1 1.00 . . . 56 LEU HA . 16361 1 612 . 1 1 56 56 LEU HB2 H 1 1.782 0.003 . 1 1.00 . . . 56 LEU HB2 . 16361 1 613 . 1 1 56 56 LEU HB3 H 1 1.175 0.016 . 1 1.00 . . . 56 LEU HB3 . 16361 1 614 . 1 1 56 56 LEU HD11 H 1 -0.019 0.000 . 1 1.00 . . . 56 LEU HD1 . 16361 1 615 . 1 1 56 56 LEU HD12 H 1 -0.019 0.000 . 1 1.00 . . . 56 LEU HD1 . 16361 1 616 . 1 1 56 56 LEU HD13 H 1 -0.019 0.000 . 1 1.00 . . . 56 LEU HD1 . 16361 1 617 . 1 1 56 56 LEU HD21 H 1 0.549 0.000 . 1 1.00 . . . 56 LEU HD2 . 16361 1 618 . 1 1 56 56 LEU HD22 H 1 0.549 0.000 . 1 1.00 . . . 56 LEU HD2 . 16361 1 619 . 1 1 56 56 LEU HD23 H 1 0.549 0.000 . 1 1.00 . . . 56 LEU HD2 . 16361 1 620 . 1 1 56 56 LEU HG H 1 1.529 0.010 . 1 1.00 . . . 56 LEU HG . 16361 1 621 . 1 1 56 56 LEU CA C 13 54.394 0.028 . 1 1.00 . . . 56 LEU CA . 16361 1 622 . 1 1 56 56 LEU CB C 13 42.239 0.018 . 1 1.00 . . . 56 LEU CB . 16361 1 623 . 1 1 56 56 LEU CD1 C 13 25.913 0.000 . 1 1.00 . . . 56 LEU CD1 . 16361 1 624 . 1 1 56 56 LEU CD2 C 13 22.154 0.000 . 1 1.00 . . . 56 LEU CD2 . 16361 1 625 . 1 1 56 56 LEU CG C 13 26.437 0.000 . 1 1.00 . . . 56 LEU CG . 16361 1 626 . 1 1 56 56 LEU N N 15 117.493 0.000 . 1 1.00 . . . 56 LEU N . 16361 1 627 . 1 1 57 57 ARG H H 1 8.677 0.000 . 1 1.00 . . . 57 ARG H . 16361 1 628 . 1 1 57 57 ARG HA H 1 4.876 0.000 . 1 1.00 . . . 57 ARG HA . 16361 1 629 . 1 1 57 57 ARG HB2 H 1 1.869 0.005 . 1 1.00 . . . 57 ARG HB2 . 16361 1 630 . 1 1 57 57 ARG HB3 H 1 1.773 0.003 . 1 1.00 . . . 57 ARG HB3 . 16361 1 631 . 1 1 57 57 ARG HD2 H 1 3.304 0.002 . 1 1.00 . . . 57 ARG HD2 . 16361 1 632 . 1 1 57 57 ARG HD3 H 1 3.269 0.001 . 1 1.00 . . . 57 ARG HD3 . 16361 1 633 . 1 1 57 57 ARG HG2 H 1 1.765 0.000 . 1 1.00 . . . 57 ARG HG2 . 16361 1 634 . 1 1 57 57 ARG HG3 H 1 1.722 0.000 . 1 1.00 . . . 57 ARG HG3 . 16361 1 635 . 1 1 57 57 ARG CA C 13 53.049 0.000 . 1 1.00 . . . 57 ARG CA . 16361 1 636 . 1 1 57 57 ARG CB C 13 30.888 0.002 . 1 1.00 . . . 57 ARG CB . 16361 1 637 . 1 1 57 57 ARG CD C 13 43.257 0.002 . 1 1.00 . . . 57 ARG CD . 16361 1 638 . 1 1 57 57 ARG CG C 13 26.988 0.005 . 1 1.00 . . . 57 ARG CG . 16361 1 639 . 1 1 57 57 ARG N N 15 121.192 0.000 . 1 1.00 . . . 57 ARG N . 16361 1 640 . 1 1 58 58 PRO HA H 1 4.396 0.000 . 1 1.00 . . . 58 PRO HA . 16361 1 641 . 1 1 58 58 PRO HB2 H 1 2.351 0.012 . 1 1.00 . . . 58 PRO HB2 . 16361 1 642 . 1 1 58 58 PRO HB3 H 1 1.933 0.002 . 1 1.00 . . . 58 PRO HB3 . 16361 1 643 . 1 1 58 58 PRO HD2 H 1 3.996 0.008 . 1 1.00 . . . 58 PRO HD2 . 16361 1 644 . 1 1 58 58 PRO HD3 H 1 3.675 0.003 . 1 1.00 . . . 58 PRO HD3 . 16361 1 645 . 1 1 58 58 PRO HG2 H 1 2.213 0.008 . 1 1.00 . . . 58 PRO HG2 . 16361 1 646 . 1 1 58 58 PRO HG3 H 1 2.022 0.013 . 1 1.00 . . . 58 PRO HG3 . 16361 1 647 . 1 1 58 58 PRO CA C 13 64.142 0.000 . 1 1.00 . . . 58 PRO CA . 16361 1 648 . 1 1 58 58 PRO CB C 13 31.508 0.043 . 1 1.00 . . . 58 PRO CB . 16361 1 649 . 1 1 58 58 PRO CD C 13 50.811 0.042 . 1 1.00 . . . 58 PRO CD . 16361 1 650 . 1 1 58 58 PRO CG C 13 28.047 0.004 . 1 1.00 . . . 58 PRO CG . 16361 1 651 . 1 1 59 59 GLY H H 1 8.731 0.000 . 1 1.00 . . . 59 GLY H . 16361 1 652 . 1 1 59 59 GLY HA2 H 1 4.099 0.000 . 1 1.00 . . . 59 GLY HA2 . 16361 1 653 . 1 1 59 59 GLY HA3 H 1 3.701 0.000 . 1 1.00 . . . 59 GLY HA3 . 16361 1 654 . 1 1 59 59 GLY CA C 13 45.764 0.001 . 1 1.00 . . . 59 GLY CA . 16361 1 655 . 1 1 59 59 GLY N N 15 113.419 0.000 . 1 1.00 . . . 59 GLY N . 16361 1 656 . 1 1 60 60 GLY H H 1 8.608 0.000 . 1 1.00 . . . 60 GLY H . 16361 1 657 . 1 1 60 60 GLY HA2 H 1 4.510 0.000 . 1 1.00 . . . 60 GLY HA2 . 16361 1 658 . 1 1 60 60 GLY HA3 H 1 3.701 0.000 . 1 1.00 . . . 60 GLY HA3 . 16361 1 659 . 1 1 60 60 GLY CA C 13 45.765 0.000 . 1 1.00 . . . 60 GLY CA . 16361 1 660 . 1 1 60 60 GLY N N 15 107.562 0.000 . 1 1.00 . . . 60 GLY N . 16361 1 661 . 1 1 61 61 PHE H H 1 7.178 0.000 . 1 1.00 . . . 61 PHE H . 16361 1 662 . 1 1 61 61 PHE HA H 1 5.360 0.003 . 1 1.00 . . . 61 PHE HA . 16361 1 663 . 1 1 61 61 PHE HB2 H 1 3.012 0.000 . 1 1.00 . . . 61 PHE HB2 . 16361 1 664 . 1 1 61 61 PHE HB3 H 1 2.764 0.000 . 1 1.00 . . . 61 PHE HB3 . 16361 1 665 . 1 1 61 61 PHE HD1 H 1 6.901 0.001 . 3 1.00 . . . 61 PHE HD1 . 16361 1 666 . 1 1 61 61 PHE HD2 H 1 6.901 0.001 . 3 1.00 . . . 61 PHE HD2 . 16361 1 667 . 1 1 61 61 PHE HE1 H 1 7.089 0.006 . 3 1.00 . . . 61 PHE HE1 . 16361 1 668 . 1 1 61 61 PHE HE2 H 1 7.089 0.006 . 3 1.00 . . . 61 PHE HE2 . 16361 1 669 . 1 1 61 61 PHE HZ H 1 7.489 0.000 . 1 1.00 . . . 61 PHE HZ . 16361 1 670 . 1 1 61 61 PHE CA C 13 55.610 0.039 . 1 1.00 . . . 61 PHE CA . 16361 1 671 . 1 1 61 61 PHE CB C 13 41.012 0.027 . 1 1.00 . . . 61 PHE CB . 16361 1 672 . 1 1 61 61 PHE CD1 C 13 133.021 0.000 . 3 1.00 . . . 61 PHE CD1 . 16361 1 673 . 1 1 61 61 PHE CD2 C 13 133.021 0.000 . 3 1.00 . . . 61 PHE CD2 . 16361 1 674 . 1 1 61 61 PHE CE1 C 13 130.857 0.000 . 3 1.00 . . . 61 PHE CE1 . 16361 1 675 . 1 1 61 61 PHE CE2 C 13 130.857 0.000 . 3 1.00 . . . 61 PHE CE2 . 16361 1 676 . 1 1 61 61 PHE CZ C 13 129.887 0.000 . 1 1.00 . . . 61 PHE CZ . 16361 1 677 . 1 1 61 61 PHE N N 15 114.628 0.000 . 1 1.00 . . . 61 PHE N . 16361 1 678 . 1 1 62 62 GLN H H 1 9.270 0.000 . 1 1.00 . . . 62 GLN H . 16361 1 679 . 1 1 62 62 GLN HA H 1 4.434 0.014 . 1 1.00 . . . 62 GLN HA . 16361 1 680 . 1 1 62 62 GLN HB2 H 1 1.905 0.011 . 1 1.00 . . . 62 GLN HB2 . 16361 1 681 . 1 1 62 62 GLN HB3 H 1 1.805 0.006 . 1 1.00 . . . 62 GLN HB3 . 16361 1 682 . 1 1 62 62 GLN HE21 H 1 7.574 0.000 . 1 1.00 . . . 62 GLN HE21 . 16361 1 683 . 1 1 62 62 GLN HE22 H 1 6.738 0.000 . 1 1.00 . . . 62 GLN HE22 . 16361 1 684 . 1 1 62 62 GLN HG2 H 1 1.985 0.007 . 1 1.00 . . . 62 GLN HG2 . 16361 1 685 . 1 1 62 62 GLN HG3 H 1 1.625 0.006 . 1 1.00 . . . 62 GLN HG3 . 16361 1 686 . 1 1 62 62 GLN CA C 13 54.006 0.098 . 1 1.00 . . . 62 GLN CA . 16361 1 687 . 1 1 62 62 GLN CB C 13 33.370 0.001 . 1 1.00 . . . 62 GLN CB . 16361 1 688 . 1 1 62 62 GLN CG C 13 34.368 0.001 . 1 1.00 . . . 62 GLN CG . 16361 1 689 . 1 1 62 62 GLN N N 15 120.154 0.000 . 1 1.00 . . . 62 GLN N . 16361 1 690 . 1 1 62 62 GLN NE2 N 15 116.063 0.000 . 1 1.00 . . . 62 GLN NE2 . 16361 1 691 . 1 1 63 63 ALA H H 1 9.521 0.000 . 1 1.00 . . . 63 ALA H . 16361 1 692 . 1 1 63 63 ALA HA H 1 4.888 0.000 . 1 1.00 . . . 63 ALA HA . 16361 1 693 . 1 1 63 63 ALA HB1 H 1 0.877 0.000 . 1 1.00 . . . 63 ALA HB . 16361 1 694 . 1 1 63 63 ALA HB2 H 1 0.877 0.000 . 1 1.00 . . . 63 ALA HB . 16361 1 695 . 1 1 63 63 ALA HB3 H 1 0.877 0.000 . 1 1.00 . . . 63 ALA HB . 16361 1 696 . 1 1 63 63 ALA CA C 13 51.272 0.000 . 1 1.00 . . . 63 ALA CA . 16361 1 697 . 1 1 63 63 ALA CB C 13 21.478 0.000 . 1 1.00 . . . 63 ALA CB . 16361 1 698 . 1 1 63 63 ALA N N 15 130.708 0.000 . 1 1.00 . . . 63 ALA N . 16361 1 699 . 1 1 64 64 HIS H H 1 8.307 0.000 . 1 1.00 . . . 64 HIS H . 16361 1 700 . 1 1 64 64 HIS HA H 1 5.902 0.009 . 1 1.00 . . . 64 HIS HA . 16361 1 701 . 1 1 64 64 HIS HB2 H 1 3.073 0.000 . 1 1.00 . . . 64 HIS HB2 . 16361 1 702 . 1 1 64 64 HIS HB3 H 1 2.948 0.000 . 1 1.00 . . . 64 HIS HB3 . 16361 1 703 . 1 1 64 64 HIS HD2 H 1 6.540 0.000 . 1 1.00 . . . 64 HIS HD2 . 16361 1 704 . 1 1 64 64 HIS CA C 13 55.127 0.061 . 1 1.00 . . . 64 HIS CA . 16361 1 705 . 1 1 64 64 HIS CB C 13 34.037 0.000 . 1 1.00 . . . 64 HIS CB . 16361 1 706 . 1 1 64 64 HIS N N 15 115.808 0.000 . 1 1.00 . . . 64 HIS N . 16361 1 707 . 1 1 65 65 TYR H H 1 9.527 0.000 . 1 1.00 . . . 65 TYR H . 16361 1 708 . 1 1 65 65 TYR HA H 1 5.628 0.005 . 1 1.00 . . . 65 TYR HA . 16361 1 709 . 1 1 65 65 TYR HB2 H 1 3.641 0.002 . 1 1.00 . . . 65 TYR HB2 . 16361 1 710 . 1 1 65 65 TYR HB3 H 1 2.950 0.010 . 1 1.00 . . . 65 TYR HB3 . 16361 1 711 . 1 1 65 65 TYR HD1 H 1 7.046 0.002 . 3 1.00 . . . 65 TYR HD1 . 16361 1 712 . 1 1 65 65 TYR HD2 H 1 7.046 0.002 . 3 1.00 . . . 65 TYR HD2 . 16361 1 713 . 1 1 65 65 TYR HE1 H 1 6.655 0.006 . 3 1.00 . . . 65 TYR HE1 . 16361 1 714 . 1 1 65 65 TYR HE2 H 1 6.655 0.006 . 3 1.00 . . . 65 TYR HE2 . 16361 1 715 . 1 1 65 65 TYR CA C 13 55.308 0.047 . 1 1.00 . . . 65 TYR CA . 16361 1 716 . 1 1 65 65 TYR CB C 13 41.277 0.058 . 1 1.00 . . . 65 TYR CB . 16361 1 717 . 1 1 65 65 TYR CD1 C 13 134.321 0.000 . 3 1.00 . . . 65 TYR CD1 . 16361 1 718 . 1 1 65 65 TYR CD2 C 13 134.321 0.000 . 3 1.00 . . . 65 TYR CD2 . 16361 1 719 . 1 1 65 65 TYR CE1 C 13 117.660 0.000 . 3 1.00 . . . 65 TYR CE1 . 16361 1 720 . 1 1 65 65 TYR CE2 C 13 117.660 0.000 . 3 1.00 . . . 65 TYR CE2 . 16361 1 721 . 1 1 65 65 TYR N N 15 120.377 0.000 . 1 1.00 . . . 65 TYR N . 16361 1 722 . 1 1 66 66 ARG H H 1 9.421 0.000 . 1 1.00 . . . 66 ARG H . 16361 1 723 . 1 1 66 66 ARG HA H 1 4.684 0.004 . 1 1.00 . . . 66 ARG HA . 16361 1 724 . 1 1 66 66 ARG HB2 H 1 1.675 0.013 . 1 1.00 . . . 66 ARG HB2 . 16361 1 725 . 1 1 66 66 ARG HB3 H 1 1.487 0.016 . 1 1.00 . . . 66 ARG HB3 . 16361 1 726 . 1 1 66 66 ARG HD2 H 1 3.002 0.001 . 1 1.00 . . . 66 ARG HD2 . 16361 1 727 . 1 1 66 66 ARG HD3 H 1 2.852 0.008 . 1 1.00 . . . 66 ARG HD3 . 16361 1 728 . 1 1 66 66 ARG HG2 H 1 1.354 0.003 . 1 1.00 . . . 66 ARG HG2 . 16361 1 729 . 1 1 66 66 ARG HG3 H 1 1.166 0.010 . 1 1.00 . . . 66 ARG HG3 . 16361 1 730 . 1 1 66 66 ARG CA C 13 55.526 0.085 . 1 1.00 . . . 66 ARG CA . 16361 1 731 . 1 1 66 66 ARG CB C 13 31.592 0.063 . 1 1.00 . . . 66 ARG CB . 16361 1 732 . 1 1 66 66 ARG CD C 13 43.380 0.004 . 1 1.00 . . . 66 ARG CD . 16361 1 733 . 1 1 66 66 ARG CG C 13 27.691 0.011 . 1 1.00 . . . 66 ARG CG . 16361 1 734 . 1 1 66 66 ARG N N 15 121.220 0.000 . 1 1.00 . . . 66 ARG N . 16361 1 735 . 1 1 67 67 ALA H H 1 8.520 0.000 . 1 1.00 . . . 67 ALA H . 16361 1 736 . 1 1 67 67 ALA HA H 1 4.151 0.000 . 1 1.00 . . . 67 ALA HA . 16361 1 737 . 1 1 67 67 ALA HB1 H 1 1.314 0.000 . 1 1.00 . . . 67 ALA HB . 16361 1 738 . 1 1 67 67 ALA HB2 H 1 1.314 0.000 . 1 1.00 . . . 67 ALA HB . 16361 1 739 . 1 1 67 67 ALA HB3 H 1 1.314 0.000 . 1 1.00 . . . 67 ALA HB . 16361 1 740 . 1 1 67 67 ALA CA C 13 50.603 0.000 . 1 1.00 . . . 67 ALA CA . 16361 1 741 . 1 1 67 67 ALA CB C 13 19.526 0.000 . 1 1.00 . . . 67 ALA CB . 16361 1 742 . 1 1 67 67 ALA N N 15 129.646 0.000 . 1 1.00 . . . 67 ALA N . 16361 1 743 . 1 1 68 68 GLU HA H 1 4.344 0.000 . 1 1.00 . . . 68 GLU HA . 16361 1 744 . 1 1 68 68 GLU HB2 H 1 2.264 0.000 . 2 1.00 . . . 68 GLU HB2 . 16361 1 745 . 1 1 68 68 GLU HB3 H 1 2.264 0.000 . 2 1.00 . . . 68 GLU HB3 . 16361 1 746 . 1 1 68 68 GLU HG2 H 1 2.431 0.000 . 1 1.00 . . . 68 GLU HG2 . 16361 1 747 . 1 1 68 68 GLU HG3 H 1 2.395 0.000 . 1 1.00 . . . 68 GLU HG3 . 16361 1 748 . 1 1 68 68 GLU CA C 13 63.946 0.000 . 1 1.00 . . . 68 GLU CA . 16361 1 749 . 1 1 68 68 GLU CB C 13 31.469 0.000 . 1 1.00 . . . 68 GLU CB . 16361 1 750 . 1 1 68 68 GLU CG C 13 36.381 0.007 . 1 1.00 . . . 68 GLU CG . 16361 1 751 . 1 1 69 69 ARG H H 1 8.587 0.000 . 1 1.00 . . . 69 ARG H . 16361 1 752 . 1 1 69 69 ARG HA H 1 4.218 0.000 . 1 1.00 . . . 69 ARG HA . 16361 1 753 . 1 1 69 69 ARG HB2 H 1 1.998 0.000 . 1 1.00 . . . 69 ARG HB2 . 16361 1 754 . 1 1 69 69 ARG HB3 H 1 1.935 0.003 . 1 1.00 . . . 69 ARG HB3 . 16361 1 755 . 1 1 69 69 ARG HD2 H 1 3.250 0.002 . 1 1.00 . . . 69 ARG HD2 . 16361 1 756 . 1 1 69 69 ARG HD3 H 1 3.220 0.007 . 1 1.00 . . . 69 ARG HD3 . 16361 1 757 . 1 1 69 69 ARG HG2 H 1 1.638 0.000 . 2 1.00 . . . 69 ARG HG2 . 16361 1 758 . 1 1 69 69 ARG HG3 H 1 1.638 0.000 . 2 1.00 . . . 69 ARG HG3 . 16361 1 759 . 1 1 69 69 ARG CA C 13 56.785 0.000 . 1 1.00 . . . 69 ARG CA . 16361 1 760 . 1 1 69 69 ARG CB C 13 29.257 0.000 . 1 1.00 . . . 69 ARG CB . 16361 1 761 . 1 1 69 69 ARG CD C 13 43.331 0.006 . 1 1.00 . . . 69 ARG CD . 16361 1 762 . 1 1 69 69 ARG CG C 13 27.765 0.000 . 1 1.00 . . . 69 ARG CG . 16361 1 763 . 1 1 69 69 ARG N N 15 119.649 0.000 . 1 1.00 . . . 69 ARG N . 16361 1 764 . 1 1 70 70 GLY H H 1 8.035 0.000 . 1 1.00 . . . 70 GLY H . 16361 1 765 . 1 1 70 70 GLY HA2 H 1 4.248 0.000 . 1 1.00 . . . 70 GLY HA2 . 16361 1 766 . 1 1 70 70 GLY HA3 H 1 3.452 0.000 . 1 1.00 . . . 70 GLY HA3 . 16361 1 767 . 1 1 70 70 GLY CA C 13 45.218 0.000 . 1 1.00 . . . 70 GLY CA . 16361 1 768 . 1 1 70 70 GLY N N 15 106.764 0.000 . 1 1.00 . . . 70 GLY N . 16361 1 769 . 1 1 71 71 ASP H H 1 8.089 0.000 . 1 1.00 . . . 71 ASP H . 16361 1 770 . 1 1 71 71 ASP HA H 1 4.322 0.000 . 1 1.00 . . . 71 ASP HA . 16361 1 771 . 1 1 71 71 ASP HB2 H 1 2.466 0.014 . 1 1.00 . . . 71 ASP HB2 . 16361 1 772 . 1 1 71 71 ASP HB3 H 1 2.348 0.008 . 1 1.00 . . . 71 ASP HB3 . 16361 1 773 . 1 1 71 71 ASP CA C 13 53.716 0.000 . 1 1.00 . . . 71 ASP CA . 16361 1 774 . 1 1 71 71 ASP CB C 13 40.782 0.002 . 1 1.00 . . . 71 ASP CB . 16361 1 775 . 1 1 71 71 ASP N N 15 119.563 0.000 . 1 1.00 . . . 71 ASP N . 16361 1 776 . 1 1 72 72 LEU H H 1 8.283 0.000 . 1 1.00 . . . 72 LEU H . 16361 1 777 . 1 1 72 72 LEU HA H 1 4.494 0.032 . 1 1.00 . . . 72 LEU HA . 16361 1 778 . 1 1 72 72 LEU HB2 H 1 1.510 0.003 . 1 1.00 . . . 72 LEU HB2 . 16361 1 779 . 1 1 72 72 LEU HB3 H 1 0.777 0.011 . 1 1.00 . . . 72 LEU HB3 . 16361 1 780 . 1 1 72 72 LEU HD11 H 1 0.257 0.000 . 1 1.00 . . . 72 LEU HD1 . 16361 1 781 . 1 1 72 72 LEU HD12 H 1 0.257 0.000 . 1 1.00 . . . 72 LEU HD1 . 16361 1 782 . 1 1 72 72 LEU HD13 H 1 0.257 0.000 . 1 1.00 . . . 72 LEU HD1 . 16361 1 783 . 1 1 72 72 LEU HD21 H 1 0.046 0.000 . 1 1.00 . . . 72 LEU HD2 . 16361 1 784 . 1 1 72 72 LEU HD22 H 1 0.046 0.000 . 1 1.00 . . . 72 LEU HD2 . 16361 1 785 . 1 1 72 72 LEU HD23 H 1 0.046 0.000 . 1 1.00 . . . 72 LEU HD2 . 16361 1 786 . 1 1 72 72 LEU HG H 1 1.329 0.005 . 1 1.00 . . . 72 LEU HG . 16361 1 787 . 1 1 72 72 LEU CA C 13 54.411 0.016 . 1 1.00 . . . 72 LEU CA . 16361 1 788 . 1 1 72 72 LEU CB C 13 42.153 0.001 . 1 1.00 . . . 72 LEU CB . 16361 1 789 . 1 1 72 72 LEU CD1 C 13 25.187 0.000 . 1 1.00 . . . 72 LEU CD1 . 16361 1 790 . 1 1 72 72 LEU CD2 C 13 23.441 0.000 . 1 1.00 . . . 72 LEU CD2 . 16361 1 791 . 1 1 72 72 LEU CG C 13 26.421 0.000 . 1 1.00 . . . 72 LEU CG . 16361 1 792 . 1 1 72 72 LEU N N 15 120.244 0.000 . 1 1.00 . . . 72 LEU N . 16361 1 793 . 1 1 73 73 VAL H H 1 9.109 0.000 . 1 1.00 . . . 73 VAL H . 16361 1 794 . 1 1 73 73 VAL HA H 1 4.081 0.014 . 1 1.00 . . . 73 VAL HA . 16361 1 795 . 1 1 73 73 VAL HB H 1 0.797 0.000 . 1 1.00 . . . 73 VAL HB . 16361 1 796 . 1 1 73 73 VAL HG11 H 1 0.953 0.012 . 1 1.00 . . . 73 VAL HG1 . 16361 1 797 . 1 1 73 73 VAL HG12 H 1 0.953 0.012 . 1 1.00 . . . 73 VAL HG1 . 16361 1 798 . 1 1 73 73 VAL HG13 H 1 0.953 0.012 . 1 1.00 . . . 73 VAL HG1 . 16361 1 799 . 1 1 73 73 VAL HG21 H 1 0.575 0.010 . 1 1.00 . . . 73 VAL HG2 . 16361 1 800 . 1 1 73 73 VAL HG22 H 1 0.575 0.010 . 1 1.00 . . . 73 VAL HG2 . 16361 1 801 . 1 1 73 73 VAL HG23 H 1 0.575 0.010 . 1 1.00 . . . 73 VAL HG2 . 16361 1 802 . 1 1 73 73 VAL CA C 13 61.524 0.112 . 1 1.00 . . . 73 VAL CA . 16361 1 803 . 1 1 73 73 VAL CB C 13 33.322 0.000 . 1 1.00 . . . 73 VAL CB . 16361 1 804 . 1 1 73 73 VAL CG1 C 13 21.605 0.000 . 1 1.00 . . . 73 VAL CG1 . 16361 1 805 . 1 1 73 73 VAL CG2 C 13 21.314 0.000 . 1 1.00 . . . 73 VAL CG2 . 16361 1 806 . 1 1 73 73 VAL N N 15 126.563 0.000 . 1 1.00 . . . 73 VAL N . 16361 1 807 . 1 1 74 74 ALA H H 1 8.671 0.000 . 1 1.00 . . . 74 ALA H . 16361 1 808 . 1 1 74 74 ALA HA H 1 4.453 0.000 . 1 1.00 . . . 74 ALA HA . 16361 1 809 . 1 1 74 74 ALA HB1 H 1 1.124 0.000 . 1 1.00 . . . 74 ALA HB . 16361 1 810 . 1 1 74 74 ALA HB2 H 1 1.124 0.000 . 1 1.00 . . . 74 ALA HB . 16361 1 811 . 1 1 74 74 ALA HB3 H 1 1.124 0.000 . 1 1.00 . . . 74 ALA HB . 16361 1 812 . 1 1 74 74 ALA CA C 13 52.311 0.000 . 1 1.00 . . . 74 ALA CA . 16361 1 813 . 1 1 74 74 ALA CB C 13 18.823 0.000 . 1 1.00 . . . 74 ALA CB . 16361 1 814 . 1 1 74 74 ALA N N 15 130.232 0.000 . 1 1.00 . . . 74 ALA N . 16361 1 815 . 1 1 75 75 PHE H H 1 7.911 0.000 . 1 1.00 . . . 75 PHE H . 16361 1 816 . 1 1 75 75 PHE HA H 1 5.214 0.015 . 1 1.00 . . . 75 PHE HA . 16361 1 817 . 1 1 75 75 PHE HB2 H 1 3.170 0.015 . 1 1.00 . . . 75 PHE HB2 . 16361 1 818 . 1 1 75 75 PHE HB3 H 1 3.104 0.014 . 1 1.00 . . . 75 PHE HB3 . 16361 1 819 . 1 1 75 75 PHE HD1 H 1 7.313 0.002 . 3 1.00 . . . 75 PHE HD1 . 16361 1 820 . 1 1 75 75 PHE HD2 H 1 7.313 0.002 . 3 1.00 . . . 75 PHE HD2 . 16361 1 821 . 1 1 75 75 PHE HE1 H 1 7.211 0.001 . 3 1.00 . . . 75 PHE HE1 . 16361 1 822 . 1 1 75 75 PHE HE2 H 1 7.211 0.001 . 3 1.00 . . . 75 PHE HE2 . 16361 1 823 . 1 1 75 75 PHE HZ H 1 6.999 0.000 . 1 1.00 . . . 75 PHE HZ . 16361 1 824 . 1 1 75 75 PHE CA C 13 56.473 0.061 . 1 1.00 . . . 75 PHE CA . 16361 1 825 . 1 1 75 75 PHE CB C 13 43.268 0.026 . 1 1.00 . . . 75 PHE CB . 16361 1 826 . 1 1 75 75 PHE CD1 C 13 132.651 0.000 . 3 1.00 . . . 75 PHE CD1 . 16361 1 827 . 1 1 75 75 PHE CD2 C 13 132.651 0.000 . 3 1.00 . . . 75 PHE CD2 . 16361 1 828 . 1 1 75 75 PHE CE1 C 13 130.462 0.000 . 3 1.00 . . . 75 PHE CE1 . 16361 1 829 . 1 1 75 75 PHE CE2 C 13 130.462 0.000 . 3 1.00 . . . 75 PHE CE2 . 16361 1 830 . 1 1 75 75 PHE CZ C 13 128.664 0.000 . 1 1.00 . . . 75 PHE CZ . 16361 1 831 . 1 1 75 75 PHE N N 15 114.034 0.000 . 1 1.00 . . . 75 PHE N . 16361 1 832 . 1 1 76 76 SER HA H 1 4.407 0.013 . 1 1.00 . . . 76 SER HA . 16361 1 833 . 1 1 76 76 SER HB2 H 1 3.863 0.003 . 2 1.00 . . . 76 SER HB2 . 16361 1 834 . 1 1 76 76 SER HB3 H 1 3.863 0.003 . 2 1.00 . . . 76 SER HB3 . 16361 1 835 . 1 1 76 76 SER CA C 13 58.122 0.038 . 1 1.00 . . . 76 SER CA . 16361 1 836 . 1 1 76 76 SER CB C 13 64.342 0.000 . 1 1.00 . . . 76 SER CB . 16361 1 837 . 1 1 77 77 SER H H 1 7.953 0.000 . 1 1.00 . . . 77 SER H . 16361 1 838 . 1 1 77 77 SER HA H 1 5.147 0.015 . 1 1.00 . . . 77 SER HA . 16361 1 839 . 1 1 77 77 SER HB2 H 1 4.433 0.005 . 1 1.00 . . . 77 SER HB2 . 16361 1 840 . 1 1 77 77 SER HB3 H 1 4.023 0.003 . 1 1.00 . . . 77 SER HB3 . 16361 1 841 . 1 1 77 77 SER CA C 13 56.219 0.090 . 1 1.00 . . . 77 SER CA . 16361 1 842 . 1 1 77 77 SER CB C 13 68.069 0.000 . 1 1.00 . . . 77 SER CB . 16361 1 843 . 1 1 77 77 SER N N 15 116.284 0.000 . 1 1.00 . . . 77 SER N . 16361 1 844 . 1 1 78 78 ASP H H 1 9.351 0.000 . 1 1.00 . . . 78 ASP H . 16361 1 845 . 1 1 78 78 ASP HA H 1 4.515 0.000 . 1 1.00 . . . 78 ASP HA . 16361 1 846 . 1 1 78 78 ASP HB2 H 1 2.886 0.008 . 1 1.00 . . . 78 ASP HB2 . 16361 1 847 . 1 1 78 78 ASP HB3 H 1 2.733 0.015 . 1 1.00 . . . 78 ASP HB3 . 16361 1 848 . 1 1 78 78 ASP CA C 13 58.953 0.051 . 1 1.00 . . . 78 ASP CA . 16361 1 849 . 1 1 78 78 ASP CB C 13 40.543 0.004 . 1 1.00 . . . 78 ASP CB . 16361 1 850 . 1 1 78 78 ASP N N 15 123.186 0.000 . 1 1.00 . . . 78 ASP N . 16361 1 851 . 1 1 79 79 GLU H H 1 9.232 0.000 . 1 1.00 . . . 79 GLU H . 16361 1 852 . 1 1 79 79 GLU HA H 1 4.163 0.018 . 1 1.00 . . . 79 GLU HA . 16361 1 853 . 1 1 79 79 GLU HB2 H 1 2.204 0.000 . 1 1.00 . . . 79 GLU HB2 . 16361 1 854 . 1 1 79 79 GLU HB3 H 1 2.051 0.000 . 1 1.00 . . . 79 GLU HB3 . 16361 1 855 . 1 1 79 79 GLU HG2 H 1 2.448 0.011 . 1 1.00 . . . 79 GLU HG2 . 16361 1 856 . 1 1 79 79 GLU HG3 H 1 2.395 0.005 . 1 1.00 . . . 79 GLU HG3 . 16361 1 857 . 1 1 79 79 GLU CA C 13 60.390 0.069 . 1 1.00 . . . 79 GLU CA . 16361 1 858 . 1 1 79 79 GLU CB C 13 29.350 0.001 . 1 1.00 . . . 79 GLU CB . 16361 1 859 . 1 1 79 79 GLU CG C 13 36.721 0.000 . 1 1.00 . . . 79 GLU CG . 16361 1 860 . 1 1 79 79 GLU N N 15 121.421 0.000 . 1 1.00 . . . 79 GLU N . 16361 1 861 . 1 1 80 80 GLU H H 1 7.791 0.000 . 1 1.00 . . . 80 GLU H . 16361 1 862 . 1 1 80 80 GLU HA H 1 4.302 0.008 . 1 1.00 . . . 80 GLU HA . 16361 1 863 . 1 1 80 80 GLU HB2 H 1 2.470 0.006 . 1 1.00 . . . 80 GLU HB2 . 16361 1 864 . 1 1 80 80 GLU HB3 H 1 2.424 0.004 . 1 1.00 . . . 80 GLU HB3 . 16361 1 865 . 1 1 80 80 GLU HG2 H 1 2.565 0.003 . 1 1.00 . . . 80 GLU HG2 . 16361 1 866 . 1 1 80 80 GLU HG3 H 1 2.497 0.042 . 1 1.00 . . . 80 GLU HG3 . 16361 1 867 . 1 1 80 80 GLU CA C 13 58.751 0.013 . 1 1.00 . . . 80 GLU CA . 16361 1 868 . 1 1 80 80 GLU CB C 13 32.559 0.003 . 1 1.00 . . . 80 GLU CB . 16361 1 869 . 1 1 80 80 GLU CG C 13 37.710 0.000 . 1 1.00 . . . 80 GLU CG . 16361 1 870 . 1 1 80 80 GLU N N 15 119.154 0.000 . 1 1.00 . . . 80 GLU N . 16361 1 871 . 1 1 81 81 LEU H H 1 8.477 0.000 . 1 1.00 . . . 81 LEU H . 16361 1 872 . 1 1 81 81 LEU HA H 1 3.650 0.011 . 1 1.00 . . . 81 LEU HA . 16361 1 873 . 1 1 81 81 LEU HB2 H 1 2.201 0.016 . 1 1.00 . . . 81 LEU HB2 . 16361 1 874 . 1 1 81 81 LEU HB3 H 1 1.500 0.001 . 1 1.00 . . . 81 LEU HB3 . 16361 1 875 . 1 1 81 81 LEU HD11 H 1 0.869 0.000 . 1 1.00 . . . 81 LEU HD1 . 16361 1 876 . 1 1 81 81 LEU HD12 H 1 0.869 0.000 . 1 1.00 . . . 81 LEU HD1 . 16361 1 877 . 1 1 81 81 LEU HD13 H 1 0.869 0.000 . 1 1.00 . . . 81 LEU HD1 . 16361 1 878 . 1 1 81 81 LEU HD21 H 1 0.540 0.000 . 1 1.00 . . . 81 LEU HD2 . 16361 1 879 . 1 1 81 81 LEU HD22 H 1 0.540 0.000 . 1 1.00 . . . 81 LEU HD2 . 16361 1 880 . 1 1 81 81 LEU HD23 H 1 0.540 0.000 . 1 1.00 . . . 81 LEU HD2 . 16361 1 881 . 1 1 81 81 LEU HG H 1 1.412 0.003 . 1 1.00 . . . 81 LEU HG . 16361 1 882 . 1 1 81 81 LEU CA C 13 57.595 0.033 . 1 1.00 . . . 81 LEU CA . 16361 1 883 . 1 1 81 81 LEU CB C 13 41.414 0.012 . 1 1.00 . . . 81 LEU CB . 16361 1 884 . 1 1 81 81 LEU CD1 C 13 25.995 0.000 . 1 1.00 . . . 81 LEU CD1 . 16361 1 885 . 1 1 81 81 LEU CD2 C 13 23.783 0.000 . 1 1.00 . . . 81 LEU CD2 . 16361 1 886 . 1 1 81 81 LEU CG C 13 27.026 0.000 . 1 1.00 . . . 81 LEU CG . 16361 1 887 . 1 1 81 81 LEU N N 15 121.499 0.000 . 1 1.00 . . . 81 LEU N . 16361 1 888 . 1 1 82 82 THR H H 1 8.377 0.000 . 1 1.00 . . . 82 THR H . 16361 1 889 . 1 1 82 82 THR HA H 1 3.675 0.000 . 1 1.00 . . . 82 THR HA . 16361 1 890 . 1 1 82 82 THR HB H 1 4.293 0.000 . 1 1.00 . . . 82 THR HB . 16361 1 891 . 1 1 82 82 THR HG21 H 1 1.220 0.000 . 1 1.00 . . . 82 THR HG2 . 16361 1 892 . 1 1 82 82 THR HG22 H 1 1.220 0.000 . 1 1.00 . . . 82 THR HG2 . 16361 1 893 . 1 1 82 82 THR HG23 H 1 1.220 0.000 . 1 1.00 . . . 82 THR HG2 . 16361 1 894 . 1 1 82 82 THR CA C 13 67.319 0.000 . 1 1.00 . . . 82 THR CA . 16361 1 895 . 1 1 82 82 THR CB C 13 68.498 0.000 . 1 1.00 . . . 82 THR CB . 16361 1 896 . 1 1 82 82 THR CG2 C 13 21.726 0.000 . 1 1.00 . . . 82 THR CG2 . 16361 1 897 . 1 1 82 82 THR N N 15 115.349 0.000 . 1 1.00 . . . 82 THR N . 16361 1 898 . 1 1 83 83 MET H H 1 7.385 0.000 . 1 1.00 . . . 83 MET H . 16361 1 899 . 1 1 83 83 MET HA H 1 4.164 0.026 . 1 1.00 . . . 83 MET HA . 16361 1 900 . 1 1 83 83 MET HB2 H 1 2.717 0.000 . 1 1.00 . . . 83 MET HB2 . 16361 1 901 . 1 1 83 83 MET HB3 H 1 2.267 0.021 . 1 1.00 . . . 83 MET HB3 . 16361 1 902 . 1 1 83 83 MET HE1 H 1 2.182 0.000 . 1 1.00 . . . 83 MET HE . 16361 1 903 . 1 1 83 83 MET HE2 H 1 2.182 0.000 . 1 1.00 . . . 83 MET HE . 16361 1 904 . 1 1 83 83 MET HE3 H 1 2.182 0.000 . 1 1.00 . . . 83 MET HE . 16361 1 905 . 1 1 83 83 MET HG2 H 1 2.724 0.000 . 2 1.00 . . . 83 MET HG2 . 16361 1 906 . 1 1 83 83 MET HG3 H 1 2.724 0.000 . 2 1.00 . . . 83 MET HG3 . 16361 1 907 . 1 1 83 83 MET CA C 13 58.409 0.134 . 1 1.00 . . . 83 MET CA . 16361 1 908 . 1 1 83 83 MET CB C 13 31.793 0.000 . 1 1.00 . . . 83 MET CB . 16361 1 909 . 1 1 83 83 MET CE C 13 17.089 0.000 . 1 1.00 . . . 83 MET CE . 16361 1 910 . 1 1 83 83 MET CG C 13 32.120 0.000 . 1 1.00 . . . 83 MET CG . 16361 1 911 . 1 1 83 83 MET N N 15 121.062 0.000 . 1 1.00 . . . 83 MET N . 16361 1 912 . 1 1 84 84 ALA H H 1 7.902 0.000 . 1 1.00 . . . 84 ALA H . 16361 1 913 . 1 1 84 84 ALA HA H 1 3.139 0.000 . 1 1.00 . . . 84 ALA HA . 16361 1 914 . 1 1 84 84 ALA HB1 H 1 0.773 0.000 . 1 1.00 . . . 84 ALA HB . 16361 1 915 . 1 1 84 84 ALA HB2 H 1 0.773 0.000 . 1 1.00 . . . 84 ALA HB . 16361 1 916 . 1 1 84 84 ALA HB3 H 1 0.773 0.000 . 1 1.00 . . . 84 ALA HB . 16361 1 917 . 1 1 84 84 ALA CA C 13 55.066 0.000 . 1 1.00 . . . 84 ALA CA . 16361 1 918 . 1 1 84 84 ALA CB C 13 18.348 0.000 . 1 1.00 . . . 84 ALA CB . 16361 1 919 . 1 1 84 84 ALA N N 15 123.467 0.000 . 1 1.00 . . . 84 ALA N . 16361 1 920 . 1 1 85 85 MET H H 1 7.721 0.000 . 1 1.00 . . . 85 MET H . 16361 1 921 . 1 1 85 85 MET HA H 1 3.729 0.004 . 1 1.00 . . . 85 MET HA . 16361 1 922 . 1 1 85 85 MET HB2 H 1 2.030 0.000 . 1 1.00 . . . 85 MET HB2 . 16361 1 923 . 1 1 85 85 MET HB3 H 1 1.633 0.009 . 1 1.00 . . . 85 MET HB3 . 16361 1 924 . 1 1 85 85 MET HE1 H 1 1.096 0.000 . 1 1.00 . . . 85 MET HE . 16361 1 925 . 1 1 85 85 MET HE2 H 1 1.096 0.000 . 1 1.00 . . . 85 MET HE . 16361 1 926 . 1 1 85 85 MET HE3 H 1 1.096 0.000 . 1 1.00 . . . 85 MET HE . 16361 1 927 . 1 1 85 85 MET HG2 H 1 2.035 0.000 . 2 1.00 . . . 85 MET HG2 . 16361 1 928 . 1 1 85 85 MET HG3 H 1 2.035 0.000 . 2 1.00 . . . 85 MET HG3 . 16361 1 929 . 1 1 85 85 MET CA C 13 56.883 0.016 . 1 1.00 . . . 85 MET CA . 16361 1 930 . 1 1 85 85 MET CB C 13 32.296 0.000 . 1 1.00 . . . 85 MET CB . 16361 1 931 . 1 1 85 85 MET CE C 13 16.693 0.000 . 1 1.00 . . . 85 MET CE . 16361 1 932 . 1 1 85 85 MET CG C 13 32.167 0.000 . 1 1.00 . . . 85 MET CG . 16361 1 933 . 1 1 85 85 MET N N 15 114.257 0.000 . 1 1.00 . . . 85 MET N . 16361 1 934 . 1 1 86 86 SER H H 1 7.575 0.000 . 1 1.00 . . . 86 SER H . 16361 1 935 . 1 1 86 86 SER HA H 1 4.172 0.000 . 1 1.00 . . . 86 SER HA . 16361 1 936 . 1 1 86 86 SER HB2 H 1 3.751 0.014 . 1 1.00 . . . 86 SER HB2 . 16361 1 937 . 1 1 86 86 SER HB3 H 1 3.716 0.013 . 1 1.00 . . . 86 SER HB3 . 16361 1 938 . 1 1 86 86 SER CA C 13 60.970 0.000 . 1 1.00 . . . 86 SER CA . 16361 1 939 . 1 1 86 86 SER CB C 13 62.848 0.003 . 1 1.00 . . . 86 SER CB . 16361 1 940 . 1 1 86 86 SER N N 15 115.893 0.000 . 1 1.00 . . . 86 SER N . 16361 1 941 . 1 1 87 87 TYR H H 1 7.329 0.000 . 1 1.00 . . . 87 TYR H . 16361 1 942 . 1 1 87 87 TYR HA H 1 4.564 0.011 . 1 1.00 . . . 87 TYR HA . 16361 1 943 . 1 1 87 87 TYR HB2 H 1 3.601 0.000 . 1 1.00 . . . 87 TYR HB2 . 16361 1 944 . 1 1 87 87 TYR HB3 H 1 2.977 0.007 . 1 1.00 . . . 87 TYR HB3 . 16361 1 945 . 1 1 87 87 TYR HD1 H 1 7.250 0.002 . 3 1.00 . . . 87 TYR HD1 . 16361 1 946 . 1 1 87 87 TYR HD2 H 1 7.250 0.002 . 3 1.00 . . . 87 TYR HD2 . 16361 1 947 . 1 1 87 87 TYR HE1 H 1 6.847 0.004 . 3 1.00 . . . 87 TYR HE1 . 16361 1 948 . 1 1 87 87 TYR HE2 H 1 6.847 0.004 . 3 1.00 . . . 87 TYR HE2 . 16361 1 949 . 1 1 87 87 TYR CA C 13 58.353 0.085 . 1 1.00 . . . 87 TYR CA . 16361 1 950 . 1 1 87 87 TYR CB C 13 38.575 0.017 . 1 1.00 . . . 87 TYR CB . 16361 1 951 . 1 1 87 87 TYR CD1 C 13 133.628 0.000 . 3 1.00 . . . 87 TYR CD1 . 16361 1 952 . 1 1 87 87 TYR CD2 C 13 133.628 0.000 . 3 1.00 . . . 87 TYR CD2 . 16361 1 953 . 1 1 87 87 TYR CE1 C 13 118.233 0.000 . 3 1.00 . . . 87 TYR CE1 . 16361 1 954 . 1 1 87 87 TYR CE2 C 13 118.233 0.000 . 3 1.00 . . . 87 TYR CE2 . 16361 1 955 . 1 1 87 87 TYR N N 15 118.512 0.000 . 1 1.00 . . . 87 TYR N . 16361 1 956 . 1 1 88 88 VAL H H 1 7.273 0.000 . 1 1.00 . . . 88 VAL H . 16361 1 957 . 1 1 88 88 VAL HA H 1 4.086 0.000 . 1 1.00 . . . 88 VAL HA . 16361 1 958 . 1 1 88 88 VAL HB H 1 2.128 0.000 . 1 1.00 . . . 88 VAL HB . 16361 1 959 . 1 1 88 88 VAL HG11 H 1 1.095 0.000 . 1 1.00 . . . 88 VAL HG1 . 16361 1 960 . 1 1 88 88 VAL HG12 H 1 1.095 0.000 . 1 1.00 . . . 88 VAL HG1 . 16361 1 961 . 1 1 88 88 VAL HG13 H 1 1.095 0.000 . 1 1.00 . . . 88 VAL HG1 . 16361 1 962 . 1 1 88 88 VAL HG21 H 1 0.970 0.000 . 1 1.00 . . . 88 VAL HG2 . 16361 1 963 . 1 1 88 88 VAL HG22 H 1 0.970 0.000 . 1 1.00 . . . 88 VAL HG2 . 16361 1 964 . 1 1 88 88 VAL HG23 H 1 0.970 0.000 . 1 1.00 . . . 88 VAL HG2 . 16361 1 965 . 1 1 88 88 VAL CA C 13 64.128 0.000 . 1 1.00 . . . 88 VAL CA . 16361 1 966 . 1 1 88 88 VAL CB C 13 32.114 0.000 . 1 1.00 . . . 88 VAL CB . 16361 1 967 . 1 1 88 88 VAL CG1 C 13 23.293 0.000 . 1 1.00 . . . 88 VAL CG1 . 16361 1 968 . 1 1 88 88 VAL CG2 C 13 21.078 0.000 . 1 1.00 . . . 88 VAL CG2 . 16361 1 969 . 1 1 88 88 VAL N N 15 121.968 0.000 . 1 1.00 . . . 88 VAL N . 16361 1 970 . 1 1 89 89 LYS HA H 1 4.699 0.036 . 1 1.00 . . . 89 LYS HA . 16361 1 971 . 1 1 89 89 LYS HB2 H 1 1.957 0.007 . 1 1.00 . . . 89 LYS HB2 . 16361 1 972 . 1 1 89 89 LYS HB3 H 1 1.812 0.015 . 1 1.00 . . . 89 LYS HB3 . 16361 1 973 . 1 1 89 89 LYS HD2 H 1 1.763 0.040 . 2 1.00 . . . 89 LYS HD2 . 16361 1 974 . 1 1 89 89 LYS HD3 H 1 1.763 0.040 . 2 1.00 . . . 89 LYS HD3 . 16361 1 975 . 1 1 89 89 LYS HE2 H 1 3.082 0.005 . 2 1.00 . . . 89 LYS HE2 . 16361 1 976 . 1 1 89 89 LYS HE3 H 1 3.082 0.005 . 2 1.00 . . . 89 LYS HE3 . 16361 1 977 . 1 1 89 89 LYS HG2 H 1 1.564 0.029 . 1 1.00 . . . 89 LYS HG2 . 16361 1 978 . 1 1 89 89 LYS HG3 H 1 1.492 0.018 . 1 1.00 . . . 89 LYS HG3 . 16361 1 979 . 1 1 89 89 LYS CA C 13 55.589 0.016 . 1 1.00 . . . 89 LYS CA . 16361 1 980 . 1 1 89 89 LYS CB C 13 34.596 0.033 . 1 1.00 . . . 89 LYS CB . 16361 1 981 . 1 1 89 89 LYS CD C 13 28.904 0.239 . 1 1.00 . . . 89 LYS CD . 16361 1 982 . 1 1 89 89 LYS CE C 13 42.345 0.000 . 1 1.00 . . . 89 LYS CE . 16361 1 983 . 1 1 89 89 LYS CG C 13 24.620 0.001 . 1 1.00 . . . 89 LYS CG . 16361 1 984 . 1 1 90 90 ASP H H 1 8.535 0.000 . 1 1.00 . . . 90 ASP H . 16361 1 985 . 1 1 90 90 ASP HA H 1 4.578 0.002 . 1 1.00 . . . 90 ASP HA . 16361 1 986 . 1 1 90 90 ASP HB2 H 1 2.955 0.008 . 1 1.00 . . . 90 ASP HB2 . 16361 1 987 . 1 1 90 90 ASP HB3 H 1 2.787 0.007 . 1 1.00 . . . 90 ASP HB3 . 16361 1 988 . 1 1 90 90 ASP CA C 13 54.197 0.117 . 1 1.00 . . . 90 ASP CA . 16361 1 989 . 1 1 90 90 ASP CB C 13 40.226 0.004 . 1 1.00 . . . 90 ASP CB . 16361 1 990 . 1 1 90 90 ASP N N 15 121.828 0.000 . 1 1.00 . . . 90 ASP N . 16361 1 991 . 1 1 91 91 ASP H H 1 8.354 0.000 . 1 1.00 . . . 91 ASP H . 16361 1 992 . 1 1 91 91 ASP HA H 1 4.231 0.000 . 1 1.00 . . . 91 ASP HA . 16361 1 993 . 1 1 91 91 ASP HB2 H 1 3.016 0.002 . 1 1.00 . . . 91 ASP HB2 . 16361 1 994 . 1 1 91 91 ASP HB3 H 1 2.979 0.027 . 1 1.00 . . . 91 ASP HB3 . 16361 1 995 . 1 1 91 91 ASP CA C 13 55.745 0.000 . 1 1.00 . . . 91 ASP CA . 16361 1 996 . 1 1 91 91 ASP CB C 13 39.988 0.003 . 1 1.00 . . . 91 ASP CB . 16361 1 997 . 1 1 91 91 ASP N N 15 112.334 0.000 . 1 1.00 . . . 91 ASP N . 16361 1 998 . 1 1 92 92 ILE H H 1 7.701 0.000 . 1 1.00 . . . 92 ILE H . 16361 1 999 . 1 1 92 92 ILE HA H 1 4.902 0.001 . 1 1.00 . . . 92 ILE HA . 16361 1 1000 . 1 1 92 92 ILE HB H 1 1.937 0.000 . 1 1.00 . . . 92 ILE HB . 16361 1 1001 . 1 1 92 92 ILE HD11 H 1 0.877 0.008 . 1 1.00 . . . 92 ILE HD1 . 16361 1 1002 . 1 1 92 92 ILE HD12 H 1 0.877 0.008 . 1 1.00 . . . 92 ILE HD1 . 16361 1 1003 . 1 1 92 92 ILE HD13 H 1 0.877 0.008 . 1 1.00 . . . 92 ILE HD1 . 16361 1 1004 . 1 1 92 92 ILE HG12 H 1 1.655 0.010 . 1 1.00 . . . 92 ILE HG12 . 16361 1 1005 . 1 1 92 92 ILE HG13 H 1 0.944 0.006 . 1 1.00 . . . 92 ILE HG13 . 16361 1 1006 . 1 1 92 92 ILE HG21 H 1 0.783 0.000 . 1 1.00 . . . 92 ILE HG2 . 16361 1 1007 . 1 1 92 92 ILE HG22 H 1 0.783 0.000 . 1 1.00 . . . 92 ILE HG2 . 16361 1 1008 . 1 1 92 92 ILE HG23 H 1 0.783 0.000 . 1 1.00 . . . 92 ILE HG2 . 16361 1 1009 . 1 1 92 92 ILE CA C 13 60.042 0.017 . 1 1.00 . . . 92 ILE CA . 16361 1 1010 . 1 1 92 92 ILE CB C 13 40.254 0.000 . 1 1.00 . . . 92 ILE CB . 16361 1 1011 . 1 1 92 92 ILE CD1 C 13 13.540 0.000 . 1 1.00 . . . 92 ILE CD1 . 16361 1 1012 . 1 1 92 92 ILE CG1 C 13 27.361 0.067 . 1 1.00 . . . 92 ILE CG1 . 16361 1 1013 . 1 1 92 92 ILE CG2 C 13 17.894 0.000 . 1 1.00 . . . 92 ILE CG2 . 16361 1 1014 . 1 1 92 92 ILE N N 15 118.676 0.000 . 1 1.00 . . . 92 ILE N . 16361 1 1015 . 1 1 93 93 PHE H H 1 9.203 0.000 . 1 1.00 . . . 93 PHE H . 16361 1 1016 . 1 1 93 93 PHE HA H 1 5.326 0.017 . 1 1.00 . . . 93 PHE HA . 16361 1 1017 . 1 1 93 93 PHE HB2 H 1 3.070 0.000 . 1 1.00 . . . 93 PHE HB2 . 16361 1 1018 . 1 1 93 93 PHE HB3 H 1 2.883 0.000 . 1 1.00 . . . 93 PHE HB3 . 16361 1 1019 . 1 1 93 93 PHE HD1 H 1 7.049 0.001 . 3 1.00 . . . 93 PHE HD1 . 16361 1 1020 . 1 1 93 93 PHE HD2 H 1 7.049 0.001 . 3 1.00 . . . 93 PHE HD2 . 16361 1 1021 . 1 1 93 93 PHE HE1 H 1 6.810 0.004 . 3 1.00 . . . 93 PHE HE1 . 16361 1 1022 . 1 1 93 93 PHE HE2 H 1 6.810 0.004 . 3 1.00 . . . 93 PHE HE2 . 16361 1 1023 . 1 1 93 93 PHE HZ H 1 6.264 0.000 . 1 1.00 . . . 93 PHE HZ . 16361 1 1024 . 1 1 93 93 PHE CA C 13 53.501 0.011 . 1 1.00 . . . 93 PHE CA . 16361 1 1025 . 1 1 93 93 PHE CB C 13 40.693 0.000 . 1 1.00 . . . 93 PHE CB . 16361 1 1026 . 1 1 93 93 PHE CD1 C 13 130.149 0.000 . 3 1.00 . . . 93 PHE CD1 . 16361 1 1027 . 1 1 93 93 PHE CD2 C 13 130.149 0.000 . 3 1.00 . . . 93 PHE CD2 . 16361 1 1028 . 1 1 93 93 PHE CE1 C 13 131.033 0.000 . 3 1.00 . . . 93 PHE CE1 . 16361 1 1029 . 1 1 93 93 PHE CE2 C 13 131.033 0.000 . 3 1.00 . . . 93 PHE CE2 . 16361 1 1030 . 1 1 93 93 PHE CZ C 13 128.755 0.000 . 1 1.00 . . . 93 PHE CZ . 16361 1 1031 . 1 1 93 93 PHE N N 15 128.722 0.000 . 1 1.00 . . . 93 PHE N . 16361 1 1032 . 1 1 94 94 ARG H H 1 8.564 0.000 . 1 1.00 . . . 94 ARG H . 16361 1 1033 . 1 1 94 94 ARG HA H 1 5.243 0.009 . 1 1.00 . . . 94 ARG HA . 16361 1 1034 . 1 1 94 94 ARG HB2 H 1 1.973 0.006 . 1 1.00 . . . 94 ARG HB2 . 16361 1 1035 . 1 1 94 94 ARG HB3 H 1 1.650 0.017 . 1 1.00 . . . 94 ARG HB3 . 16361 1 1036 . 1 1 94 94 ARG HD2 H 1 3.452 0.007 . 1 1.00 . . . 94 ARG HD2 . 16361 1 1037 . 1 1 94 94 ARG HD3 H 1 3.395 0.015 . 1 1.00 . . . 94 ARG HD3 . 16361 1 1038 . 1 1 94 94 ARG CA C 13 55.297 0.077 . 1 1.00 . . . 94 ARG CA . 16361 1 1039 . 1 1 94 94 ARG CB C 13 30.842 0.013 . 1 1.00 . . . 94 ARG CB . 16361 1 1040 . 1 1 94 94 ARG CD C 13 43.167 0.003 . 1 1.00 . . . 94 ARG CD . 16361 1 1041 . 1 1 94 94 ARG N N 15 128.659 0.000 . 1 1.00 . . . 94 ARG N . 16361 1 1042 . 1 1 95 95 ILE H H 1 8.524 0.000 . 1 1.00 . . . 95 ILE H . 16361 1 1043 . 1 1 95 95 ILE HA H 1 5.357 0.006 . 1 1.00 . . . 95 ILE HA . 16361 1 1044 . 1 1 95 95 ILE HB H 1 1.742 0.000 . 1 1.00 . . . 95 ILE HB . 16361 1 1045 . 1 1 95 95 ILE HD11 H 1 0.801 0.013 . 1 1.00 . . . 95 ILE HD1 . 16361 1 1046 . 1 1 95 95 ILE HD12 H 1 0.801 0.013 . 1 1.00 . . . 95 ILE HD1 . 16361 1 1047 . 1 1 95 95 ILE HD13 H 1 0.801 0.013 . 1 1.00 . . . 95 ILE HD1 . 16361 1 1048 . 1 1 95 95 ILE HG12 H 1 1.353 0.000 . 2 1.00 . . . 95 ILE HG12 . 16361 1 1049 . 1 1 95 95 ILE HG13 H 1 1.353 0.000 . 2 1.00 . . . 95 ILE HG13 . 16361 1 1050 . 1 1 95 95 ILE HG21 H 1 0.373 0.009 . 1 1.00 . . . 95 ILE HG2 . 16361 1 1051 . 1 1 95 95 ILE HG22 H 1 0.373 0.009 . 1 1.00 . . . 95 ILE HG2 . 16361 1 1052 . 1 1 95 95 ILE HG23 H 1 0.373 0.009 . 1 1.00 . . . 95 ILE HG2 . 16361 1 1053 . 1 1 95 95 ILE CA C 13 58.439 0.031 . 1 1.00 . . . 95 ILE CA . 16361 1 1054 . 1 1 95 95 ILE CB C 13 42.421 0.000 . 1 1.00 . . . 95 ILE CB . 16361 1 1055 . 1 1 95 95 ILE CD1 C 13 15.119 0.000 . 1 1.00 . . . 95 ILE CD1 . 16361 1 1056 . 1 1 95 95 ILE CG1 C 13 25.836 0.000 . 1 1.00 . . . 95 ILE CG1 . 16361 1 1057 . 1 1 95 95 ILE CG2 C 13 18.018 0.000 . 1 1.00 . . . 95 ILE CG2 . 16361 1 1058 . 1 1 95 95 ILE N N 15 114.673 0.000 . 1 1.00 . . . 95 ILE N . 16361 1 1059 . 1 1 96 96 TYR H H 1 9.184 0.000 . 1 1.00 . . . 96 TYR H . 16361 1 1060 . 1 1 96 96 TYR HA H 1 5.289 0.003 . 1 1.00 . . . 96 TYR HA . 16361 1 1061 . 1 1 96 96 TYR HB2 H 1 2.703 0.000 . 1 1.00 . . . 96 TYR HB2 . 16361 1 1062 . 1 1 96 96 TYR HB3 H 1 2.551 0.000 . 1 1.00 . . . 96 TYR HB3 . 16361 1 1063 . 1 1 96 96 TYR HD1 H 1 6.755 0.003 . 3 1.00 . . . 96 TYR HD1 . 16361 1 1064 . 1 1 96 96 TYR HD2 H 1 6.755 0.003 . 3 1.00 . . . 96 TYR HD2 . 16361 1 1065 . 1 1 96 96 TYR HE1 H 1 6.195 0.003 . 3 1.00 . . . 96 TYR HE1 . 16361 1 1066 . 1 1 96 96 TYR HE2 H 1 6.195 0.003 . 3 1.00 . . . 96 TYR HE2 . 16361 1 1067 . 1 1 96 96 TYR CA C 13 56.997 0.036 . 1 1.00 . . . 96 TYR CA . 16361 1 1068 . 1 1 96 96 TYR CB C 13 40.868 0.023 . 1 1.00 . . . 96 TYR CB . 16361 1 1069 . 1 1 96 96 TYR CD1 C 13 132.929 0.000 . 3 1.00 . . . 96 TYR CD1 . 16361 1 1070 . 1 1 96 96 TYR CD2 C 13 132.929 0.000 . 3 1.00 . . . 96 TYR CD2 . 16361 1 1071 . 1 1 96 96 TYR CE1 C 13 117.973 0.000 . 3 1.00 . . . 96 TYR CE1 . 16361 1 1072 . 1 1 96 96 TYR CE2 C 13 117.973 0.000 . 3 1.00 . . . 96 TYR CE2 . 16361 1 1073 . 1 1 96 96 TYR N N 15 121.300 0.000 . 1 1.00 . . . 96 TYR N . 16361 1 1074 . 1 1 97 97 ILE H H 1 9.917 0.000 . 1 1.00 . . . 97 ILE H . 16361 1 1075 . 1 1 97 97 ILE HA H 1 4.951 0.000 . 1 1.00 . . . 97 ILE HA . 16361 1 1076 . 1 1 97 97 ILE HB H 1 1.736 0.000 . 1 1.00 . . . 97 ILE HB . 16361 1 1077 . 1 1 97 97 ILE HD11 H 1 0.524 0.000 . 1 1.00 . . . 97 ILE HD1 . 16361 1 1078 . 1 1 97 97 ILE HD12 H 1 0.524 0.000 . 1 1.00 . . . 97 ILE HD1 . 16361 1 1079 . 1 1 97 97 ILE HD13 H 1 0.524 0.000 . 1 1.00 . . . 97 ILE HD1 . 16361 1 1080 . 1 1 97 97 ILE HG12 H 1 1.118 0.000 . 2 1.00 . . . 97 ILE HG12 . 16361 1 1081 . 1 1 97 97 ILE HG13 H 1 1.118 0.000 . 2 1.00 . . . 97 ILE HG13 . 16361 1 1082 . 1 1 97 97 ILE HG21 H 1 0.547 0.000 . 1 1.00 . . . 97 ILE HG2 . 16361 1 1083 . 1 1 97 97 ILE HG22 H 1 0.547 0.000 . 1 1.00 . . . 97 ILE HG2 . 16361 1 1084 . 1 1 97 97 ILE HG23 H 1 0.547 0.000 . 1 1.00 . . . 97 ILE HG2 . 16361 1 1085 . 1 1 97 97 ILE CA C 13 59.649 0.000 . 1 1.00 . . . 97 ILE CA . 16361 1 1086 . 1 1 97 97 ILE CB C 13 39.017 0.000 . 1 1.00 . . . 97 ILE CB . 16361 1 1087 . 1 1 97 97 ILE CD1 C 13 13.062 0.000 . 1 1.00 . . . 97 ILE CD1 . 16361 1 1088 . 1 1 97 97 ILE CG1 C 13 27.395 0.000 . 1 1.00 . . . 97 ILE CG1 . 16361 1 1089 . 1 1 97 97 ILE CG2 C 13 19.687 0.000 . 1 1.00 . . . 97 ILE CG2 . 16361 1 1090 . 1 1 97 97 ILE N N 15 128.092 0.000 . 1 1.00 . . . 97 ILE N . 16361 1 1091 . 1 1 98 98 LYS H H 1 8.661 0.000 . 1 1.00 . . . 98 LYS H . 16361 1 1092 . 1 1 98 98 LYS HA H 1 4.951 0.004 . 1 1.00 . . . 98 LYS HA . 16361 1 1093 . 1 1 98 98 LYS HB2 H 1 2.028 0.005 . 1 1.00 . . . 98 LYS HB2 . 16361 1 1094 . 1 1 98 98 LYS HB3 H 1 1.658 0.000 . 1 1.00 . . . 98 LYS HB3 . 16361 1 1095 . 1 1 98 98 LYS HD2 H 1 1.588 0.006 . 1 1.00 . . . 98 LYS HD2 . 16361 1 1096 . 1 1 98 98 LYS HD3 H 1 1.516 0.004 . 1 1.00 . . . 98 LYS HD3 . 16361 1 1097 . 1 1 98 98 LYS HE2 H 1 2.784 0.008 . 1 1.00 . . . 98 LYS HE2 . 16361 1 1098 . 1 1 98 98 LYS HE3 H 1 2.484 0.004 . 1 1.00 . . . 98 LYS HE3 . 16361 1 1099 . 1 1 98 98 LYS HG2 H 1 1.479 0.012 . 1 1.00 . . . 98 LYS HG2 . 16361 1 1100 . 1 1 98 98 LYS HG3 H 1 1.232 0.010 . 1 1.00 . . . 98 LYS HG3 . 16361 1 1101 . 1 1 98 98 LYS CA C 13 54.575 0.088 . 1 1.00 . . . 98 LYS CA . 16361 1 1102 . 1 1 98 98 LYS CB C 13 36.510 0.006 . 1 1.00 . . . 98 LYS CB . 16361 1 1103 . 1 1 98 98 LYS CD C 13 29.454 0.009 . 1 1.00 . . . 98 LYS CD . 16361 1 1104 . 1 1 98 98 LYS CE C 13 41.701 0.000 . 1 1.00 . . . 98 LYS CE . 16361 1 1105 . 1 1 98 98 LYS CG C 13 25.776 0.002 . 1 1.00 . . . 98 LYS CG . 16361 1 1106 . 1 1 98 98 LYS N N 15 123.710 0.000 . 1 1.00 . . . 98 LYS N . 16361 1 1107 . 1 1 99 99 GLU H H 1 9.164 0.000 . 1 1.00 . . . 99 GLU H . 16361 1 1108 . 1 1 99 99 GLU HA H 1 4.375 0.009 . 1 1.00 . . . 99 GLU HA . 16361 1 1109 . 1 1 99 99 GLU HB2 H 1 2.204 0.003 . 1 1.00 . . . 99 GLU HB2 . 16361 1 1110 . 1 1 99 99 GLU HB3 H 1 1.975 0.004 . 1 1.00 . . . 99 GLU HB3 . 16361 1 1111 . 1 1 99 99 GLU HG2 H 1 2.279 0.000 . 2 1.00 . . . 99 GLU HG2 . 16361 1 1112 . 1 1 99 99 GLU HG3 H 1 2.279 0.000 . 2 1.00 . . . 99 GLU HG3 . 16361 1 1113 . 1 1 99 99 GLU CA C 13 57.766 0.077 . 1 1.00 . . . 99 GLU CA . 16361 1 1114 . 1 1 99 99 GLU CB C 13 31.097 0.001 . 1 1.00 . . . 99 GLU CB . 16361 1 1115 . 1 1 99 99 GLU CG C 13 38.021 0.000 . 1 1.00 . . . 99 GLU CG . 16361 1 1116 . 1 1 99 99 GLU N N 15 124.588 0.000 . 1 1.00 . . . 99 GLU N . 16361 1 1117 . 1 1 100 100 LYS H H 1 7.834 0.000 . 1 1.00 . . . 100 LYS H . 16361 1 1118 . 1 1 100 100 LYS HA H 1 4.151 0.017 . 1 1.00 . . . 100 LYS HA . 16361 1 1119 . 1 1 100 100 LYS HB2 H 1 1.788 0.008 . 1 1.00 . . . 100 LYS HB2 . 16361 1 1120 . 1 1 100 100 LYS HB3 H 1 1.514 0.008 . 1 1.00 . . . 100 LYS HB3 . 16361 1 1121 . 1 1 100 100 LYS HD2 H 1 1.587 0.007 . 2 1.00 . . . 100 LYS HD2 . 16361 1 1122 . 1 1 100 100 LYS HD3 H 1 1.587 0.007 . 2 1.00 . . . 100 LYS HD3 . 16361 1 1123 . 1 1 100 100 LYS HE2 H 1 2.825 0.000 . 2 1.00 . . . 100 LYS HE2 . 16361 1 1124 . 1 1 100 100 LYS HE3 H 1 2.825 0.000 . 2 1.00 . . . 100 LYS HE3 . 16361 1 1125 . 1 1 100 100 LYS HG2 H 1 1.265 0.010 . 1 1.00 . . . 100 LYS HG2 . 16361 1 1126 . 1 1 100 100 LYS HG3 H 1 1.185 0.009 . 1 1.00 . . . 100 LYS HG3 . 16361 1 1127 . 1 1 100 100 LYS CA C 13 58.111 0.038 . 1 1.00 . . . 100 LYS CA . 16361 1 1128 . 1 1 100 100 LYS CB C 13 34.034 0.034 . 1 1.00 . . . 100 LYS CB . 16361 1 1129 . 1 1 100 100 LYS CD C 13 29.503 0.000 . 1 1.00 . . . 100 LYS CD . 16361 1 1130 . 1 1 100 100 LYS CE C 13 41.949 0.000 . 1 1.00 . . . 100 LYS CE . 16361 1 1131 . 1 1 100 100 LYS CG C 13 25.316 0.001 . 1 1.00 . . . 100 LYS CG . 16361 1 1132 . 1 1 100 100 LYS N N 15 128.282 0.000 . 1 1.00 . . . 100 LYS N . 16361 1 stop_ save_